cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1733225
title: Materials Data on MgSn2 by Materials Project

description: MgSn2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Mg and eight Sn atoms to form distorted MgMg4Sn8 cuboctahedra that share corners with ten SnMg6 cuboctahedra, corners with twelve MgMg4Sn8 cuboctahedra, edges with three equivalent MgMg4Sn8 cuboctahedra, edges with seven SnMg6 cuboctahedra, faces with two equivalent SnMg4Sn8 cuboctahedra, and faces with six MgMg4Sn8 cuboctahedra. There are two shorter (3.34 Å) and two longer (3.39 Å) Mg–Mg bond lengths. There are six shorter (3.25 Å) and two longer (3.40 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded to four Mg and eight Sn atoms to form distorted MgMg4Sn8 cuboctahedra that share corners with six equivalent SnMg4Sn8 cuboctahedra, corners with twelve MgMg4Sn8 cuboctahedra, edges with three equivalent MgMg4Sn8 cuboctahedra, edges with nine SnMg6 cuboctahedra, faces with two equivalent SnMg4Sn8 cuboctahedra, and faces with six MgMg4Sn8 cuboctahedra. Both Mg–Mg bond lengths are 3.34 Å. There are a spread of Mg–Sn bond distances ranging from 3.23–3.41 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted water-like geometry to two equivalent Mg and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.26 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Mg and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.31 Å. In the third Sn site, Sn is bonded to six Mg atoms to form distorted SnMg6 cuboctahedra that share corners with four equivalent MgMg4Sn8 cuboctahedra, corners with twelve SnMg6 cuboctahedra, edges with four SnMg6 cuboctahedra, edges with ten MgMg4Sn8 cuboctahedra, and faces with two equivalent SnMg6 cuboctahedra. In the fourth Sn site, Sn is bonded to four Mg and eight Sn atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with twelve MgMg4Sn8 cuboctahedra, corners with fourteen SnMg6 cuboctahedra, edges with two equivalent SnMg6 cuboctahedra, edges with six MgMg4Sn8 cuboctahedra, faces with four MgMg4Sn8 cuboctahedra, and faces with four equivalent SnMg4Sn8 cuboctahedra. Both Sn–Sn bond lengths are 3.34 Å.
DOI: 10.17188/1733226
title: Materials Data on Rb3Zr by Materials Project

description: Rb3Zr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to eight Rb and four equivalent Zr atoms to form distorted RbRb8Zr4 cuboctahedra that share corners with twelve equivalent RbRb8Zr4 cuboctahedra, edges with eight equivalent ZrRb12 cuboctahedra, edges with sixteen RbRb8Zr4 cuboctahedra, faces with four equivalent ZrRb12 cuboctahedra, and faces with fourteen RbRb8Zr4 cuboctahedra. There are four shorter (4.37 Å) and four longer (4.44 Å) Rb–Rb bond lengths. All Rb–Zr bond lengths are 4.37 Å. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Zr atoms to form RbRb8Zr4 cuboctahedra that share corners with four equivalent RbRb8Zr4 cuboctahedra, corners with eight equivalent ZrRb12 cuboctahedra, edges with twenty-four RbRb8Zr4 cuboctahedra, faces with six equivalent ZrRb12 cuboctahedra, and faces with twelve RbRb8Zr4 cuboctahedra. All Rb–Zr bond lengths are 4.44 Å. Zr is bonded to twelve Rb atoms to form ZrRb12 cuboctahedra that share corners with four equivalent ZrRb12 cuboctahedra, corners with eight equivalent RbRb8Zr4 cuboctahedra, edges with eight equivalent ZrRb12 cuboctahedra, edges with sixteen equivalent RbRb8Zr4 cuboctahedra, faces with four equivalent ZrRb12 cuboctahedra, and faces with fourteen RbRb8Zr4 cuboctahedra.
DOI: 10.17188/1733227
title: Materials Data on SrLa2Ti3O9 by Materials Project

description: SrLa2Ti3O9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with six equivalent SrO12 cuboctahedra, corners with six equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight TiO6 octahedra. There are six shorter (2.79 Å) and six longer (2.81 Å) Sr–O bond lengths. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with three equivalent SrO12 cuboctahedra, corners with nine equivalent LaO12 cuboctahedra, faces with three equivalent SrO12 cuboctahedra, faces with three equivalent LaO12 cuboctahedra, and faces with eight TiO6 octahedra. There are six shorter (2.78 Å) and six longer (2.79 Å) La–O bond lengths. There are two inequivalent Ti+3.33+ sites. In the first Ti+3.33+ site, Ti+3.33+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra, faces with two equivalent SrO12 cuboctahedra, and faces with six equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. All Ti–O bond lengths are 1.97 Å. In the second Ti+3.33+ site, Ti+3.33+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra, faces with three equivalent SrO12 cuboctahedra, and faces with five equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There is three shorter (1.97 Å) and three longer (1.98 Å) Ti–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Sr2+, three equivalent La3+, and two Ti+3.33+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, and two equivalent Ti+3.33+ atoms.
DOI: 10.6073/pasta/52cebd235b6cceea3670a95a313c1715
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 10 meteorological station: Daily average soil volumetric water content data: 2013 - ongoing

description: Daily Average of 30-minute Soil Volumetric Water Content data at 10 cm at CSIS Block-10. Collection of soil water content data at Jornada LTER Cross-scale Interactions Study (CSIS) blocks, New Mexico, supports the environmental monitoring objectives of the Jornada LTER monitoring program that look at plant-soil water dynamics. Soil volumetric water content is measured every 30 minutes at 10 cm depth at 3 locations at each of the 4 plots per block and averaged for the daily value. The locations in each plot are under bare soil, under perennial grass, and under shrub. Volumetric water content, bulk electrical conductivity, soil temperature, and bulk dielectric permittivity are recorded at an automated meteorological station installed at Jornada LTER CSIS Block-10 site. This is an ONGOING dataset.
DOI: 10.17188/1733228
title: Materials Data on PuP2H6CO8 by Materials Project

description: PuCP2H4O7H2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four water molecules and one PuCP2H4O7 framework. In the PuCP2H4O7 framework, Pu4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pu–O bond distances ranging from 2.21–2.62 Å. C4- is bonded in a distorted tetrahedral geometry to two P5+ and two H1+ atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) C–P bond length. Both C–H bond lengths are 1.10 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to one C4- and three O2- atoms to form corner-sharing PCO3 tetrahedra. There is one shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. In the second P5+ site, P5+ is bonded to one C4- and three O2- atoms to form corner-sharing PCO3 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are four 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Pu4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one Pu4+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Pu4+ and one P5+ atom.
DOI: 10.17188/1733229
title: Materials Data on Na5CoHO4 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: 10.17188/1733370
title: Materials Data on PmSe2 by Materials Project

description: PmSe2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pm3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Pm–Se bond distances ranging from 2.98–3.22 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 5-coordinate geometry to four equivalent Pm3+ and one Se+1.50- atom. The Se–Se bond length is 2.55 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Pm3+ atoms to form a mixture of distorted edge and corner-sharing SePm5 trigonal bipyramids.
DOI: 10.17188/1733372
title: Materials Data on YFeNi by Materials Project

description: YFeNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Ni atoms. There are two shorter (3.01 Å) and four longer (3.04 Å) Y–Fe bond lengths. There are four shorter (2.94 Å) and two longer (3.09 Å) Y–Ni bond lengths. Fe is bonded to six equivalent Y, two equivalent Fe, and four equivalent Ni atoms to form FeY6Fe2Ni4 cuboctahedra that share corners with eight equivalent NiY6Fe4Ni2 cuboctahedra, corners with ten equivalent FeY6Fe2Ni4 cuboctahedra, edges with six equivalent FeY6Fe2Ni4 cuboctahedra, faces with six equivalent FeY6Fe2Ni4 cuboctahedra, and faces with twelve equivalent NiY6Fe4Ni2 cuboctahedra. Both Fe–Fe bond lengths are 2.48 Å. All Fe–Ni bond lengths are 2.58 Å. Ni is bonded to six equivalent Y, four equivalent Fe, and two equivalent Ni atoms to form NiY6Fe4Ni2 cuboctahedra that share corners with eight equivalent FeY6Fe2Ni4 cuboctahedra, corners with ten equivalent NiY6Fe4Ni2 cuboctahedra, edges with six equivalent NiY6Fe4Ni2 cuboctahedra, faces with six equivalent NiY6Fe4Ni2 cuboctahedra, and faces with twelve equivalent FeY6Fe2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.61 Å.
DOI: 10.17188/1733373
title: Materials Data on Pr2(N4O9)3 by Materials Project

description: (Pr2(NO3)9)2(N2)3 crystallizes in the cubic P4_332 space group. The structure is three-dimensional and consists of twelve ammonia molecules and one Pr2(NO3)9 framework. In the Pr2(NO3)9 framework, Pr3+ is bonded to twelve O2- atoms to form corner-sharing PrO12 cuboctahedra. There are a spread of Pr–O bond distances ranging from 2.61–2.69 Å. There are two inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.27 Å) N–O bond length. In the second N4+ site, N4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.31 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one N4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Pr3+ and one N4+ atom.
DOI: 10.17188/1733374
title: Materials Data on LiMn(CO3)2 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: 10.17188/1733375
title: Materials Data on Li4V2Fe3Ni3O16 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: 10.17188/1733376
title: Materials Data on Ti3Pb3N5 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: 10.6073/pasta/dcce2d2025f04906d7afcf576ac47fc9
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 10 meteorological station: 1-second summary precipitation data: 2017 - ongoing

description: 1-second summary precipitation data at CSIS Block-10 met station. Total precipitation per second is recorded only if there is measurable precipitation. This is recorded at an automated meteorological station installed at Jornada LTER CSIS Block-10 site.. This climate station is operated by the Jornada LTER Program. This is an ONGOING dataset. IMPORTANT: Rainfall is only recorded when a bucket tip occurs on the tipping bucket rain gauge. If there is missing data due to equipment or other problems, there will be no indication of this within this dataset. The user needs to review precipitation values in the 30 minute or hourly summary datasets to determine if there are missing data in this 1 second detailed precipitation dataset.
DOI: 10.17188/1733377
title: Materials Data on La2MnRhO6 by Materials Project

description: La2MnRhO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.80 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 28–31°. There are two shorter (1.96 Å) and four longer (2.10 Å) Mn–O bond lengths. Rh4+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 28–31°. There are two shorter (2.07 Å) and four longer (2.08 Å) Rh–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Mn2+, and one Rh4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Mn2+, and one Rh4+ atom. In the third O2- site, O2- is bonded to two equivalent La3+, one Mn2+, and one Rh4+ atom to form distorted corner-sharing OLa2MnRh tetrahedra.
DOI: 10.17188/1733378
title: Materials Data on Na3Sr3GaSb4 by Materials Project

description: Na3Sr3GaSb4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Na1+ is bonded to four Sb3- atoms to form distorted NaSb4 tetrahedra that share corners with eight equivalent SrSb6 octahedra, corners with two equivalent GaSb4 tetrahedra, corners with eight equivalent NaSb4 tetrahedra, edges with two equivalent SrSb6 octahedra, an edgeedge with one GaSb4 tetrahedra, and faces with two equivalent SrSb6 octahedra. The corner-sharing octahedra tilt angles range from 27–55°. There are a spread of Na–Sb bond distances ranging from 3.13–3.39 Å. Sr2+ is bonded to six Sb3- atoms to form distorted SrSb6 octahedra that share corners with eight equivalent SrSb6 octahedra, a cornercorner with one GaSb4 tetrahedra, corners with eight equivalent NaSb4 tetrahedra, edges with four equivalent SrSb6 octahedra, an edgeedge with one GaSb4 tetrahedra, edges with two equivalent NaSb4 tetrahedra, faces with two equivalent SrSb6 octahedra, a faceface with one GaSb4 tetrahedra, and faces with two equivalent NaSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–50°. There are a spread of Sr–Sb bond distances ranging from 3.42–3.75 Å. Ga3+ is bonded to four Sb3- atoms to form GaSb4 tetrahedra that share corners with three equivalent SrSb6 octahedra, corners with six equivalent NaSb4 tetrahedra, edges with three equivalent SrSb6 octahedra, edges with three equivalent NaSb4 tetrahedra, and faces with three equivalent SrSb6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three shorter (2.72 Å) and one longer (2.83 Å) Ga–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 10-coordinate geometry to three equivalent Na1+, six equivalent Sr2+, and one Ga3+ atom. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to three equivalent Na1+, four equivalent Sr2+, and one Ga3+ atom.
DOI: 10.17188/1733379
title: Materials Data on MoPbO2 by Materials Project

description: MoPbO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mo2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mo–O bond lengths are 2.23 Å. Pb2+ is bonded to six equivalent O2- atoms to form edge-sharing PbO6 octahedra. There are four shorter (2.62 Å) and two longer (2.63 Å) Pb–O bond lengths. O2- is bonded to two equivalent Mo2+ and three equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing OMo2Pb3 square pyramids.
DOI: 10.17188/1733380
title: Materials Data on Ba2VFeO6 by Materials Project

description: Ba2VFeO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent VO6 octahedra, and faces with four equivalent FeO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.80–2.87 Å. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–2°. All V–O bond lengths are 1.93 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are two shorter (2.08 Å) and four longer (2.09 Å) Fe–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one V5+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one V5+, and one Fe3+ atom.
DOI: 10.15161/oar.it/73453
title: CovidStat project data

description: This record contains the daily updated data of the CovidStat project. CovidStat is a project carried out by the CovidStat Working Group at INFN, whose creation was promoted within the Italian National Institute of Nuclear Physics with the aim of making a statistical analysis of the data provided daily by the Civil Protection on the spread of the pandemic in Italy. CovidStat data can interactively be browsed at https://covid19.infn.it.
description: The software to process this Root TTree is in the related identifier. Be sure to use the right corresponding version, based on the data in which Root TTree was generated.
DOI: 10.17188/1733381
title: Materials Data on NbTlV2O8 by Materials Project

description: NbV2TlO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six VO4 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.99–2.03 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 27–34°. There are a spread of V–O bond distances ranging from 1.64–1.80 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 13–33°. There are a spread of V–O bond distances ranging from 1.65–1.80 Å. Tl1+ is bonded in a 1-coordinate geometry to eleven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.70–3.43 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+, one V5+, and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to one Nb5+ and one V5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Tl1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ and two equivalent Tl1+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nb5+, one V5+, and one Tl1+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Nb5+, one V5+, and two equivalent Tl1+ atoms.
DOI: 10.17188/1733382
title: Materials Data on Co6O5F7 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: 10.17188/1733383
title: Materials Data on ErCdIn by Materials Project

description: ErCdIn crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Cd and six equivalent In atoms. There are three shorter (3.19 Å) and three longer (3.44 Å) Er–Cd bond lengths. There are three shorter (3.22 Å) and three longer (3.61 Å) Er–In bond lengths. Cd is bonded in a 10-coordinate geometry to six equivalent Er, three equivalent Cd, and one In atom. All Cd–Cd bond lengths are 2.85 Å. The Cd–In bond length is 3.08 Å. In is bonded in a 10-coordinate geometry to six equivalent Er, one Cd, and three equivalent In atoms. All In–In bond lengths are 2.90 Å.
DOI: 10.17188/1733384
title: Materials Data on LiP3(WO6)2 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: 10.17188/1733385
title: Materials Data on Li2NiOF2 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