cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1698546
title: Materials Data on Li2MnCoO4 by Materials Project

description: Li2MnCoO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent CoO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 4–6°. There are four shorter (2.11 Å) and two longer (2.29 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three equivalent MnO6 octahedra, corners with three equivalent CoO6 octahedra, edges with three equivalent MnO6 octahedra, edges with three equivalent CoO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. There are a spread of Li–O bond distances ranging from 2.08–2.25 Å. In the third Li1+ site, Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 6–7°. All Li–O bond lengths are 2.16 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. There are a spread of Mn–O bond distances ranging from 1.96–2.25 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 2–6°. There are a spread of Co–O bond distances ranging from 2.02–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Co4+ atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Co4+ atoms to form a mixture of corner and edge-sharing OLi3Co3 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the third O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Mn2+ atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the fourth O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Mn2+ atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedra tilt angles range from 0–4°.
DOI: 10.5517/ccdc.csd.cc26jtzk
title: CCDC 2041969: Experimental Crystal Structure Determination

description: Related Article: André Schumann, Jonas Bresien, Malte Fischer, Christian Hering-Junghans|2021|Chem.Commun.|57|1014|doi:10.1039/D0CC07533G
DOI: 10.5517/ccdc.csd.cc26jv0m
title: CCDC 2041970: Experimental Crystal Structure Determination

description: Related Article: André Schumann, Jonas Bresien, Malte Fischer, Christian Hering-Junghans|2021|Chem.Commun.|57|1014|doi:10.1039/D0CC07533G
DOI: 10.17188/1698547
title: Materials Data on Co2O3F by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.5517/ccdc.csd.cc26jv1n
title: CCDC 2041971: Experimental Crystal Structure Determination

description: Related Article: André Schumann, Jonas Bresien, Malte Fischer, Christian Hering-Junghans|2021|Chem.Commun.|57|1014|doi:10.1039/D0CC07533G
DOI: 10.17188/1698548
title: Materials Data on FeOF by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1698549
title: Materials Data on V2OF5 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1698553
title: Materials Data on RbFeCuF6 by Materials Project

description: RbFeCuF6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded to six F1- atoms to form RbF6 octahedra that share corners with six equivalent FeF6 octahedra and corners with six equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 65–71°. There are a spread of Rb–F bond distances ranging from 3.11–3.38 Å. Fe3+ is bonded to six F1- atoms to form FeF6 octahedra that share corners with two equivalent FeF6 octahedra, corners with four equivalent CuF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 39–71°. There is four shorter (1.94 Å) and two longer (2.01 Å) Fe–F bond length. Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with two equivalent CuF6 octahedra, corners with four equivalent FeF6 octahedra, and corners with six equivalent RbF6 octahedra. The corner-sharing octahedra tilt angles range from 45–68°. There are two shorter (1.92 Å) and four longer (2.09 Å) Cu–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent Fe3+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+ and two equivalent Cu2+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+, one Fe3+, and one Cu2+ atom.
DOI: 10.5517/ccdc.csd.cc23x8gs
title: CCDC 1963585: Experimental Crystal Structure Determination

description: Related Article: Muhammad Naeem Ahmed, Muneeba Arif, Hina Andleeb, Syed Wadood Ali Shah, Ifzan Arshad, Muhammad Nawaz Tahir, Mariana Rocha, Diego M. Gil|2021|CrystEngComm|23|955|doi:10.1039/D0CE01402H
DOI: 10.17188/1698554
title: Materials Data on AcCdAu2 by Materials Project

description: AcAu2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Ac–Au bond lengths are 3.21 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ac and four equivalent Cd atoms. All Au–Cd bond lengths are 3.21 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1698555
title: Materials Data on K2ZnH12(SO7)2 by Materials Project

description: K2ZnH12(SO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to one H1+ and eight O2- atoms. The K–H bond length is 2.97 Å. There are a spread of K–O bond distances ranging from 2.64–3.28 Å. Zn2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.92 Å) and two longer (2.16 Å) Zn–O bond lengths. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.76 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a distorted single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 1.00 Å. S6+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.47 Å) and one longer (1.48 Å) S–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one K1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to two equivalent K1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+, one H1+, and one O2- atom. The O–O bond length is 1.45 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one K1+, one H1+, and one O2- atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Zn2+, and one H1+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom.
DOI: 10.5517/ccdc.csd.cc26nph2
title: CCDC 2045674: Experimental Crystal Structure Determination

description: Related Article: Takumi Nakazato, Hiroshi Shinokubo, Yoshihiro Miyake|2021|Chem.Commun.|57|327|doi:10.1039/D0CC07804B
DOI: 10.5517/ccdc.csd.cc26npj3
title: CCDC 2045675: Experimental Crystal Structure Determination

description: Related Article: Takumi Nakazato, Hiroshi Shinokubo, Yoshihiro Miyake|2021|Chem.Commun.|57|327|doi:10.1039/D0CC07804B
DOI: 10.17188/1698557
title: Materials Data on CaPO6 by Materials Project

description: CaPO4O2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four oxygen molecules and two CaPO4 sheets oriented in the (0, 1, 0) direction. In each CaPO4 sheet, Ca is bonded to six O atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent PO4 tetrahedra, edges with two equivalent CaO6 pentagonal pyramids, and edges with two equivalent PO4 tetrahedra. There are two shorter (2.30 Å) and four longer (2.46 Å) Ca–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent CaO6 pentagonal pyramids and edges with two equivalent CaO6 pentagonal pyramids. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Ca and one P atom. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Ca and one P atom.
DOI: 10.17188/1698558
title: Materials Data on V4CoCuO12 by Materials Project

description: V4CoCuO12 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one CoO6 octahedra, corners with two equivalent CuO6 octahedra, and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–59°. There are a spread of V–O bond distances ranging from 1.69–1.79 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one CuO6 octahedra, corners with two equivalent CoO6 octahedra, and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 29–65°. There are a spread of V–O bond distances ranging from 1.69–1.81 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six VO4 tetrahedra and edges with two equivalent CuO6 octahedra. There are a spread of Co–O bond distances ranging from 1.95–2.26 Å. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with six VO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.95–2.49 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+, one Co2+, and one Cu2+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Cu2+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one V5+, one Co2+, and one Cu2+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Co2+ atom.
DOI: 10.17188/1698559
title: Materials Data on SrMg3O4 by Materials Project

description: SrMg3O4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.56 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.37 Å) and four longer (2.39 Å) Mg–O bond lengths. In the second Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Mg–O bond lengths are 2.39 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a body-centered cubic geometry to four equivalent Sr2+ and four equivalent Mg2+ atoms. In the second O2- site, O2- is bonded in a body-centered cubic geometry to eight Mg2+ atoms.
DOI: 10.17188/1698560
title: Materials Data on Sr2YCrCu2O7 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1698561
title: Materials Data on ZrBeO3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.5517/ccdc.csd.cc26250h
title: CCDC 2027865: Experimental Crystal Structure Determination

description: Related Article: Xin-Ying Wang, Wei-Chao Chen, Kui-Zhan Shao, Xin-Long Wang, Liang Zhao, Zhong-Min Su|2021|Chem.Commun.|57|1042|doi:10.1039/D0CC07120J
DOI: 10.17188/1698562
title: Materials Data on CrCuSnS4 by Materials Project

description: CrCuSnS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with six equivalent CuS4 tetrahedra, edges with two equivalent CrS6 octahedra, and edges with four equivalent SnS6 octahedra. There are two shorter (2.42 Å) and four longer (2.45 Å) Cr–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with six equivalent CrS6 octahedra and corners with six equivalent SnS6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are two shorter (2.30 Å) and two longer (2.34 Å) Cu–S bond lengths. Sn4+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with six equivalent CuS4 tetrahedra, edges with two equivalent SnS6 octahedra, and edges with four equivalent CrS6 octahedra. All Sn–S bond lengths are 2.58 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Cr3+, one Cu1+, and two equivalent Sn4+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Cr3+, one Cu1+, and one Sn4+ atom.
DOI: 10.5517/ccdc.csd.cc26rvd7
title: CCDC 2048709: Experimental Crystal Structure Determination

description: Related Article: Xue-Ping Chen, Ke-Qiang Hou, Feng Zhou, Albert S. C. Chan, Xiao-Feng Xiong|2021|J.Org.Chem.|86|1667|doi:10.1021/acs.joc.0c02499
DOI: 10.17188/1698563
title: Materials Data on ZnSi2WO6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.5517/ccdc.csd.cc26251j
title: CCDC 2027866: Experimental Crystal Structure Determination

description: Related Article: Xin-Ying Wang, Wei-Chao Chen, Kui-Zhan Shao, Xin-Long Wang, Liang Zhao, Zhong-Min Su|2021|Chem.Commun.|57|1042|doi:10.1039/D0CC07120J
DOI: 10.17188/1698564
title: Materials Data on MgTiSn(PO4)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.5517/ccdc.csd.cc26yp2y
title: CCDC 2054310: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, S.T. Liddle|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc26yx9d
title: CCDC 2054534: Experimental Crystal Structure Determination

description: Related Article: Senjie Ma, Christopher K. Hill, Casey L. Olen, John F. Hartwig|2020|J.Am.Chem.Soc.|143|359|doi:10.1021/jacs.0c11043
DOI: 10.17188/1698566
title: Materials Data on Tm2S3O20 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.5517/ccdc.csd.cc26yxbf
title: CCDC 2054535: Experimental Crystal Structure Determination

description: Related Article: Senjie Ma, Christopher K. Hill, Casey L. Olen, John F. Hartwig|2020|J.Am.Chem.Soc.|143|359|doi:10.1021/jacs.0c11043
DOI: 10.5517/ccdc.csd.cc26yxcg
title: CCDC 2054536: Experimental Crystal Structure Determination

description: Related Article: Senjie Ma, Christopher K. Hill, Casey L. Olen, John F. Hartwig|2020|J.Am.Chem.Soc.|143|359|doi:10.1021/jacs.0c11043
DOI: 10.17188/1698567
title: Materials Data on PmDyZn2 by Materials Project

description: DyPmZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Dy–Zn bond lengths are 3.13 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pm–Zn bond lengths are 3.13 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Pm atoms.
DOI: 10.5517/ccdc.csd.cc26yxdh
title: CCDC 2054537: Experimental Crystal Structure Determination

description: Related Article: Senjie Ma, Christopher K. Hill, Casey L. Olen, John F. Hartwig|2020|J.Am.Chem.Soc.|143|359|doi:10.1021/jacs.0c11043
DOI: 10.17188/1698568
title: Materials Data on Pm2AlIn by Materials Project

description: Pm2InAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent In and four equivalent Al atoms. All Pm–In bond lengths are 3.34 Å. All Pm–Al bond lengths are 3.34 Å. In is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.5517/ccdc.csd.cc26z5bq
title: CCDC 2054783: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, S.T. Liddle|2021|CSD Communication|||
DOI: 10.17188/1698569
title: Materials Data on Cr3In(CoS4)2 by Materials Project

description: Cr3In(CoS4)2 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cr3+ is bonded to six S2- atoms to form CrS6 octahedra that share corners with six equivalent CoS4 tetrahedra, edges with two equivalent InS6 octahedra, and edges with four equivalent CrS6 octahedra. There are four shorter (2.42 Å) and two longer (2.44 Å) Cr–S bond lengths. Co2+ is bonded to four S2- atoms to form CoS4 tetrahedra that share corners with three equivalent InS6 octahedra and corners with nine equivalent CrS6 octahedra. The corner-sharing octahedra tilt angles range from 54–62°. There are three shorter (2.27 Å) and one longer (2.34 Å) Co–S bond lengths. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent CoS4 tetrahedra and edges with six equivalent CrS6 octahedra. All In–S bond lengths are 2.59 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Co2+ atom. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Cr3+, one Co2+, and one In3+ atom.
DOI: 10.5517/ccdc.csd.cc26z65l
title: CCDC 2054809: Experimental Crystal Structure Determination

description: Related Article: Arnold L. Rheingold|2021|CSD Communication|||
DOI: 10.17188/1698570
title: Materials Data on Li3NiPCO7 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.5517/ccdc.csd.cc26zrb9
title: CCDC 2055341: Experimental Crystal Structure Determination

description: Related Article: Arnold L. Rheingold|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc26zrcb
title: CCDC 2055342: Experimental Crystal Structure Determination

description: Related Article: Arnold L. Rheingold|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc26zt78
title: CCDC 2055400: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Miyuki Maekawa, Marc D. Walter|2021|CSD Communication|||
DOI: 10.17188/1698571
title: Materials Data on MoO4 by Materials Project

description: MoO4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four molybdenum;tetrahydrate molecules. Mo is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.79 Å) and two longer (1.85 Å) Mo–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mo atom. In the second O site, O is bonded in a single-bond geometry to one Mo atom.
DOI: 10.5517/ccdc.csd.cc26zt89
title: CCDC 2055401: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Miyuki Maekawa, Marc D. Walter|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc26zt9b
title: CCDC 2055402: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Miyuki Maekawa, Marc D. Walter|2021|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc26ztbc
title: CCDC 2055403: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Miyuki Maekawa, Marc D. Walter|2021|CSD Communication|||
DOI: 10.17188/1698572
title: Materials Data on W2(CN2)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.5517/ccdc.csd.cc26ztcd
title: CCDC 2055404: Experimental Crystal Structure Determination

description: Related Article: Peter G. Jones, Matthias Freytag, Miyuki Maekawa, Marc D. Walter|2021|CSD Communication|||