cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1698495
title: Materials Data on Sr3Cr3N5 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: 10.17188/1698496
title: Materials Data on Li2VCr3O8 by Materials Project

description: Li2VCr3O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent VO6 octahedra and corners with nine equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 55–61°. There is one shorter (1.95 Å) and three longer (2.03 Å) Li–O bond length. V5+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent CrO6 octahedra. All V–O bond lengths are 1.92 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges with four equivalent CrO6 octahedra. There are two shorter (2.00 Å) and four longer (2.04 Å) Cr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and three equivalent Cr3+ atoms to form distorted corner-sharing OLiCr3 tetrahedra. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one V5+, and two equivalent Cr3+ atoms.
DOI: 10.17188/1698497
title: Materials Data on MnZn2N3 by Materials Project

description: MnZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mn3+ is bonded to four N+2.33- atoms to form MnN4 tetrahedra that share corners with two equivalent MnN4 tetrahedra and corners with ten equivalent ZnN4 tetrahedra. There are a spread of Mn–N bond distances ranging from 1.76–1.86 Å. Zn2+ is bonded to four N+2.33- atoms to form ZnN4 tetrahedra that share corners with five equivalent MnN4 tetrahedra and corners with seven equivalent ZnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.03–2.09 Å. There are two inequivalent N+2.33- sites. In the first N+2.33- site, N+2.33- is bonded to two equivalent Mn3+ and two equivalent Zn2+ atoms to form corner-sharing NMn2Zn2 tetrahedra. In the second N+2.33- site, N+2.33- is bonded to one Mn3+ and three equivalent Zn2+ atoms to form corner-sharing NMnZn3 tetrahedra.
DOI: 10.17188/1698498
title: Materials Data on Li2MnCoO4 by Materials Project

description: Li2MnCoO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. 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 1–10°. There are a spread of Li–O bond distances ranging from 2.06–2.28 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent MnO6 octahedra, edges with four equivalent CoO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. There are a spread of Mn–O bond distances ranging from 1.92–1.99 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent CoO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 9–10°. There are a spread of Co–O bond distances ranging from 2.08–2.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+, one Mn2+, and two equivalent Co4+ atoms to form a mixture of corner and edge-sharing OLi3MnCo2 octahedra. The corner-sharing octahedra tilt angles range from 2–9°. In the second O2- site, O2- is bonded to three equivalent Li1+, two equivalent Mn2+, and one Co4+ atom to form a mixture of corner and edge-sharing OLi3Mn2Co octahedra. The corner-sharing octahedra tilt angles range from 2–6°.
DOI: 10.17188/1698499
title: Materials Data on NaFe9Si6B3H2O31 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: 10.17188/1698500
title: Materials Data on PrMgS3 by Materials Project

description: MgPrS3 is Ilmenite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six S2- atoms to form distorted MgS6 octahedra that share corners with four equivalent PrS6 pentagonal pyramids, edges with three equivalent MgS6 octahedra, and edges with four equivalent PrS6 pentagonal pyramids. There are a spread of Mg–S bond distances ranging from 2.52–3.08 Å. Pr4+ is bonded to six S2- atoms to form distorted PrS6 pentagonal pyramids that share corners with four equivalent MgS6 octahedra, edges with four equivalent MgS6 octahedra, an edgeedge with one PrS6 pentagonal pyramid, and a faceface with one PrS6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 39–48°. There are a spread of Pr–S bond distances ranging from 2.80–2.99 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two equivalent Pr4+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Mg2+ and two equivalent Pr4+ atoms.
DOI: 10.17188/1698501
title: Materials Data on LiYCd2 by Materials Project

description: LiYCd2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiYCd2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Cd atoms. Both Li–Cd bond lengths are 2.77 Å. Y is bonded in a linear geometry to two equivalent Cd atoms. Both Y–Cd bond lengths are 3.09 Å. Cd is bonded in a linear geometry to one Li and one Y atom.
DOI: 10.17188/1698502
title: Materials Data on Li5Mn2Fe3O10 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: 10.17188/1698504
title: Materials Data on LiCo2(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: 10.17188/1698505
title: Materials Data on LiMnO2 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: 10.17188/1698506
title: Materials Data on Ho2MgPd2 by Materials Project

description: MgHo2Pd2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a square co-planar geometry to four equivalent Pd atoms. All Mg–Pd bond lengths are 2.98 Å. Ho is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are two shorter (2.87 Å) and four longer (3.00 Å) Ho–Pd bond lengths. Pd is bonded in a 9-coordinate geometry to two equivalent Mg and six equivalent Ho atoms.
DOI: 10.17188/1698507
title: Materials Data on LaTh4OF19 by Materials Project

description: Th4LaOF19 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to one O and eight F atoms. The Th–O bond length is 2.73 Å. There are a spread of Th–F bond distances ranging from 2.31–2.42 Å. In the second Th site, Th is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Th–F bond distances ranging from 2.30–2.47 Å. In the third Th site, Th is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of Th–F bond distances ranging from 2.29–2.60 Å. La is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of La–F bond distances ranging from 2.36–2.66 Å. O is bonded in a single-bond geometry to one Th atom. There are fourteen inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to two Th and one La atom. In the second F site, F is bonded in a linear geometry to two equivalent Th atoms. In the third F site, F is bonded in a bent 150 degrees geometry to one Th and one La atom. In the fourth F site, F is bonded in a bent 150 degrees geometry to two Th atoms. In the fifth F site, F is bonded in a trigonal planar geometry to two Th and one La atom. In the sixth F site, F is bonded in a trigonal planar geometry to two equivalent Th and one La atom. In the seventh F site, F is bonded in a trigonal planar geometry to three Th atoms. In the eighth F site, F is bonded in a trigonal planar geometry to two Th and one La atom. In the ninth F site, F is bonded in a bent 150 degrees geometry to one Th and one La atom. In the tenth F site, F is bonded in a bent 150 degrees geometry to one Th and one La atom. In the eleventh F site, F is bonded in a bent 120 degrees geometry to two equivalent Th atoms. In the twelfth F site, F is bonded in a bent 120 degrees geometry to two equivalent Th atoms. In the thirteenth F site, F is bonded in a bent 150 degrees geometry to two Th atoms. In the fourteenth F site, F is bonded in a bent 150 degrees geometry to two Th atoms.
DOI: 10.17188/1698508
title: Materials Data on MgVMoS4 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: 10.17188/1698509
title: Materials Data on Mn5CuN4 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: 10.17188/1698510
title: Materials Data on Sm2FeGe4 by Materials Project

description: Sm2FeGe4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to one Fe and ten Ge atoms. The Sm–Fe bond length is 3.18 Å. There are a spread of Sm–Ge bond distances ranging from 3.07–3.21 Å. In the second Sm site, Sm is bonded in a 10-coordinate geometry to four equivalent Fe and ten Ge atoms. All Sm–Fe bond lengths are 3.36 Å. There are a spread of Sm–Ge bond distances ranging from 3.11–3.29 Å. Fe is bonded in a 5-coordinate geometry to five Sm and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.30–2.34 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Sm and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Sm and two equivalent Fe atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four Sm and two equivalent Fe atoms.
DOI: 10.17188/1698511
title: Materials Data on Er2GaCo2 by Materials Project

description: Er2Co2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to six equivalent Co and four equivalent Ga atoms. There are two shorter (2.88 Å) and four longer (2.89 Å) Er–Co bond lengths. There are two shorter (3.16 Å) and two longer (3.21 Å) Er–Ga bond lengths. Co is bonded in a 9-coordinate geometry to six equivalent Er, one Co, and two equivalent Ga atoms. The Co–Co bond length is 2.34 Å. Both Co–Ga bond lengths are 2.54 Å. Ga is bonded to eight equivalent Er and four equivalent Co atoms to form a mixture of face and edge-sharing GaEr8Co4 cuboctahedra.
DOI: 10.17188/1698512
title: Materials Data on MnCd3Te4 by Materials Project

description: MnCd3Te4 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra and corners with ten CdTe4 tetrahedra. There are two shorter (2.74 Å) and two longer (2.76 Å) Mn–Te bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.86–2.88 Å. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra and corners with ten CdTe4 tetrahedra. There are two shorter (2.85 Å) and two longer (2.87 Å) Cd–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+ and three Cd2+ atoms to form corner-sharing TeMnCd3 tetrahedra. In the second Te2- site, Te2- is bonded to four Cd2+ atoms to form corner-sharing TeCd4 tetrahedra. In the third Te2- site, Te2- is bonded to two equivalent Mn2+ and two equivalent Cd2+ atoms to form corner-sharing TeMn2Cd2 tetrahedra.
DOI: 10.5517/ccdc.csd.cc24y5x6
title: CCDC 1994258: Experimental Crystal Structure Determination

description: Related Article: Mohd Nazish, Mujahuddin M. Siddiqui, Samir Kumar Sarkar, Annika Münch, Christina M. Legendre, Regine Herbst-Irmer, Dietmar Stalke, Herbert W. Roesky|2020|Chem.-Eur.J.|27|1744|doi:10.1002/chem.202003513
DOI: 10.5517/ccdc.csd.cc24y61c
title: CCDC 1994262: Experimental Crystal Structure Determination

description: Related Article: Mohd Nazish, Mujahuddin M. Siddiqui, Samir Kumar Sarkar, Annika Münch, Christina M. Legendre, Regine Herbst-Irmer, Dietmar Stalke, Herbert W. Roesky|2020|Chem.-Eur.J.|27|1744|doi:10.1002/chem.202003513
DOI: 10.17188/1698513
title: Materials Data on YbMnO3 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: 10.17188/1698514
title: Materials Data on Ca4ReN4 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: 10.17188/1698515
title: Materials Data on Sb by Materials Project

description: Sb crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are nine inequivalent Sb sites. In the first Sb site, Sb is bonded in a distorted hexagonal planar geometry to six Sb atoms. There are a spread of Sb–Sb bond distances ranging from 3.05–3.19 Å. In the second Sb site, Sb is bonded to six Sb atoms to form SbSb6 octahedra that share corners with two equivalent SbSb5 trigonal bipyramids and edges with two equivalent SbSb6 octahedra. There are a spread of Sb–Sb bond distances ranging from 3.09–3.25 Å. In the third Sb site, Sb is bonded to six Sb atoms to form edge-sharing SbSb6 octahedra. There are a spread of Sb–Sb bond distances ranging from 3.01–3.27 Å. In the fourth Sb site, Sb is bonded in a distorted hexagonal planar geometry to six Sb atoms. There are a spread of Sb–Sb bond distances ranging from 3.09–3.13 Å. In the fifth Sb site, Sb is bonded in a distorted rectangular see-saw-like geometry to four Sb atoms. There are one shorter (2.89 Å) and one longer (2.97 Å) Sb–Sb bond lengths. In the sixth Sb site, Sb is bonded in a 6-coordinate geometry to five Sb atoms. There are a spread of Sb–Sb bond distances ranging from 2.98–3.34 Å. In the seventh Sb site, Sb is bonded in a 5-coordinate geometry to five Sb atoms. In the eighth Sb site, Sb is bonded in a 6-coordinate geometry to six Sb atoms. There are one shorter (2.96 Å) and one longer (3.25 Å) Sb–Sb bond lengths. In the ninth Sb site, Sb is bonded to five Sb atoms to form distorted SbSb5 trigonal bipyramids that share a cornercorner with one SbSb6 octahedra and corners with three equivalent SbSb5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 33°.
DOI: 10.17188/1698516
title: Materials Data on FeHO2 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: 10.17188/1698517
title: Materials Data on DyAl7Fe5 by Materials Project

description: DyFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of Dy–Fe bond distances ranging from 3.20–3.34 Å. There are a spread of Dy–Al bond distances ranging from 2.89–3.20 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Dy, three Fe, and seven Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.53 Å. There are a spread of Fe–Al bond distances ranging from 2.48–2.66 Å. In the second Fe site, Fe is bonded to two equivalent Dy, four equivalent Fe, and six Al atoms to form distorted edge-sharing FeDy2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.60–2.71 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Dy, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.84 Å. In the second Al site, Al is bonded in a 7-coordinate geometry to one Dy, six Fe, and three Al atoms. Both Al–Al bond lengths are 2.88 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one Dy, five Fe, and four Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.80 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.70 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Dy, five Fe, and five Al atoms.
DOI: 10.17188/1698518
title: Materials Data on Hf6Be15Co8 by Materials Project

description: Be15Hf6Co8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to four equivalent Be, four equivalent Hf, and four equivalent Co atoms to form a mixture of face and corner-sharing BeHf4Be4Co4 cuboctahedra. All Be–Be bond lengths are 2.24 Å. All Be–Hf bond lengths are 2.77 Å. All Be–Co bond lengths are 2.37 Å. In the second Be site, Be is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Be–Co bond lengths are 2.36 Å. In the third Be site, Be is bonded in a distorted q6 geometry to six Be, three equivalent Hf, and three equivalent Co atoms. All Be–Be bond lengths are 2.23 Å. All Be–Hf bond lengths are 2.77 Å. All Be–Co bond lengths are 2.31 Å. Hf is bonded in a 12-coordinate geometry to eight Be and four equivalent Co atoms. All Hf–Co bond lengths are 2.63 Å. Co is bonded in a 10-coordinate geometry to seven Be and three equivalent Hf atoms.
DOI: 10.5517/ccdc.csd.cc25rzdb
title: CCDC 2019042: Experimental Crystal Structure Determination

description: Related Article: Jiao Chen|2020|CSD Communication|||
description: Related Article: Jiao Chen, Yiwei Li, Xukai Feng, Mengyao She, Wenxin Yao, Xin Leng, Ping Liu, Shengyong Zhang, Jianli Li|2020|Spectrochim.Acta,Part A|246|119041|doi:10.1016/j.saa.2020.119041
DOI: 10.17188/1698520
title: Materials Data on Ba2AlSn3O8 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: 10.17188/1698521
title: Materials Data on CoNiSe4 by Materials Project

description: CoNiSe4 is pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co4+ is bonded to six Se2- atoms to form CoSe6 octahedra that share corners with four equivalent CoSe6 octahedra and corners with eight equivalent NiSe6 octahedra. The corner-sharing octahedra tilt angles range from 62–64°. There are two shorter (2.40 Å) and four longer (2.42 Å) Co–Se bond lengths. Ni4+ is bonded to six Se2- atoms to form NiSe6 octahedra that share corners with four equivalent NiSe6 octahedra and corners with eight equivalent CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 62–65°. There are a spread of Ni–Se bond distances ranging from 2.45–2.50 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to one Co4+ and two equivalent Ni4+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Co4+ and one Ni4+ atom.
DOI: 10.17188/1698523
title: Materials Data on HgGe3 by Materials Project

description: HgGe3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hg is bonded to twelve equivalent Ge atoms to form HgGe12 cuboctahedra that share corners with twelve equivalent HgGe12 cuboctahedra, edges with twenty-four equivalent GeHg4Ge8 cuboctahedra, faces with six equivalent HgGe12 cuboctahedra, and faces with twelve equivalent GeHg4Ge8 cuboctahedra. All Hg–Ge bond lengths are 3.11 Å. Ge is bonded to four equivalent Hg and eight equivalent Ge atoms to form GeHg4Ge8 cuboctahedra that share corners with twelve equivalent GeHg4Ge8 cuboctahedra, edges with eight equivalent HgGe12 cuboctahedra, edges with sixteen equivalent GeHg4Ge8 cuboctahedra, faces with four equivalent HgGe12 cuboctahedra, and faces with fourteen equivalent GeHg4Ge8 cuboctahedra. All Ge–Ge bond lengths are 3.11 Å.
DOI: 10.5517/ccdc.csd.cc260mf9
title: CCDC 2026390: Experimental Crystal Structure Determination

description: Related Article: Shanshan Zhang|2021|J.Mol.Struct.|1230|129871|doi:10.1016/j.molstruc.2021.129871
DOI: 10.5517/ccdc.csd.cc260mgb
title: CCDC 2026391: Experimental Crystal Structure Determination

description: Related Article: Shanshan Zhang|2021|J.Mol.Struct.|1230|129871|doi:10.1016/j.molstruc.2021.129871