cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1745900
title: Materials Data on Er12Co5Bi by Materials Project

description: Er12Co5Bi crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to four Co and one Bi atom. There are a spread of Er–Co bond distances ranging from 2.86–3.21 Å. The Er–Bi bond length is 3.58 Å. In the second Er site, Er is bonded in a 4-coordinate geometry to three Co and one Bi atom. There are one shorter (2.66 Å) and two longer (2.83 Å) Er–Co bond lengths. The Er–Bi bond length is 3.42 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to three Co and one Bi atom. There are a spread of Er–Co bond distances ranging from 2.66–3.32 Å. The Er–Bi bond length is 3.37 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Er and one Co atom. The Co–Co bond length is 2.32 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to eight Er and one Co atom. The Co–Co bond length is 2.20 Å. In the third Co site, Co is bonded in a distorted body-centered cubic geometry to eight Er atoms. Bi is bonded in a cuboctahedral geometry to twelve Er atoms.
DOI: 10.17188/1745901
title: Materials Data on Li4Nb2Fe3Sb3O16 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: 10.17188/1745902
title: Materials Data on V2OsW by Materials Project

description: V2WOs crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two V2WOs ribbons oriented in the (1, 0, 0) direction. V is bonded in a linear geometry to one W and one Os atom. The V–W bond length is 2.27 Å. The V–Os bond length is 2.23 Å. W is bonded in a linear geometry to two equivalent V atoms. Os is bonded in a linear geometry to two equivalent V atoms.
DOI: 10.17188/1745903
title: Materials Data on Ga2NiP3H8NO14 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: 10.6084/m9.figshare.1189261
title: F42C sandstone

description: Micro-CT image of F42C sandpack and extracted networks (Dong and Blunt, 2009, DOI: http://dx.doi.org/10.1103/PhysRevE.80.036307) The image can be visualised by opening the Nrrd header file F42C.nhdr in visualization software such as Paraview or ImageJ (http://fiji.sc/Fiji), You can also open the F42C.nhdr file in a text editor to see the image and voxel sizes. See the link provided for further information.
DOI: 10.17188/1745904
title: Materials Data on SbNCl8O 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: 10.17188/1745905
title: Materials Data on SrRe7N10 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: 10.17188/1745907
title: Materials Data on Sr2Ca14Mn14Al2O45 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: 10.17188/1745908
title: Materials Data on TmPu3 by Materials Project

description: Pu3Tm is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight equivalent Pu and four equivalent Tm atoms to form PuTm4Pu8 cuboctahedra that share corners with four equivalent TmPu12 cuboctahedra, corners with fourteen equivalent PuTm4Pu8 cuboctahedra, edges with six equivalent TmPu12 cuboctahedra, edges with twelve equivalent PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces with sixteen PuTm4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.37–3.48 Å. There are two shorter (3.42 Å) and two longer (3.43 Å) Pu–Tm bond lengths. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Tm atoms to form PuTm4Pu8 cuboctahedra that share corners with four equivalent TmPu12 cuboctahedra, corners with fourteen PuTm4Pu8 cuboctahedra, edges with six equivalent TmPu12 cuboctahedra, edges with twelve equivalent PuTm4Pu8 cuboctahedra, faces with four equivalent TmPu12 cuboctahedra, and faces with sixteen PuTm4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.37–3.48 Å. There are two shorter (3.42 Å) and two longer (3.43 Å) Pu–Tm bond lengths. Tm is bonded to twelve Pu atoms to form TmPu12 cuboctahedra that share corners with six equivalent TmPu12 cuboctahedra, corners with twelve PuTm4Pu8 cuboctahedra, edges with eighteen PuTm4Pu8 cuboctahedra, faces with eight equivalent TmPu12 cuboctahedra, and faces with twelve PuTm4Pu8 cuboctahedra.
DOI: 10.17188/1745909
title: Materials Data on Nb4Fe(CS2)2 by Materials Project

description: Nb4Fe(CS2)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Nb+3.50+ sites. In the first Nb+3.50+ site, Nb+3.50+ is bonded to three C4- and three S2- atoms to form NbC3S3 octahedra that share corners with three equivalent NbC3S3 octahedra, corners with four equivalent FeS6 octahedra, and edges with nine NbC3S3 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are one shorter (2.23 Å) and two longer (2.25 Å) Nb–C bond lengths. There are two shorter (2.54 Å) and one longer (2.56 Å) Nb–S bond lengths. In the second Nb+3.50+ site, Nb+3.50+ is bonded to three C4- and three S2- atoms to form NbC3S3 octahedra that share corners with two equivalent FeS6 octahedra, corners with three equivalent NbC3S3 octahedra, edges with nine NbC3S3 octahedra, and a faceface with one FeS6 octahedra. The corner-sharing octahedra tilt angles range from 0–47°. There are two shorter (2.22 Å) and one longer (2.25 Å) Nb–C bond lengths. There are one shorter (2.55 Å) and two longer (2.58 Å) Nb–S bond lengths. Fe2+ is bonded to six S2- atoms to form FeS6 octahedra that share corners with twelve NbC3S3 octahedra, edges with two equivalent FeS6 octahedra, and faces with two equivalent NbC3S3 octahedra. The corner-sharing octahedra tilt angles range from 45–47°. There are two shorter (2.40 Å) and four longer (2.41 Å) Fe–S bond lengths. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to six Nb+3.50+ atoms to form CNb6 octahedra that share corners with six equivalent SNb3Fe trigonal pyramids, edges with six CNb6 octahedra, and edges with two equivalent SNb3Fe trigonal pyramids. In the second C4- site, C4- is bonded to six Nb+3.50+ atoms to form CNb6 octahedra that share edges with six CNb6 octahedra and edges with four equivalent SNb3Fe trigonal pyramids. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three Nb+3.50+ and two equivalent Fe2+ atoms. In the second S2- site, S2- is bonded to three Nb+3.50+ and one Fe2+ atom to form distorted SNb3Fe trigonal pyramids that share corners with three equivalent CNb6 octahedra, corners with three equivalent SNb3Fe trigonal pyramids, and edges with three CNb6 octahedra. The corner-sharing octahedra tilt angles range from 10–11°.
DOI: 10.17188/1745910
title: Materials Data on K2Zn3(SeO3)4 by Materials Project

description: K2Zn3(SeO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.14 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.97–2.01 Å. In the second Zn2+ site, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.07–2.46 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.75 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.74 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Zn2+, and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Zn2+, and one Se4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, two Zn2+, and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one K1+, one Zn2+, and one Se4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Zn2+, and one Se4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Zn2+, and one Se4+ atom.
DOI: 10.17188/1745911
title: Materials Data on VCrO4 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: 10.6084/m9.figshare.1189260
title: F42B sandstone

description: Micro-CT image of F42B sandpack and extracted networks (Dong and Blunt, 2009, DOI: http://dx.doi.org/10.1103/PhysRevE.80.036307) The image can be visualised by opening the Nrrd header file F42B.nhdr in visualization software such as Paraview or ImageJ (http://fiji.sc/Fiji), You can also open the F42B.nhdr file in a text editor to see the image and voxel sizes. See the link provided for further information.
DOI: 10.17188/1745912
title: Materials Data on GdH9C5(NO4)2 by Materials Project

description: GdC5H9(NO4)2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.37–2.49 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.11 Å. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. In the third C2+ site, C2+ is bonded in a trigonal planar geometry to one N3-, one H1+, and one O2- atom. The C–N bond length is 1.32 Å. The C–H bond length is 1.10 Å. The C–O bond length is 1.25 Å. N3- is bonded in a trigonal planar geometry to one C2+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Gd3+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Gd3+ and one C2+ atom.
DOI: 10.17188/1745913
title: Materials Data on Tb3(Si3Ru)4 by Materials Project

description: Tb3(RuSi3)4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded to twelve Si2- atoms to form TbSi12 cuboctahedra that share corners with four equivalent TbSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with eight equivalent TbSi12 cuboctahedra, and faces with four equivalent RuSi7 hexagonal pyramids. There are a spread of Tb–Si bond distances ranging from 3.03–3.10 Å. In the second Tb3+ site, Tb3+ is bonded to twelve Si2- atoms to form distorted TbSi12 cuboctahedra that share corners with four equivalent TbSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with four equivalent TbSi12 cuboctahedra, edges with two equivalent RuSi7 hexagonal pyramids, and faces with four equivalent TbSi12 cuboctahedra. There are a spread of Tb–Si bond distances ranging from 2.98–3.24 Å. There are two inequivalent Ru+3.75+ sites. In the first Ru+3.75+ site, Ru+3.75+ is bonded to seven Si2- atoms to form distorted RuSi7 hexagonal pyramids that share corners with six TbSi12 cuboctahedra, corners with four equivalent RuSi7 hexagonal pyramids, edges with two equivalent TbSi12 cuboctahedra, an edgeedge with one RuSi7 hexagonal pyramid, and faces with two equivalent TbSi12 cuboctahedra. There are a spread of Ru–Si bond distances ranging from 2.37–2.52 Å. In the second Ru+3.75+ site, Ru+3.75+ is bonded in a 5-coordinate geometry to five Si2- atoms. There are one shorter (2.34 Å) and four longer (2.41 Å) Ru–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 1-coordinate geometry to four equivalent Tb3+, one Ru+3.75+, and four Si2- atoms. All Si–Si bond lengths are 2.47 Å. In the second Si2- site, Si2- is bonded in a 5-coordinate geometry to two equivalent Tb3+, three equivalent Ru+3.75+, and four Si2- atoms. All Si–Si bond lengths are 2.64 Å. In the third Si2- site, Si2- is bonded in a 2-coordinate geometry to three Tb3+, two Ru+3.75+, and four Si2- atoms. There are one shorter (2.56 Å) and one longer (2.71 Å) Si–Si bond lengths. In the fourth Si2- site, Si2- is bonded in a 2-coordinate geometry to three Tb3+, two Ru+3.75+, and four Si2- atoms.
DOI: 10.17188/1745914
title: Materials Data on K3VH6C4O13 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: 10.17188/1745915
title: Materials Data on LiPtN 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: 10.17188/1745916
title: Materials Data on Sc2InAu2 by Materials Project

description: Sc2Au2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six equivalent Au atoms. There are two shorter (2.82 Å) and four longer (2.92 Å) Sc–Au bond lengths. In the second Sc site, Sc is bonded in a 6-coordinate geometry to six equivalent Au atoms. There are two shorter (2.81 Å) and four longer (2.89 Å) Sc–Au bond lengths. Au is bonded in a 8-coordinate geometry to six Sc and two equivalent In atoms. Both Au–In bond lengths are 3.04 Å. In is bonded in a 4-coordinate geometry to four equivalent Au atoms.
DOI: 10.17188/1745918
title: Materials Data on Ca3GaN3 by Materials Project

description: Ca3GaN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ca2+ is bonded to five equivalent N3- atoms to form a mixture of corner and edge-sharing CaN5 trigonal bipyramids. There are a spread of Ca–N bond distances ranging from 2.41–2.60 Å. Ga3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Ga–N bond lengths are 1.91 Å. N3- is bonded to five equivalent Ca2+ and one Ga3+ atom to form a mixture of distorted corner and edge-sharing NCa5Ga octahedra. The corner-sharing octahedra tilt angles range from 11–51°.
DOI: 10.17188/1745919
title: Materials Data on AsXe(OF2)3 by Materials Project

description: XeO3AsF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeO3 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.74–1.81 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each XeO3 cluster, Xe is bonded in a 3-coordinate geometry to three O atoms. There is one shorter (1.86 Å) and two longer (1.93 Å) Xe–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Xe atom. In the second O site, O is bonded in a single-bond geometry to one Xe atom.
DOI: 10.17188/1745920
title: Materials Data on CsK2LaV2O8 by Materials Project

description: CsK2LaV2O8 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to eleven O2- atoms. There are a spread of Cs–O bond distances ranging from 2.82–3.47 Å. There are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.85–3.24 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.33 Å. La3+ is bonded to seven O2- atoms to form distorted LaO7 pentagonal bipyramids that share corners with five VO4 tetrahedra and an edgeedge with one VO4 tetrahedra. There are a spread of La–O bond distances ranging from 2.41–2.65 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 LaO7 pentagonal bipyramids. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent LaO7 pentagonal bipyramids and an edgeedge with one LaO7 pentagonal bipyramid. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, four K1+, and one V5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one La3+, and one V5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four K1+, one La3+, and one V5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, three K1+, one La3+, and one V5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cs1+, two K1+, one La3+, and one V5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+, one K1+, one La3+, and one V5+ atom.
DOI: 10.17188/1745921
title: Materials Data on P2Se by Materials Project

description: PPSe crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. P1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both P–Se bond lengths are 2.52 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent P1+ atoms.
DOI: 10.17188/1745922
title: Materials Data on Mn23(BC)3 by Materials Project

description: Mn23(BC)3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are ten inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted trigonal non-coplanar geometry to one Mn and three equivalent B atoms. The Mn–Mn bond length is 2.36 Å. All Mn–B bond lengths are 2.10 Å. In the second Mn site, Mn is bonded in a distorted trigonal non-coplanar geometry to one Mn, one B, and two equivalent C atoms. The Mn–Mn bond length is 2.38 Å. The Mn–B bond length is 2.12 Å. Both Mn–C bond lengths are 2.06 Å. In the third Mn site, Mn is bonded in a distorted trigonal non-coplanar geometry to one Mn and three equivalent C atoms. The Mn–Mn bond length is 2.37 Å. All Mn–C bond lengths are 2.07 Å. In the fourth Mn site, Mn is bonded in a distorted trigonal non-coplanar geometry to one Mn, two equivalent B, and one C atom. The Mn–Mn bond length is 2.38 Å. Both Mn–B bond lengths are 2.11 Å. The Mn–C bond length is 2.04 Å. In the fifth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to one Mn and two equivalent B atoms. The Mn–Mn bond length is 2.46 Å. Both Mn–B bond lengths are 2.10 Å. In the sixth Mn site, Mn is bonded in a distorted bent 150 degrees geometry to one Mn, one B, and one C atom. The Mn–Mn bond length is 2.53 Å. The Mn–B bond length is 2.10 Å. The Mn–C bond length is 2.08 Å. In the seventh Mn site, Mn is bonded in a distorted bent 150 degrees geometry to one Mn and two equivalent C atoms. The Mn–Mn bond length is 2.58 Å. Both Mn–C bond lengths are 2.09 Å. In the eighth Mn site, Mn is bonded in a 12-coordinate geometry to twelve Mn and three equivalent B atoms. All Mn–B bond lengths are 2.77 Å. In the ninth Mn site, Mn is bonded in a distorted tetrahedral geometry to four Mn atoms. In the tenth Mn site, Mn is bonded in a distorted tetrahedral geometry to four Mn atoms. B is bonded in a 8-coordinate geometry to nine Mn atoms. C is bonded in a 8-coordinate geometry to eight Mn atoms.
DOI: 10.6084/m9.figshare.1189259
title: F42A sandstone

description: Micro-CT image of F42A sandpack and extracted networks (Dong and Blunt, 2009, DOI: http://dx.doi.org/10.1103/PhysRevE.80.036307) The image can be visualised by opening the Nrrd header file F42A.nhdr in visualization software such as Paraview or ImageJ (http://fiji.sc/Fiji), You can also open the F42A.nhdr file in a text editor to see the image and voxel sizes. See the link provided for further information.
DOI: 10.5281/zenodo.4529196
title: Lobster calculations for "Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures"

description: Lobster calculations for "Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures"
DOI: 10.5281/zenodo.4529195
title: Lobster calculations for "Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures"

description: Lobster calculations for "Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures"
DOI: 10.6084/m9.figshare.13851839
title: Atlas of human gut microbiome features correlated with phenotypes

description: An atlas of robust microbiome associations with phenotypic traits based on large-scale cohorts from two continents