cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1287254
title: Materials Data on PH5NO4 by Materials Project

description: NH4HPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. N2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are a spread of N–H bond distances ranging from 1.05–1.07 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N2- and one O2- atom. The H–O bond length is 1.74 Å. In the fourth H1+ site, H1+ is bonded in a distorted bent 150 degrees geometry to one N2- and one O2- atom. The H–O bond length is 1.61 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted tetrahedral geometry to one P5+ and three H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one H1+ atom.
DOI: 10.17188/1287255
title: Materials Data on Cs2CuH12(SO7)2 by Materials Project

description: Cs2CuH12(SO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to one H1+ and eight O2- atoms. The Cs–H bond length is 3.18 Å. There are a spread of Cs–O bond distances ranging from 3.07–3.62 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.87 Å) and two longer (2.14 Å) Cu–O bond lengths. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Cs1+ and one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.09 Å) and one longer (1.36 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.08 Å) and one longer (1.40 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.58 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Cu2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cs1+ and three H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Cs1+, one Cu2+, and two H1+ atoms. In the seventh O2- site, O2- is bonded in a water-like geometry to one Cs1+, one H1+, and one S6+ atom.
DOI: 10.17188/1287256
title: Materials Data on ReH22C4S4N8Cl8O3 by Materials Project

description: ReH4(OCl3)2(CN2H4S)4H2OCl2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ac1nqwuv molecules, eight hydrochloric acid molecules, four water molecules, and four ReH4(OCl3)2 clusters. In each ReH4(OCl3)2 cluster, Re7+ is bonded in an octahedral geometry to one O2- and five Cl1- atoms. The Re–O bond length is 2.10 Å. There are three shorter (2.36 Å) and two longer (2.37 Å) Re–Cl bond lengths. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.01 Å. The H–Cl bond length is 2.02 Å. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.53 Å) H–O bond length. In the third 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 two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Re7+ and two H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one H1+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom.
DOI: 10.17188/1287257
title: Materials Data on ZnB8(H2N)4 by Materials Project

description: ZnN4(BH)8 crystallizes in the tetragonal P4_2/nmc space group. The structure is zero-dimensional and consists of sixteen boranediylradical molecules and two ZnN4 clusters. In each ZnN4 cluster, Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 2.02 Å. N3- is bonded in a single-bond geometry to one Zn2+ atom.
DOI: 10.6084/m9.figshare.13667940
title: Additional file 10 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 10: Table S9. Disease associated genes diverged from mouse.
DOI: 10.17188/1287258
title: Materials Data on Na3H6S2NO10 by Materials Project

description: Na3NH6S2O10 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two Na3NH6S2O10 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.60 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.50–2.66 Å. N1- is bonded in a trigonal non-coplanar geometry to two equivalent S6+ and one O2- atom. Both N–S bond lengths are 1.77 Å. The N–O bond length is 1.40 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 O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.72 Å) H–O bond length. S6+ is bonded to one N1- and three O2- atoms to form corner-sharing SNO3 tetrahedra. There are a spread of S–O bond distances ranging from 1.46–1.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Na1+, one N1-, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms.
DOI: 10.17188/1287259
title: Materials Data on BaH8PtC4(NO)4 by Materials Project

description: BaPtC4H8(NO)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to four N3- and six O2- atoms. There are two shorter (2.89 Å) and two longer (3.10 Å) Ba–N bond lengths. There are a spread of Ba–O bond distances ranging from 2.88–3.18 Å. Pt2+ is bonded in a distorted square co-planar geometry to four C2+ atoms. There is two shorter (1.99 Å) and two longer (2.00 Å) Pt–C bond length. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one Pt2+ and one N3- atom. The C–N bond length is 1.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to one Ba2+ and one C2+ atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Ba2+ and one C2+ atom. 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 O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Ba2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Ba2+ and two H1+ atoms.
DOI: 10.6084/m9.figshare.13667940.v1
title: Additional file 10 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 10: Table S9. Disease associated genes diverged from mouse.
DOI: 10.6084/m9.figshare.13667943.v1
title: Additional file 11 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 11: Table S10. All genes, module assignments and divergence scores.
DOI: 10.6084/m9.figshare.13667946
title: Additional file 12 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 12: Table S11. Cell type marker lists used in analyses.
DOI: 10.17188/1287260
title: Materials Data on KZnH4Br3O2 by Materials Project

description: KZnH4O2Br3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 2-coordinate geometry to two O2- and six Br1- atoms. There are one shorter (2.84 Å) and one longer (2.89 Å) K–O bond lengths. There are a spread of K–Br bond distances ranging from 3.40–3.74 Å. Zn2+ is bonded in a tetrahedral geometry to one O2- and three Br1- atoms. The Zn–O bond length is 2.12 Å. There are a spread of Zn–Br bond distances ranging from 2.39–2.42 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Zn2+, and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one K1+ and two H1+ atoms. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to one K1+ and one Zn2+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one Zn2+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Zn2+ atom.
DOI: 10.6084/m9.figshare.13667943
title: Additional file 11 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 11: Table S10. All genes, module assignments and divergence scores.
DOI: 10.17188/1287261
title: Materials Data on Na2Te2H4O7 by Materials Project

description: Na2H4Te2O7 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five O2- atoms to form edge-sharing NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.40–2.46 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted edge-sharing NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.37–2.61 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 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.75 Å) H–O bond length. 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 two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.50 Å. In the second Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.17 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Te4+ atoms to form distorted edge-sharing ONa2Te2 tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one H1+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ and two H1+ atoms.
DOI: 10.6084/m9.figshare.13667955.v1
title: Additional file 2 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 2: Table S1. Total number of samples and test datasets underlying each module preservation test.
DOI: 10.6084/m9.figshare.13667958
title: Additional file 3 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 3: Table S2. Reference of all expression datasets utilized in this study.
DOI: 10.6084/m9.figshare.13667958.v1
title: Additional file 3 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 3: Table S2. Reference of all expression datasets utilized in this study.
DOI: 10.6084/m9.figshare.13667961
title: Additional file 4 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 4: Table S3. Consensus divergence scores for genes in human Whole Brain modules.
DOI: 10.6084/m9.figshare.13667961.v1
title: Additional file 4 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 4: Table S3. Consensus divergence scores for genes in human Whole Brain modules.
DOI: 10.6084/m9.figshare.13667964
title: Additional file 5 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 5: Table S4. Consensus divergence scores for genes in mouse Whole Brain modules.
DOI: 10.17188/1287262
title: Materials Data on ReH12C2S2N4Cl5O3 by Materials Project

description: (ReH2(OCl2)2)2(CN2H4S)4(H2O)2Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ac1nqwuv molecules, four hydrochloric acid molecules, four water molecules, and four ReH2(OCl2)2 clusters. In each ReH2(OCl2)2 cluster, Re7+ is bonded in a distorted octahedral geometry to two O2- and four Cl1- atoms. There are one shorter (1.70 Å) and one longer (2.31 Å) Re–O bond lengths. There are a spread of Re–Cl bond distances ranging from 2.35–2.39 Å. There are two 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 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Re7+ and two H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom.
DOI: 10.6084/m9.figshare.13667967
title: Additional file 6 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 6: Table S5. Transcription factor binding site enrichment analysis for diverged genes of consensus cell type modules.
DOI: 10.6084/m9.figshare.13667970
title: Additional file 7 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 7: Table S6. Top 100 gene pair correlation divergences for human Whole Brain modules.
DOI: 10.6084/m9.figshare.13667967.v1
title: Additional file 6 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 6: Table S5. Transcription factor binding site enrichment analysis for diverged genes of consensus cell type modules.
DOI: 10.6084/m9.figshare.13667970.v1
title: Additional file 7 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 7: Table S6. Top 100 gene pair correlation divergences for human Whole Brain modules.
DOI: 10.6084/m9.figshare.13667973
title: Additional file 8 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 8: Table S7. Region-specific divergent genes.
DOI: 10.6084/m9.figshare.13667973.v1
title: Additional file 8 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 8: Table S7. Region-specific divergent genes.
DOI: 10.6084/m9.figshare.13667946.v1
title: Additional file 12 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 12: Table S11. Cell type marker lists used in analyses.
DOI: 10.6084/m9.figshare.13667976
title: Additional file 9 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 9: Table S8. High confidence disease associated genes diverged from mouse.
DOI: 10.6084/m9.figshare.13667976.v1
title: Additional file 9 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 9: Table S8. High confidence disease associated genes diverged from mouse.
DOI: 10.6084/m9.figshare.13667955
title: Additional file 2 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 2: Table S1. Total number of samples and test datasets underlying each module preservation test.
DOI: 10.6084/m9.figshare.13667964.v1
title: Additional file 5 of Evolutionary conservation and divergence of the human brain transcriptome

description: Additional file 5: Table S4. Consensus divergence scores for genes in mouse Whole Brain modules.
DOI: 10.17188/1287285
title: Materials Data on BeH8(NF2)2 (SG:62) 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.13667985.v1
title: Additional file 1 of Reference values for the short forms of the Singapore Caregiver Quality of Life Scale

description: Additional file 1.
DOI: 10.6084/m9.figshare.13667985
title: Additional file 1 of Reference values for the short forms of the Singapore Caregiver Quality of Life Scale

description: Additional file 1.
DOI: 10.17188/1287289
title: Materials Data on Sr2C2N3 by Materials Project

description: Sr4(CN2)3C crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional and consists of four methane molecules and one Sr4(CN2)3 framework. In the Sr4(CN2)3 framework, there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. All Sr–N bond lengths are 2.59 Å. In the second Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four N3- atoms. All Sr–N bond lengths are 2.63 Å. In the third Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Sr–N bond lengths are 2.63 Å. There are two inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. In the second C+2.50+ site, C+2.50+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three Sr2+ and one C+2.50+ atom to form a mixture of distorted corner and edge-sharing NSr3C tetrahedra. In the second N3- site, N3- is bonded to three Sr2+ and one C+2.50+ atom to form a mixture of distorted corner and edge-sharing NSr3C tetrahedra.