N5+: A Novel Homoleptic Polynitrogen Ion as a High Energy Density Material
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journal
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July 1999 |
Stability and energetics of metastable molecules: tetraazatetrahedrane (N4), hexaazabenzene (N6), and octaazacubane (N8)
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February 1992 |
Besides N2, What Is the Most Stable Molecule Composed Only of Nitrogen Atoms?
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January 1996 |
Calculations predict a stable molecular crystal of N8
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December 2013 |
Low-pressure metastable phase of single-bonded polymeric nitrogen from a helical structure motif and first-principles calculations
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April 2007 |
Polymeric nitrogen
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December 1992 |
Structure and Stability of N6 Isomers and Their Spectroscopic Characteristics
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March 2001 |
All-nitrogen chemistry: how far are we from N 60 ?
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October 2006 |
Casting a new light on azide photochemistry: photolytic production of cyclic-N3
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January 2007 |
Single-bonded cubic form of nitrogen
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July 2004 |
Stabilization of the Pseudo-Benzene N6 Ring with Oxygen
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journal
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July 2001 |
High-Pressure Bonding Mechanism of Selenium Nitrides
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February 2019 |
Pressure-induced stable BeN 4 as a high-energy density material
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October 2017 |
Nitrogen-rich GaN5 and GaN6 as high energy density materials with modest synthesis condition
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journal
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October 2019 |
Simple Route to Metal cyclo -N 5 – Salt: High-Pressure Synthesis of CuN 5
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journal
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September 2018 |
Diverse ruthenium nitrides stabilized under pressure: a theoretical prediction
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September 2016 |
N6 ring as a planar hexagonal ligand in novel M(η6-N6) species
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June 2002 |
Pressure-stabilized hafnium nitrides and their properties
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journal
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January 2017 |
Computational Search for Novel Hard Chromium-Based Materials
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journal
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January 2017 |
Emergence of Novel Polynitrogen Molecule-like Species, Covalent Chains, and Layers in Magnesium–Nitrogen Mg x N y Phases under High Pressure
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journal
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May 2017 |
Barium–Nitrogen Phases Under Pressure: Emergence of Structural Diversity and Nitrogen-Rich Compounds
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journal
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October 2018 |
Synthesis and characterization of the pentazolate anion cyclo -N 5 ˉ in (N 5 ) 6 (H 3 O) 3 (NH 4 ) 4 Cl
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journal
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January 2017 |
A series of energetic metal pentazolate hydrates
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journal
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August 2017 |
Syntheses, Crystal Structures and Properties of a Series of 3D Metal–Inorganic Frameworks Containing Pentazolate Anion
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May 2018 |
Synthesis of AgN5 and its extended 3D energetic framework
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March 2018 |
Stabilization of the Pentazolate Anion in a Zeolitic Architecture with Na 20 N 60 and Na 24 N 60 Nanocages
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journal
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February 2018 |
Recent research on the synthesis pentazolate anion cyclo-N5−
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March 2021 |
Polynitrogen chemistry enters the ring
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January 2017 |
Review of the Current Synthesis and Properties of Energetic Pentazolate and Derivatives Thereof
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journal
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September 2020 |
Theoretical perspective on the reaction mechanism from arylpentazenes to arylpentazoles: new insights into the enhancement of cyclo-N5 production
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January 2019 |
Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains
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July 2018 |
Synthesis of magnesium-nitrogen salts of polynitrogen anions
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October 2019 |
High-Pressure Synthesis of Dirac Materials: Layered van der Waals Bonded Polymorph
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journal
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April 2021 |
Stabilization of Polynitrogen Anions in Tantalum–Nitrogen Compounds at High Pressure
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March 2021 |
High-Pressure Synthesis of a Nitrogen-Rich Inclusion Compound ReN 8 ⋅ x N 2 with Conjugated Polymeric Nitrogen Chains
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journal
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June 2018 |
High‐Pressure Synthesis of Metal–Inorganic Frameworks Hf 4 N 20 ⋅N 2 , WN 8 ⋅N 2 , and Os 5 N 28 ⋅3 N 2 with Polymeric Nitrogen Linkers
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journal
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May 2020 |
Tungsten Hexanitride with Single-Bonded Armchairlike Hexazine Structure at High Pressure
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journal
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February 2021 |
Polymerization of nitrogen in cesium azide under modest pressure
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journal
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July 2014 |
Crystalline LiN 5 Predicted from First-Principles as a Possible High-Energy Material
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journal
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June 2015 |
Novel lithium-nitrogen compounds at ambient and high pressures
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journal
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September 2015 |
Sodium pentazolate: A nitrogen rich high energy density material
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journal
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January 2016 |
Novel Potassium Polynitrides at High Pressures
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journal
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November 2017 |
Pressure-Stabilized High-Energy-Density Alkaline-Earth-Metal Pentazolate Salts
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journal
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April 2019 |
Pressure-induced planar N6 rings in potassium azide
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journal
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March 2014 |
High-Pressure Synthesis of a Pentazolate Salt
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journal
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December 2016 |
Evolving Structural Diversity and Metallicity in Compressed Lithium Azide
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journal
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September 2013 |
Pressure-induced polymerization of nitrogen in potassium azides
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journal
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October 2013 |
Polymerization of nitrogen in lithium azide
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journal
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October 2013 |
Novel high-pressure phase with pseudo-benzene “N 6 ” molecule of LiN 3
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journal
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January 2013 |
Structural and electronic properties of sodium azide at high pressure: A first principles study
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journal
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May 2013 |
Polymerization of Nitrogen in Ammonium Azide at High Pressures
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journal
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October 2015 |
A new high-pressure polymeric nitrogen phase in potassium azide
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journal
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January 2015 |
High-Pressure Synthesized Lithium Pentazolate Compound Metastable under Ambient Conditions
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journal
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March 2018 |
Direct Reaction of Nitrogen and Lithium up to 75 GPa: Synthesis of the Li 3 N, LiN, LiN 2 , and LiN 5 Compounds
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journal
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August 2018 |
Stabilization of pentazolate anions in the high-pressure compounds Na 2 N 5 and NaN 5 and in the sodium pentazolate framework NaN 5 ·N 2
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journal
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January 2021 |
Polymerization of nitrogen in sodium azide
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journal
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June 2004 |
Phase stability of lithium azide at pressures up to 60 GPa
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journal
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April 2009 |
Pressure-induced series of phase transitions in sodium azide
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journal
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January 2013 |
Pressure-induced phase transition in potassium azide up to 55 GPa
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journal
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June 2012 |
High pressure X-ray diffraction study of potassium azide
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journal
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June 2011 |
Photochemistry within Compressed Sodium Azide
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journal
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December 2016 |
Dinitrogen as a Universal Electron Acceptor in Solid-State Chemistry: An Example of Uncommon Metallic Compounds Na 3 (N 2 ) 4 and NaN 2
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journal
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October 2020 |
Phase transition and structure of silver azide at high pressure
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journal
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July 2011 |
Pressure-Induced Symmetry-Lowering Transition in Dense Nitrogen to Layered Polymeric Nitrogen (LP-N) with Colossal Raman Intensity
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journal
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November 2014 |
High pressure x‐ray diffraction studies on solid N 2 up to 43.9 GPa
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journal
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December 1990 |
BX90: A new diamond anvil cell design for X-ray diffraction and optical measurements
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journal
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December 2012 |
New diamond cell for single-crystal x-ray diffraction
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journal
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November 2006 |
Advanced flat top laser heating system for high pressure research at GSECARS: application to the melting behavior of germanium
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journal
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September 2008 |
Polymorphism of polymeric nitrogen at high pressures
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journal
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June 2020 |
Backbone NxH compounds at high pressures
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journal
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June 2015 |
Advanced integrated optical spectroscopy system for diamond anvil cell studies at GSECARS
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journal
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July 2019 |
SHELXT – Integrated space-group and crystal-structure determination
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journal
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January 2015 |
Crystal structure refinement with SHELXL
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journal
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January 2015 |
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration
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journal
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May 2015 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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journal
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October 1996 |
Generalized Gradient Approximation Made Simple
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journal
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October 1996 |
First principles phonon calculations in materials science
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journal
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November 2015 |
sumo: Command-line tools for plotting and analysis of periodic ab initio calculations
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journal
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August 2018 |
Matching crystal structures atom-to-atom
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journal
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February 2020 |
Predicting kinetics of polymorphic transformations from structure mapping and coordination analysis
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journal
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March 2018 |
Algorithm for generating derivative structures
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journal
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June 2008 |
Variable cell nudged elastic band method for studying solid–solid structural phase transitions
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journal
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September 2013 |
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
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journal
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June 2006 |
How Evolutionary Crystal Structure Prediction Works—and Why
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journal
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March 2011 |
Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials
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journal
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January 2010 |
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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journal
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December 2000 |
Inhomogeneous Electron Gas
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journal
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November 1964 |
Self-Consistent Equations Including Exchange and Correlation Effects
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journal
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November 1965 |
Projector augmented-wave method
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journal
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December 1994 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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journal
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January 1999 |
Ab initiomolecular dynamics for liquid metals
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journal
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January 1993 |
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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journal
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May 1994 |
Special points for Brillouin-zone integrations
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journal
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June 1976 |
Enthalpy Profiles. Figures S5, S6.zip
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text
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January 2022 |
Details of theoretical calculations of the electronic and phonon band structure of novel high-pressure K2N6
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text
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January 2022 |
K2N6_50GPa
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dataset
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January 2022 |