HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=105",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=103",
"results": [
{
"id": "mp-753991",
"created_at": "2022-09-04T14:45:12.329811Z",
"structure_string": "Mg8 Co4 O16\n1.0\n0.000000 4.204559 4.204559\n8.409117 0.000000 0.000000\n0.000000 4.204559 -4.204559\nMg Co O\n8 4 16\ndirect\n0.750000 0.250000 0.750000 Mg\n0.250000 0.750000 0.250000 Mg\n0.750000 0.250000 0.250000 Mg\n0.250000 0.750000 0.750000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.750000 0.625000 0.500000 Co\n0.250000 0.375000 0.500000 Co\n0.250000 0.125000 0.000000 Co\n0.750000 0.875000 0.000000 Co\n0.501602 0.250801 0.000000 O\n0.001602 0.750801 0.500000 O\n0.998397 0.250801 0.000000 O\n0.498397 0.750801 0.500000 O\n0.250000 0.500801 0.751602 O\n0.750000 0.000801 0.251602 O\n0.250000 0.500801 0.248398 O\n0.750000 0.000801 0.748398 O\n0.750000 0.499199 0.751602 O\n0.250000 0.999199 0.251602 O\n0.750000 0.499199 0.248398 O\n0.250000 0.999199 0.748398 O\n0.001603 0.749199 0.000000 O\n0.501603 0.249199 0.500000 O\n0.498398 0.749199 0.000000 O\n0.998398 0.249199 0.500000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Co",
"O"
],
"chemical_system": "Co-Mg-O",
"density": 3.8322621909122683,
"density_atomic": 0.09417524062199058,
"volume": 297.31806168023536,
"volume_molar": 6.394611492602641,
"formula_full": "Mg8 Co4 O16",
"formula_reduced": "Mg2CoO4",
"formula_anonymous": "AB2C4",
"energy": -180.68748751,
"energy_per_atom": -6.453124553928572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.14348751,
"band_gap": 0.7200000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.347000Z",
"spacegroup": 227
},
{
"id": "mp-558096",
"created_at": "2022-09-04T14:43:12.380989Z",
"structure_string": "Zn4 Si2 O8\n1.0\n0.000000 4.126853 4.126853\n4.126853 0.000000 4.126853\n4.126853 4.126853 0.000000\nZn Si O\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.625000 Zn\n0.125000 0.625000 0.625000 Zn\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.898179 0.367274 0.367274 O\n0.367274 0.898179 0.367274 O\n0.882726 0.882726 0.351821 O\n0.367274 0.367274 0.367274 O\n0.351821 0.882726 0.882726 O\n0.367274 0.367274 0.898179 O\n0.882726 0.351821 0.882726 O\n0.882726 0.882726 0.882726 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 5.266284422734016,
"density_atomic": 0.09959580397226196,
"volume": 140.56817096329766,
"volume_molar": 6.0465807994051675,
"formula_full": "Zn4 Si2 O8",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
"energy": -87.70954117,
"energy_per_atom": -6.264967226428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.21354117,
"band_gap": 2.3636,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.598000Z",
"spacegroup": 227
},
{
"id": "mp-18577",
"created_at": "2022-09-04T14:43:12.388852Z",
"structure_string": "K4 Ag12 S8\n1.0\n0.000000 6.672719 6.672719\n6.672719 0.000000 6.672719\n6.672719 6.672719 0.000000\nK Ag S\n4 12 8\ndirect\n0.625000 0.625000 0.625000 K\n0.125000 0.625000 0.625000 K\n0.625000 0.125000 0.625000 K\n0.625000 0.625000 0.125000 K\n0.410279 0.089721 0.410279 Ag\n0.160279 0.839721 0.160279 Ag\n0.410279 0.410279 0.089721 Ag\n0.089721 0.410279 0.410279 Ag\n0.410279 0.089721 0.089721 Ag\n0.089721 0.089721 0.410279 Ag\n0.839721 0.839721 0.160279 Ag\n0.160279 0.160279 0.839721 Ag\n0.839721 0.160279 0.839721 Ag\n0.160279 0.839721 0.839721 Ag\n0.839721 0.160279 0.160279 Ag\n0.089721 0.410279 0.089721 Ag\n0.386340 0.871220 0.871220 S\n0.378780 0.378780 0.378780 S\n0.378780 0.378780 0.863660 S\n0.378780 0.863660 0.378780 S\n0.871220 0.386340 0.871220 S\n0.863660 0.378780 0.378780 S\n0.871220 0.871220 0.871220 S\n0.871220 0.871220 0.386340 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Ag",
"S"
],
"chemical_system": "Ag-K-S",
"density": 4.771209333259251,
"density_atomic": 0.04038989620093826,
"volume": 594.2080138211021,
"volume_molar": 14.910017916461262,
"formula_full": "K4 Ag12 S8",
"formula_reduced": "KAg3S2",
"formula_anonymous": "AB2C3",
"energy": -84.81942197000001,
"energy_per_atom": -3.5341425820833337,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.79542197,
"band_gap": 1.3365999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.08e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.149000Z",
"spacegroup": 227
},
{
"id": "mp-753692",
"created_at": "2022-09-04T14:43:13.092678Z",
"structure_string": "Ho4 Ge4 O14\n1.0\n0.000000 4.999953 4.999953\n4.999953 0.000000 4.999953\n4.999953 4.999953 0.000000\nHo Ge O\n4 4 14\ndirect\n0.125000 0.625000 0.625000 Ho\n0.625000 0.625000 0.625000 Ho\n0.625000 0.125000 0.625000 Ho\n0.625000 0.625000 0.125000 Ho\n0.125000 0.625000 0.125000 Ge\n0.125000 0.125000 0.625000 Ge\n0.625000 0.125000 0.125000 Ge\n0.125000 0.125000 0.125000 Ge\n0.750000 0.750000 0.750000 O\n0.203787 0.796213 0.796213 O\n0.203787 0.796213 0.203787 O\n0.796213 0.796213 0.203787 O\n0.796213 0.203787 0.796213 O\n0.203787 0.203787 0.796213 O\n0.453787 0.046213 0.046213 O\n0.796213 0.203787 0.203787 O\n0.046213 0.046213 0.453787 O\n0.453787 0.046213 0.453787 O\n0.046213 0.453787 0.046213 O\n0.453787 0.453787 0.046213 O\n0.046213 0.453787 0.453787 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ho",
"Ge",
"O"
],
"chemical_system": "Ge-Ho-O",
"density": 7.7999239241426395,
"density_atomic": 0.08800248164665483,
"volume": 249.99295006626974,
"volume_molar": 6.8431487923033085,
"formula_full": "Ho4 Ge4 O14",
"formula_reduced": "Ho2Ge2O7",
"formula_anonymous": "A2B2C7",
"energy": -173.4026959,
"energy_per_atom": -7.881940722727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.7846959,
"band_gap": 3.0028999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005382,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.990000Z",
"spacegroup": 227
},
{
"id": "mp-5639",
"created_at": "2022-09-04T14:43:14.276982Z",
"structure_string": "Mg4 Si2 O8\n1.0\n0.000000 4.076690 4.076690\n4.076690 0.000000 4.076690\n4.076690 4.076690 0.000000\nMg Si O\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Mg\n0.625000 0.125000 0.625000 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Si\n0.880935 0.880935 0.357194 O\n0.880935 0.357194 0.880935 O\n0.357194 0.880935 0.880935 O\n0.880935 0.880935 0.880935 O\n0.369065 0.369065 0.892806 O\n0.369065 0.892806 0.369065 O\n0.892806 0.369065 0.369065 O\n0.369065 0.369065 0.369065 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.4482506933238994,
"density_atomic": 0.10331775858729564,
"volume": 135.50429462879865,
"volume_molar": 5.828756684565267,
"formula_full": "Mg4 Si2 O8",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy": -100.9360797,
"energy_per_atom": -7.209719978571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.4400797,
"band_gap": 4.7454,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001066,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.280000Z",
"spacegroup": 227
},
{
"id": "mp-204",
"created_at": "2022-09-04T14:43:14.596544Z",
"structure_string": "Ce2 Fe4\n1.0\n0.000000 3.613886 3.613886\n3.613886 0.000000 3.613886\n3.613886 3.613886 0.000000\nCe Fe\n2 4\ndirect\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Ce\n0.125000 0.125000 0.625000 Fe\n0.125000 0.625000 0.125000 Fe\n0.125000 0.125000 0.125000 Fe\n0.625000 0.125000 0.125000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Fe"
],
"chemical_system": "Ce-Fe",
"density": 8.85914532306514,
"density_atomic": 0.06356205193748074,
"volume": 94.39594564853829,
"volume_molar": 9.474427864480118,
"formula_full": "Ce2 Fe4",
"formula_reduced": "CeFe2",
"formula_anonymous": "AB2",
"energy": -46.23605183,
"energy_per_atom": -7.7060086383333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.23605183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0189593,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.731000Z",
"spacegroup": 227
},
{
"id": "mp-1201271",
"created_at": "2022-09-04T14:43:15.321287Z",
"structure_string": "Hf2 Zn44\n1.0\n0.000000 7.069303 7.069303\n7.069303 0.000000 7.069303\n7.069303 7.069303 0.000000\nHf Zn\n2 44\ndirect\n0.500000 0.500000 0.500000 Hf\n0.750000 0.750000 0.750000 Hf\n0.860489 0.860489 0.139511 Zn\n0.139511 0.139511 0.860489 Zn\n0.860489 0.139511 0.860489 Zn\n0.139511 0.860489 0.139511 Zn\n0.139511 0.860489 0.860489 Zn\n0.860489 0.139511 0.139511 Zn\n0.389511 0.389511 0.110489 Zn\n0.110489 0.110489 0.389511 Zn\n0.389511 0.110489 0.389511 Zn\n0.110489 0.389511 0.110489 Zn\n0.110489 0.389511 0.389511 Zn\n0.389511 0.110489 0.110489 Zn\n0.566611 0.306898 0.306898 Zn\n0.306898 0.566611 0.819593 Zn\n0.306898 0.819593 0.566611 Zn\n0.819593 0.306898 0.306898 Zn\n0.306898 0.306898 0.566611 Zn\n0.566611 0.819593 0.306898 Zn\n0.819593 0.566611 0.306898 Zn\n0.306898 0.306898 0.819593 Zn\n0.306898 0.566611 0.306898 Zn\n0.819593 0.306898 0.566611 Zn\n0.566611 0.306898 0.819593 Zn\n0.306898 0.819593 0.306898 Zn\n0.683389 0.943102 0.943102 Zn\n0.943102 0.683389 0.430407 Zn\n0.943102 0.430407 0.683389 Zn\n0.430407 0.943102 0.943102 Zn\n0.943102 0.943102 0.683389 Zn\n0.683389 0.430407 0.943102 Zn\n0.430407 0.683389 0.943102 Zn\n0.943102 0.943102 0.430407 Zn\n0.943102 0.683389 0.943102 Zn\n0.430407 0.943102 0.683389 Zn\n0.683389 0.943102 0.430407 Zn\n0.943102 0.430407 0.943102 Zn\n0.125000 0.625000 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.625000 0.625000 0.125000 Zn\n0.625000 0.625000 0.625000 Zn\n0.625000 0.125000 0.125000 Zn\n0.125000 0.625000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.125000 0.125000 0.125000 Zn\n",
"nsites": 46,
"nelements": 2,
"elements": [
"Hf",
"Zn"
],
"chemical_system": "Hf-Zn",
"density": 7.602569084706199,
"density_atomic": 0.06510255700045876,
"volume": 706.5774697555404,
"volume_molar": 9.250236914592406,
"formula_full": "Hf2 Zn44",
"formula_reduced": "HfZn22",
"formula_anonymous": "AB22",
"energy": -77.62636728,
"energy_per_atom": -1.6875297234782607,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.62636728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1365909,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.346000Z",
"spacegroup": 227
},
{
"id": "mp-1762",
"created_at": "2022-09-04T14:43:15.590724Z",
"structure_string": "Er2 Rh4\n1.0\n0.000000 3.764748 3.764748\n3.764748 0.000000 3.764748\n3.764748 3.764748 0.000000\nEr Rh\n2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.250000 0.250000 0.250000 Er\n0.625000 0.625000 0.625000 Rh\n0.125000 0.625000 0.625000 Rh\n0.625000 0.125000 0.625000 Rh\n0.625000 0.625000 0.125000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Rh"
],
"chemical_system": "Er-Rh",
"density": 11.609985861724452,
"density_atomic": 0.05622293599464687,
"volume": 106.71801274432335,
"volume_molar": 10.711181572896484,
"formula_full": "Er2 Rh4",
"formula_reduced": "ErRh2",
"formula_anonymous": "AB2",
"energy": -43.14577323,
"energy_per_atom": -7.190962205000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.14577323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008057,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.253000Z",
"spacegroup": 227
},
{
"id": "mp-1194188",
"created_at": "2022-09-04T14:43:15.696181Z",
"structure_string": "Nb16 Fe8 N4\n1.0\n0.000000 5.860012 5.860012\n5.860012 0.000000 5.860012\n5.860012 5.860012 0.000000\nNb Fe N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Nb\n0.625000 0.125000 0.625000 Nb\n0.625000 0.625000 0.125000 Nb\n0.625000 0.625000 0.625000 Nb\n0.814780 0.814780 0.185220 Nb\n0.185220 0.185220 0.814780 Nb\n0.814780 0.185220 0.814780 Nb\n0.185220 0.814780 0.185220 Nb\n0.185220 0.814780 0.814780 Nb\n0.814780 0.185220 0.185220 Nb\n0.435220 0.435220 0.064780 Nb\n0.064780 0.064780 0.435220 Nb\n0.435220 0.064780 0.435220 Nb\n0.064780 0.435220 0.064780 Nb\n0.064780 0.435220 0.435220 Nb\n0.435220 0.064780 0.064780 Nb\n0.742671 0.419110 0.419110 Fe\n0.419110 0.742671 0.419110 Fe\n0.419110 0.419110 0.742671 Fe\n0.419110 0.419110 0.419110 Fe\n0.507329 0.830890 0.830890 Fe\n0.830890 0.507329 0.830890 Fe\n0.830890 0.830890 0.507329 Fe\n0.830890 0.830890 0.830890 Fe\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"N"
],
"chemical_system": "Fe-N-Nb",
"density": 8.207699367770518,
"density_atomic": 0.06957168462710314,
"volume": 402.4625844562631,
"volume_molar": 8.656022622246445,
"formula_full": "Nb16 Fe8 N4",
"formula_reduced": "Nb4Fe2N",
"formula_anonymous": "AB2C4",
"energy": -276.15803149000004,
"energy_per_atom": -9.862786838928573,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.71403149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0009034,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:11.930000Z",
"spacegroup": 227
},
{
"id": "mp-1191960",
"created_at": "2022-09-04T14:43:15.737279Z",
"structure_string": "Zr16 Pt8\n1.0\n0.000000 6.314770 6.314770\n6.314770 0.000000 6.314770\n6.314770 6.314770 0.000000\nZr Pt\n16 8\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.812073 0.812073 0.187927 Zr\n0.187927 0.187927 0.812073 Zr\n0.812073 0.187927 0.812073 Zr\n0.187927 0.812073 0.187927 Zr\n0.187927 0.812073 0.812073 Zr\n0.812073 0.187927 0.187927 Zr\n0.437927 0.437927 0.062073 Zr\n0.062073 0.062073 0.437927 Zr\n0.437927 0.062073 0.437927 Zr\n0.062073 0.437927 0.062073 Zr\n0.062073 0.437927 0.437927 Zr\n0.437927 0.062073 0.062073 Zr\n0.784806 0.405065 0.405065 Pt\n0.405065 0.784806 0.405065 Pt\n0.405065 0.405065 0.784806 Pt\n0.405065 0.405065 0.405065 Pt\n0.465194 0.844935 0.844935 Pt\n0.844935 0.465194 0.844935 Pt\n0.844935 0.844935 0.465194 Pt\n0.844935 0.844935 0.844935 Pt\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 9.958415586050304,
"density_atomic": 0.04765501766194456,
"volume": 503.6195804238567,
"volume_molar": 12.636950011685856,
"formula_full": "Zr16 Pt8",
"formula_reduced": "Zr2Pt",
"formula_anonymous": "AB2",
"energy": -202.23307008,
"energy_per_atom": -8.42637792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.23307008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008055,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.731000Z",
"spacegroup": 227
},
{
"id": "mp-1402738",
"created_at": "2022-09-04T14:43:15.868411Z",
"structure_string": "Mg2 Mn4 S8\n1.0\n0.000000 5.154720 5.154720\n5.154720 0.000000 5.154720\n5.154720 5.154720 0.000000\nMg Mn S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.625000 0.625000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.625000 0.125000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.862989 0.862989 0.862989 S\n0.838967 0.387011 0.387011 S\n0.387011 0.387011 0.838967 S\n0.387011 0.838967 0.387011 S\n0.862989 0.862989 0.411033 S\n0.862989 0.411033 0.862989 S\n0.387011 0.387011 0.387011 S\n0.411033 0.862989 0.862989 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S",
"density": 3.1817473498850193,
"density_atomic": 0.051107283875670206,
"volume": 273.9335558128681,
"volume_molar": 11.78333165708863,
"formula_full": "Mg2 Mn4 S8",
"formula_reduced": "Mg(MnS2)2",
"formula_anonymous": "AB2C4",
"energy": -87.39576986,
"energy_per_atom": -6.24255499,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.37176986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.124000Z",
"spacegroup": 227
},
{
"id": "mp-1388705",
"created_at": "2022-09-04T14:43:16.093852Z",
"structure_string": "Mn4 Zn2 O8\n1.0\n0.000000 4.298090 4.298090\n4.298090 0.000000 4.298090\n4.298090 4.298090 0.000000\nMn Zn O\n4 2 8\ndirect\n0.125000 0.125000 0.125000 Mn\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.125000 0.625000 0.125000 Mn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n0.885876 0.342372 0.885876 O\n0.364124 0.364124 0.907628 O\n0.364124 0.364124 0.364124 O\n0.907628 0.364124 0.364124 O\n0.885876 0.885876 0.885876 O\n0.342372 0.885876 0.885876 O\n0.364124 0.907628 0.364124 O\n0.885876 0.885876 0.342372 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 5.004190848001296,
"density_atomic": 0.08815998842577093,
"volume": 158.80219870704428,
"volume_molar": 6.830922811509362,
"formula_full": "Mn4 Zn2 O8",
"formula_reduced": "Mn2ZnO4",
"formula_anonymous": "AB2C4",
"energy": -105.41225191,
"energy_per_atom": -7.529446565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.24425191,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9999973,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.483000Z",
"spacegroup": 227
}
]
}