cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1738393
title: Materials Data on Ca2Si3Pb3O11 by Materials Project

description: Ca2Pb3Si3O11 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are four inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.37 Å) and three longer (2.48 Å) Ca–O bond lengths. In the second Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.40–2.95 Å. In the third Ca2+ site, Ca2+ is bonded to six equivalent O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with six equivalent SiO4 tetrahedra. All Ca–O bond lengths are 2.34 Å. In the fourth Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.46 Å) and three longer (2.79 Å) Ca–O bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.22 Å) and two longer (2.32 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.26–2.68 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.61 Å) and three longer (1.66 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one CaO6 pentagonal pyramid and a cornercorner with one SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.70 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Ca2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Pb2+, and one Si4+ atom. In the fifth O2- site, O2- is bonded to two Ca2+, one Pb2+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OCa2SiPb tetrahedra. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Ca2+, two Pb2+, and one Si4+ atom.
DOI: 10.17188/1738394
title: Materials Data on Li5Cr6P5O24 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: 10.17188/1738395
title: Materials Data on ThZn(N3O13)2 by Materials Project

description: Th(NO3)6ZnO6O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four water molecules, two Th(NO3)6 clusters, and two zinc;hexahydrate molecules. In each Th(NO3)6 cluster, Th is bonded in a cuboctahedral geometry to twelve O atoms. There are a spread of Th–O bond distances ranging from 2.54–2.64 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.25–1.28 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.22 Å) and two longer (1.29 Å) N–O bond length. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.25 Å) and two longer (1.27 Å) N–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Th and one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Th and one N atom.
DOI: 10.17188/1738396
title: Materials Data on ErAlFe by Materials Project

description: ErFeAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to four Er, seven Fe, and five Al atoms. There are a spread of Er–Er bond distances ranging from 3.15–3.27 Å. There are a spread of Er–Fe bond distances ranging from 3.09–3.16 Å. There are two shorter (3.11 Å) and three longer (3.12 Å) Er–Al bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to three equivalent Er, five Fe, and seven Al atoms. There are a spread of Er–Fe bond distances ranging from 3.01–3.24 Å. There are a spread of Er–Al bond distances ranging from 3.03–3.21 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six Er, two equivalent Fe, and four Al atoms to form distorted FeEr6Al4Fe2 cuboctahedra that share corners with four equivalent FeEr6Al2Fe4 cuboctahedra, corners with eight AlEr6Fe6 cuboctahedra, edges with six equivalent FeEr6Al4Fe2 cuboctahedra, faces with eight FeEr6Al4Fe2 cuboctahedra, and faces with twelve AlEr6Fe6 cuboctahedra. Both Fe–Fe bond lengths are 2.51 Å. There are a spread of Fe–Al bond distances ranging from 2.57–2.71 Å. In the second Fe site, Fe is bonded to six Er, four Fe, and two equivalent Al atoms to form FeEr6Al2Fe4 cuboctahedra that share corners with eight FeEr6Al4Fe2 cuboctahedra, corners with ten AlEr6Al4Fe2 cuboctahedra, edges with two equivalent FeEr6Al2Fe4 cuboctahedra, edges with four equivalent AlEr6Al4Fe2 cuboctahedra, faces with eight AlEr6Fe6 cuboctahedra, and faces with ten FeEr6Al4Fe2 cuboctahedra. There are one shorter (2.64 Å) and one longer (2.73 Å) Fe–Fe bond lengths. There are one shorter (2.62 Å) and one longer (2.77 Å) Fe–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to six Er and six Fe atoms to form AlEr6Fe6 cuboctahedra that share corners with four equivalent FeEr6Al4Fe2 cuboctahedra, corners with fourteen AlEr6Fe6 cuboctahedra, edges with six AlEr6Fe6 cuboctahedra, faces with four equivalent AlEr6Al4Fe2 cuboctahedra, and faces with fourteen FeEr6Al4Fe2 cuboctahedra. In the second Al site, Al is bonded to six Er, two equivalent Fe, and four Al atoms to form AlEr6Al4Fe2 cuboctahedra that share corners with eight AlEr6Fe6 cuboctahedra, corners with ten FeEr6Al4Fe2 cuboctahedra, edges with two equivalent AlEr6Al4Fe2 cuboctahedra, edges with four equivalent FeEr6Al2Fe4 cuboctahedra, faces with eight FeEr6Al4Fe2 cuboctahedra, and faces with ten AlEr6Fe6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.62–2.75 Å. In the third Al site, Al is bonded to six Er, two equivalent Fe, and four equivalent Al atoms to form AlEr6Al4Fe2 cuboctahedra that share corners with six AlEr6Fe6 cuboctahedra, corners with twelve FeEr6Al4Fe2 cuboctahedra, edges with six AlEr6Fe6 cuboctahedra, faces with eight equivalent AlEr6Al4Fe2 cuboctahedra, and faces with ten FeEr6Al4Fe2 cuboctahedra.
DOI: 10.17188/1738397
title: Materials Data on Sr2AlIn3 by Materials Project

description: Sr2In3Al crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to nine In and three equivalent Al atoms. There are a spread of Sr–In bond distances ranging from 3.32–3.77 Å. All Sr–Al bond lengths are 3.30 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to nine In and three equivalent Al atoms. There are a spread of Sr–In bond distances ranging from 3.33–3.79 Å. All Sr–Al bond lengths are 3.74 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Sr, one In, and three equivalent Al atoms. The In–In bond length is 3.34 Å. All In–Al bond lengths are 2.98 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Sr and four In atoms. All In–In bond lengths are 3.00 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Sr, three equivalent In, and one Al atom. The In–Al bond length is 3.21 Å. Al is bonded in a 10-coordinate geometry to six Sr and four In atoms.
DOI: 10.17188/1738399
title: Materials Data on TlP by Materials Project

description: TlP is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tl1+ is bonded to four equivalent P1- atoms to form corner-sharing TlP4 tetrahedra. There are three shorter (2.65 Å) and one longer (2.66 Å) Tl–P bond lengths. P1- is bonded to four equivalent Tl1+ atoms to form corner-sharing PTl4 tetrahedra.
DOI: 10.17188/1738401
title: Materials Data on Li3Mn3TeO8 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: 10.5281/zenodo.4495635
title: Code and Data Availability of the manuscript: Mapping tree diversity in the tropical forest region of Chocó-Colombia

description: <strong>Code and Data Availability of the manuscript: Mapping tree diversity in the tropical forest region of Chocó-Colombia</strong> In revision at Environmental Research letters. J. Camilo Fagua<sup>1</sup>*, Patrick Jantz<sup>1</sup>, Patrick Burns<sup>1</sup>, Richard Massey<sup>1</sup><sub>,</sub> Jeiner Y. Buitrago<sup>2</sup>, Sassan Saatchi<sup>3</sup> and Scott J. Goetz<sup>1 </sup> <sup>1</sup><em> Global Earth Observation & Dynamics of Ecosystems Lab (GEODE), School of Informatics, Computing, and Cyber Systems (SICCS), Northern Arizona University, Flagstaff, Arizona, US<em>.</em></em> <em><sup>2</sup></em><em> Department of Agronomy, Faculty of Agricultural Sciences, Universidad Nacional de Colombia. Bogota (Colombia).</em> <em><sup>3</sup></em><em> Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA, USA</em> *Corresponding author: J. Camilo Fagua, School of Informatics, Computing, and Cyber Systems (Building #90) 1295 S. Knoles Dr. Flagstaff, AZ 86011. Email: Camilo.Fagua@nau.edu <strong>1) The files “0_Forest_Structure_maps_in_tif” and “1_Forest_Structure_maps_in_tif” contain seven maps of forest structural metrics for the Chocó region of Colombia in the raster format .tif</strong> (a) Canopy height (CH) map: CHOCO_MAP_CH (b) 50th percentile of heights (z_50) map: CHOCO_MAP_z_50 (c) Vertical Canopy Heterogeneity (VCH) map: CHOCO_MAP_VCH (d) Standard deviation of normalized heights (z_SD) map: CHOCO_MAP_z_SD (e) Horizontal standard deviation of canopy height (CH_ SD): CHOCO_MAP_CH_SD (f) Horizontal heterogeneity of canopy height (CH_H): CHOCO_MAP_CH_H (g) Rumple Index of canopy height (R_INDEX): CHOCO_MAP_R_INDEX <strong>2) The file “2_Diversity_maps_in_tif” contains five maps of forest structural metrics for the Chocó region of Colombia in the raster format .tif</strong> (a) Species richness (Richness): MAPS_MEAN_Richness (b) Shannon’s entropy index (ENS-Shannon): MAPS_MEAN_ENS_shannon (c) Simpson’s concentration index (ENS-Simpson): MAPS_MEAN_ENS_Simpson (d) Shannon diversity index (H): MAPS_MEAN_Shannon (e) Simpson diversity index (D): MAPS_MEAN_Simpson <strong>3) The file “3_LiDAR_processing” contents data and R codes to estimate forest structural metrics from ALS-LiDAR data (.las) in an Amazon moist forest.</strong>
DOI: 10.17188/1738402
title: Materials Data on LiV5O7F 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: 10.17188/1738403
title: Materials Data on Cs2YInCl6 by Materials Project

description: Cs2YInCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent YCl6 octahedra, and faces with four equivalent InCl6 octahedra. All Cs–Cl bond lengths are 4.05 Å. Y3+ is bonded to six equivalent Cl1- atoms to form YCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Cl bond lengths are 2.65 Å. In1+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent YCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 3.08 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Y3+, and one In1+ atom.
DOI: 10.5281/zenodo.4495634
title: Code and Data Availability of the manuscript: Mapping tree diversity in the tropical forest region of Chocó-Colombia

description: <strong>Code and Data Availability of the manuscript: Mapping tree diversity in the tropical forest region of Chocó-Colombia</strong> In revision at Environmental Research letters. J. Camilo Fagua<sup>1</sup>*, Patrick Jantz<sup>1</sup>, Patrick Burns<sup>1</sup>, Richard Massey<sup>1</sup><sub>,</sub> Jeiner Y. Buitrago<sup>2</sup>, Sassan Saatchi<sup>3</sup> and Scott J. Goetz<sup>1 </sup> <sup>1</sup><em> Global Earth Observation & Dynamics of Ecosystems Lab (GEODE), School of Informatics, Computing, and Cyber Systems (SICCS), Northern Arizona University, Flagstaff, Arizona, US<em>.</em></em> <em><sup>2</sup></em><em> Department of Agronomy, Faculty of Agricultural Sciences, Universidad Nacional de Colombia. Bogota (Colombia).</em> <em><sup>3</sup></em><em> Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA, USA</em> *Corresponding author: J. Camilo Fagua, School of Informatics, Computing, and Cyber Systems (Building #90) 1295 S. Knoles Dr. Flagstaff, AZ 86011. Email: Camilo.Fagua@nau.edu <strong>1) The files “0_Forest_Structure_maps_in_tif” and “1_Forest_Structure_maps_in_tif” contain seven maps of forest structural metrics for the Chocó region of Colombia in the raster format .tif</strong> (a) Canopy height (CH) map: CHOCO_MAP_CH (b) 50th percentile of heights (z_50) map: CHOCO_MAP_z_50 (c) Vertical Canopy Heterogeneity (VCH) map: CHOCO_MAP_VCH (d) Standard deviation of normalized heights (z_SD) map: CHOCO_MAP_z_SD (e) Horizontal standard deviation of canopy height (CH_ SD): CHOCO_MAP_CH_SD (f) Horizontal heterogeneity of canopy height (CH_H): CHOCO_MAP_CH_H (g) Rumple Index of canopy height (R_INDEX): CHOCO_MAP_R_INDEX <strong>2) The file “2_Diversity_maps_in_tif” contains five maps of forest structural metrics for the Chocó region of Colombia in the raster format .tif</strong> (a) Species richness (Richness): MAPS_MEAN_Richness (b) Shannon’s entropy index (ENS-Shannon): MAPS_MEAN_ENS_shannon (c) Simpson’s concentration index (ENS-Simpson): MAPS_MEAN_ENS_Simpson (d) Shannon diversity index (H): MAPS_MEAN_Shannon (e) Simpson diversity index (D): MAPS_MEAN_Simpson <strong>3) The file “3_LiDAR_processing” contents data and R codes to estimate forest structural metrics from ALS-LiDAR data (.las) in an Amazon moist forest.</strong>
DOI: 10.17188/1738404
title: Materials Data on Tb3Rh by Materials Project

description: Tb3Rh is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Tb3Rh sheets oriented in the (0, 0, 1) direction. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to two equivalent Rh atoms. There are one shorter (2.85 Å) and one longer (2.86 Å) Tb–Rh bond lengths. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.80 Å) and one longer (2.89 Å) Tb–Rh bond lengths. Rh is bonded in a 6-coordinate geometry to six Tb atoms.
DOI: 10.17188/1738405
title: Materials Data on Li4Ni5BiO12 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: 10.17188/1738406
title: Materials Data on CaMg3 by Materials Project

description: Mg3Ca is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Mg atoms to form CaMg12 cuboctahedra that share corners with twelve equivalent CaMg12 cuboctahedra, edges with twenty-four equivalent MgCa4Mg8 cuboctahedra, faces with six equivalent CaMg12 cuboctahedra, and faces with twelve equivalent MgCa4Mg8 cuboctahedra. All Ca–Mg bond lengths are 3.37 Å. Mg is bonded to four equivalent Ca and eight equivalent Mg atoms to form MgCa4Mg8 cuboctahedra that share corners with twelve equivalent MgCa4Mg8 cuboctahedra, edges with eight equivalent CaMg12 cuboctahedra, edges with sixteen equivalent MgCa4Mg8 cuboctahedra, faces with four equivalent CaMg12 cuboctahedra, and faces with fourteen equivalent MgCa4Mg8 cuboctahedra. All Mg–Mg bond lengths are 3.37 Å.
DOI: 10.17188/1738407
title: Materials Data on LiFe4(BO3)4 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: 10.17188/1738408
title: Materials Data on Lu(Co2Ge)2 by Materials Project

description: Lu(Co2Ge)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Lu is bonded to six equivalent Ge atoms to form a mixture of distorted corner and edge-sharing LuGe6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are two shorter (2.83 Å) and four longer (2.92 Å) Lu–Ge bond lengths. Co is bonded in a 3-coordinate geometry to three equivalent Ge atoms. There are one shorter (2.38 Å) and two longer (2.39 Å) Co–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Co atoms.
DOI: 10.17188/1738410
title: Materials Data on MnPbN2 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: 10.17188/1738411
title: Materials Data on CeSbIr by Materials Project

description: CeIrSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to six equivalent Ir and six equivalent Sb atoms. There are a spread of Ce–Ir bond distances ranging from 2.96–3.55 Å. There are a spread of Ce–Sb bond distances ranging from 3.19–3.38 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.69–2.89 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Ir atoms.
DOI: 10.17188/1738412
title: Materials Data on LiCr3O8 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: 10.17188/1738413
title: Materials Data on Na2LiSbCl6 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: 10.17188/1738414
title: Materials Data on LiFeP2O7 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: 10.17188/1738415
title: Materials Data on TbPO4 by Materials Project

description: TbPO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.38 Å) and four longer (2.43 Å) Tb–O bond lengths. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.56 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Tb3+ and one P5+ atom.
DOI: 10.17188/1738416
title: Materials Data on UPt5 by Materials Project

description: UPt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. U6+ is bonded in a 12-coordinate geometry to sixteen Pt+1.20- atoms. There are twelve shorter (3.11 Å) and four longer (3.25 Å) U–Pt bond lengths. There are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to four equivalent U6+ and twelve equivalent Pt+1.20- atoms to form distorted PtU4Pt12 tetrahedra that share corners with twelve equivalent PtU3Pt9 cuboctahedra, faces with twenty-eight equivalent PtU3Pt9 cuboctahedra, and faces with twelve equivalent PtU4Pt12 tetrahedra. All Pt–Pt bond lengths are 3.11 Å. In the second Pt+1.20- site, Pt+1.20- is bonded to three equivalent U6+ and nine Pt+1.20- atoms to form distorted PtU3Pt9 cuboctahedra that share corners with eighteen equivalent PtU3Pt9 cuboctahedra, corners with three equivalent PtU4Pt12 tetrahedra, edges with six equivalent PtU3Pt9 cuboctahedra, faces with eighteen equivalent PtU3Pt9 cuboctahedra, and faces with seven equivalent PtU4Pt12 tetrahedra. There are three shorter (2.64 Å) and three longer (2.66 Å) Pt–Pt bond lengths.
DOI: 10.17188/1738417
title: Materials Data on Hf2ReHg by Materials Project

description: Hf2ReHg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2ReHg ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Re and one Hg atom. The Hf–Re bond length is 2.27 Å. The Hf–Hg bond length is 3.03 Å. Re is bonded in a linear geometry to two equivalent Hf atoms. Hg is bonded in a linear geometry to two equivalent Hf atoms.
DOI: 10.17188/1738418
title: Materials Data on NaNdMnWO6 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: 10.17188/1738419
title: Materials Data on TcBr3 by Materials Project

description: TcBr3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two TcBr3 ribbons oriented in the (0, 0, 1) direction. Tc3+ is bonded to six equivalent Br1- atoms to form face-sharing TcBr6 octahedra. All Tc–Br bond lengths are 2.54 Å. Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms.