cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1699341
title: Materials Data on KSbP(O2F)2 by Materials Project

description: KSbP(O2F)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four O2- and four F1- atoms. There are a spread of K–O bond distances ranging from 2.92–3.08 Å. There are a spread of K–F bond distances ranging from 2.65–2.89 Å. Sb5+ is bonded to three O2- and two F1- atoms to form SbO3F2 square pyramids that share corners with three equivalent PO4 tetrahedra. There are a spread of Sb–O bond distances ranging from 2.08–2.12 Å. There is one shorter (1.93 Å) and one longer (2.00 Å) Sb–F bond length. P4+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent SbO3F2 square pyramids. There are a spread of P–O bond distances ranging from 1.50–1.58 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one P4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one P4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Sb5+, and one P4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Sb5+, and one P4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Sb5+ atom.
DOI: 10.17188/1699342
title: Materials Data on CuAuClO2 by Materials Project

description: AuCuO2Cl crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two Cl1- atoms. There are one shorter (2.06 Å) and one longer (2.10 Å) Au–O bond lengths. There are one shorter (2.41 Å) and one longer (2.42 Å) Au–Cl bond lengths. In the second Au3+ site, Au3+ is bonded in a distorted rectangular see-saw-like geometry to two O2- and two Cl1- atoms. There are one shorter (2.04 Å) and one longer (2.07 Å) Au–O bond lengths. There are one shorter (2.38 Å) and one longer (2.39 Å) Au–Cl bond lengths. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is three shorter (1.90 Å) and one longer (1.92 Å) Cu–O bond length. In the second Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.92–1.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Au3+ and two Cu2+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Au3+ and two Cu2+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Au3+ and two Cu2+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Au3+ and two Cu2+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to two Au3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to two Au3+ atoms.
DOI: 10.17188/1699343
title: Materials Data on PrFe4(CuO4)3 by Materials Project

description: PrFe4(CuO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pr4+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share faces with eight equivalent FeO6 octahedra. All Pr–O bond lengths are 2.65 Å. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with two equivalent PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 45°. All Fe–O bond lengths are 2.03 Å. Cu+2.67+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.89 Å. O2- is bonded in a 3-coordinate geometry to one Pr4+, two equivalent Fe3+, and one Cu+2.67+ atom.
DOI: 10.17188/1699344
title: Materials Data on BiPd2Au by Materials Project

description: Pd2AuBi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Bi atoms. All Pd–Au bond lengths are 2.90 Å. All Pd–Bi bond lengths are 2.90 Å. Au is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Bi atoms. All Au–Bi bond lengths are 3.35 Å. Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Au atoms.
DOI: 10.17188/1699345
title: Materials Data on YW2O9 by Materials Project

description: YW2O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.29–2.54 Å. W is bonded to six O atoms to form distorted edge-sharing WO6 octahedra. There are a spread of W–O bond distances ranging from 1.81–2.14 Å. There are six inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent W atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to one Y and two equivalent W atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one Y and one W atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Y and two equivalent W atoms. In the fifth O site, O is bonded in a linear geometry to one Y and one W atom. In the sixth O site, O is bonded in a single-bond geometry to one Y atom.
DOI: 10.17188/1699346
title: Materials Data on DyB2Ru by Materials Project

description: DyRuB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight equivalent B3- atoms. There are a spread of Dy–B bond distances ranging from 2.64–2.98 Å. Ru3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. There are a spread of Ru–B bond distances ranging from 2.24–2.29 Å. B3- is bonded in a 9-coordinate geometry to four equivalent Dy3+, three equivalent Ru3+, and two equivalent B3- atoms. There is one shorter (1.77 Å) and one longer (1.85 Å) B–B bond length.
DOI: 10.17188/1699347
title: Materials Data on ZnFeBi by Materials Project

description: FeZnBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Fe is bonded to six equivalent Zn and four equivalent Bi atoms to form distorted FeZn6Bi4 tetrahedra that share corners with four equivalent ZnFe6Bi4 tetrahedra, corners with six equivalent FeZn6Bi4 tetrahedra, edges with six equivalent ZnFe6Bi4 tetrahedra, and faces with twelve equivalent FeZn6Bi4 tetrahedra. All Fe–Zn bond lengths are 3.26 Å. All Fe–Bi bond lengths are 2.83 Å. Zn is bonded to six equivalent Fe and four equivalent Bi atoms to form distorted ZnFe6Bi4 tetrahedra that share corners with four equivalent FeZn6Bi4 tetrahedra, corners with six equivalent ZnFe6Bi4 tetrahedra, edges with six equivalent FeZn6Bi4 tetrahedra, and faces with twelve equivalent ZnFe6Bi4 tetrahedra. All Zn–Bi bond lengths are 2.83 Å. Bi is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Zn atoms.
DOI: 10.17188/1699348
title: Materials Data on Cs3Mn4(PO3)12 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.13679179
title: Efficacy of Internet-based cognitive behavioral therapy and applied relaxation for tinnitus distress in the United States (ICBT vs IAR study): A Randomized Clinical Trial

description: This data set was generated as a part of the clinical trial to examine the efficacy of the Internet-based cognitive behavioural therapy (ICBT) and applied relaxation (IAR) for tinnitus distress in the US population (Clinicaltrials.gov registration no NCT04335812). The study used a parallel randomized controlled trial (RCT) design (n=126).<b> </b>Both the ICBT and IAR treatments were undertaken as Internet-based interventions with minimal guidance from an audiologist. The ICBT group received the full CBT program over an 8 week period. The IAR group received 8 weeks of only applied relaxation before having access to the other CBT modules for a further 4 weeks.<br>The attached documents include the dataset, demographic questionnaire and metadata which provide additional details about the dataset.<br>
DOI: 10.17188/1699351
title: Materials Data on CrN4Cl2O3 by Materials Project

description: CrN(OCl)2N2NO crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two nitrogen gas molecules, two nitroxyl molecules, and one CrN(OCl)2 cluster. In the CrN(OCl)2 cluster, Cr6+ is bonded in a 4-coordinate geometry to one N+0.50+ and three O2- atoms. The Cr–N bond length is 1.56 Å. There are a spread of Cr–O bond distances ranging from 1.89–2.05 Å. N+0.50+ is bonded in a single-bond geometry to one Cr6+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Cr6+ and one Cl1- atom. The O–Cl bond length is 1.66 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr6+ and one Cl1- atom. The O–Cl bond length is 1.70 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one O2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one O2- atom.
DOI: 10.17188/1699352
title: Materials Data on Sr(PO3)2 by Materials Project

description: Sr(PO3)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Sr(PO3)2 sheet oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.76 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. In the second P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.49 Å) and two longer (1.50 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom.
DOI: 10.17188/1699354
title: Materials Data on Cs2EuCl5 by Materials Project

description: Cs2EuCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.60–4.14 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.56–3.90 Å. Eu3+ is bonded to six Cl1- atoms to form corner-sharing EuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Eu–Cl bond distances ranging from 2.68–2.78 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Eu3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Eu3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Cs1+ and one Eu3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted linear geometry to four Cs1+ and two equivalent Eu3+ atoms.
DOI: 10.17188/1699355
title: Materials Data on SNF3 by Materials Project

description: NSF3 is Cubane-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four amino-sulfur trifluoride molecules. N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.43 Å. S2- is bonded in a distorted trigonal pyramidal geometry to one N5+ and three F1- atoms. All S–F bond lengths are 1.59 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom.
DOI: 10.17188/1699356
title: Materials Data on Ca3V2(SiO4)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: 10.17188/1699357
title: Materials Data on Nd(Co2B)6 by Materials Project

description: NdCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Nd–B bond lengths are 3.05 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. All Co–B bond lengths are 2.04 Å. In the second Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. All Co–B bond lengths are 2.10 Å. B3- is bonded in a 7-coordinate geometry to one Nd3+ and seven Co+1.25+ atoms.
DOI: 10.17188/1699358
title: Materials Data on LiCd2Ni by Materials Project

description: LiNiCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Li–Cd bond lengths are 2.77 Å. Ni is bonded in a distorted body-centered cubic geometry to eight equivalent Cd atoms. All Ni–Cd bond lengths are 2.77 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ni atoms.
DOI: 10.17188/1699359
title: Materials Data on U(Al10Cr)2 by Materials Project

description: U(CrAl10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.11 Å) and twelve longer (3.17 Å) U–Al bond lengths. Cr is bonded to twelve Al atoms to form CrAl12 cuboctahedra that share corners with six equivalent CrAl12 cuboctahedra, edges with eighteen equivalent AlUAl10Cr cuboctahedra, and faces with six equivalent AlUAl10Cr cuboctahedra. There are six shorter (2.54 Å) and six longer (2.78 Å) Cr–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent U and twelve equivalent Al atoms. All Al–Al bond lengths are 3.07 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.82 Å. In the third Al site, Al is bonded to one U, one Cr, and ten Al atoms to form distorted AlUAl10Cr cuboctahedra that share corners with fifteen equivalent AlUAl10Cr cuboctahedra, edges with two equivalent AlUAl10Cr cuboctahedra, edges with three equivalent CrAl12 cuboctahedra, a faceface with one CrAl12 cuboctahedra, and faces with fifteen equivalent AlUAl10Cr cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.68–2.90 Å.
DOI: 10.17188/1699360
title: Materials Data on CrPb2F7 by Materials Project

description: CrPb2F7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cr3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Cr–F bond distances ranging from 1.93–1.97 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Pb–F bond distances ranging from 2.37–2.90 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.44–2.75 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Cr3+ and two Pb2+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Cr3+ and two Pb2+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to three Pb2+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cr3+ and two Pb2+ atoms. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Cr3+ and two equivalent Pb2+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Cr3+ and one Pb2+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to one Cr3+ and two Pb2+ atoms.
DOI: 10.17188/1699361
title: Materials Data on Yb2InPb by Materials Project

description: Yb2InPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent In and four equivalent Pb atoms. All Yb–In bond lengths are 3.34 Å. All Yb–Pb bond lengths are 3.34 Å. In is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1699362
title: Materials Data on Li2VO2F 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: 10.17188/1699363
title: Materials Data on NaTbH2S2O9 by Materials Project

description: NaTbH2S2O9 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.91 Å. Tb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.39–2.47 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Tb3+, and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Tb3+, and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Tb3+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Tb3+, and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Tb3+ and two equivalent H1+ atoms.
DOI: 10.17188/1699364
title: Materials Data on MgGa3 by Materials Project

description: MgGa3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to six equivalent Ga atoms. All Mg–Ga bond lengths are 2.94 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to six equivalent Ga atoms. All Ga–Ga bond lengths are 2.84 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Ga atoms.
DOI: 10.17188/1699365
title: Materials Data on PrMg(BO2)5 by Materials Project

description: MgPr(BO2)5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.08–2.37 Å. Pr3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pr–O bond distances ranging from 2.37–2.95 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.50 Å. In the second B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.47–1.50 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.38 Å) B–O bond length. In the fourth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.51 Å. In the fifth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Pr3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+, one Pr3+, and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Pr3+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+, one Pr3+, and two B3+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mg2+, one Pr3+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pr3+ and one B3+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pr3+ and two B3+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two B3+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pr3+ and two B3+ atoms.
DOI: 10.17188/1699366
title: Materials Data on C(NO)2 by Materials Project

description: N2CO2 is alpha Np structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four diaziridine molecules and four dinitromethane molecules.