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=-formula_full&page=12142",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=12140",
"results": [
{
"id": "mp-1236920",
"created_at": "2022-09-04T14:45:17.934812Z",
"structure_string": "Ag2 Sb6 Pb2 S12\n1.0\n5.864253 0.000000 0.000000\n0.000000 7.586258 0.000000\n0.000000 4.200440 14.751674\nAg Sb Pb S\n2 6 2 12\ndirect\n0.820986 0.260164 0.710155 Ag\n0.179014 0.260164 0.210155 Ag\n0.265927 0.341967 0.969373 Sb\n0.314671 0.668430 0.532748 Sb\n0.712241 0.650422 0.749370 Sb\n0.287759 0.650422 0.249370 Sb\n0.685329 0.668430 0.032748 Sb\n0.734073 0.341967 0.469373 Sb\n0.324760 0.015095 0.775498 Pb\n0.675240 0.015095 0.275498 Pb\n0.823593 0.929641 0.795743 S\n0.176407 0.929641 0.295743 S\n0.068045 0.531062 0.700039 S\n0.931955 0.531062 0.200039 S\n0.466769 0.860228 0.111760 S\n0.470802 0.218425 0.382613 S\n0.529198 0.218425 0.882613 S\n0.533231 0.860228 0.611760 S\n0.328381 0.679578 0.925536 S\n0.671619 0.679578 0.425536 S\n0.543628 0.344989 0.097165 S\n0.456372 0.344989 0.597165 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"Pb",
"S"
],
"chemical_system": "Ag-Pb-S-Sb",
"density": 4.416532852230934,
"density_atomic": 0.0335228603126795,
"volume": 656.2685819407493,
"volume_molar": 17.964280803694486,
"formula_full": "Ag2 Sb6 Pb2 S12",
"formula_reduced": "AgSb3PbS6",
"formula_anonymous": "ABC3D6",
"energy": -97.29953093999998,
"energy_per_atom": -4.422705951818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.26353094,
"band_gap": 1.2338000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0801676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.019000Z",
"spacegroup": 7
},
{
"id": "mp-1199846",
"created_at": "2022-09-04T14:41:05.399887Z",
"structure_string": "Ag2 Sb6 I2 F48\n1.0\n9.145450 5.340018 0.000000\n-9.145450 5.340018 0.000000\n0.000000 0.517905 9.815344\nAg Sb I F\n2 6 2 48\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.341981 0.174582 0.751506 Sb\n0.825418 0.658019 0.748494 Sb\n0.828585 0.171415 0.750000 Sb\n0.174582 0.341981 0.251506 Sb\n0.171415 0.828585 0.250000 Sb\n0.658019 0.825418 0.248494 Sb\n0.333409 0.666591 0.750000 I\n0.666591 0.333409 0.250000 I\n0.327606 0.318037 0.853216 F\n0.988777 0.673838 0.840303 F\n0.680425 0.008588 0.852884 F\n0.318037 0.327606 0.353216 F\n0.008588 0.680425 0.352884 F\n0.673838 0.988777 0.340303 F\n0.672394 0.681963 0.146784 F\n0.011223 0.326162 0.159697 F\n0.319575 0.991412 0.147116 F\n0.681963 0.672394 0.646784 F\n0.991412 0.319575 0.647116 F\n0.326162 0.011223 0.659697 F\n0.485521 0.311670 0.625372 F\n0.834875 0.527326 0.625850 F\n0.694045 0.174499 0.628365 F\n0.311670 0.485521 0.125372 F\n0.174499 0.694045 0.128365 F\n0.527326 0.834875 0.125850 F\n0.514479 0.688330 0.374628 F\n0.165125 0.472674 0.374150 F\n0.305955 0.825501 0.371635 F\n0.688330 0.514479 0.874628 F\n0.825501 0.305955 0.871635 F\n0.472674 0.165125 0.874150 F\n0.190754 0.524576 0.861354 F\n0.330444 0.803723 0.856126 F\n0.470443 0.662639 0.856162 F\n0.524576 0.190754 0.361354 F\n0.662639 0.470443 0.356162 F\n0.803723 0.330444 0.356126 F\n0.809246 0.475424 0.138646 F\n0.669556 0.196277 0.143874 F\n0.529557 0.337361 0.143838 F\n0.475424 0.809246 0.638646 F\n0.337361 0.529557 0.643838 F\n0.196277 0.669556 0.643874 F\n0.189339 0.166905 0.640898 F\n0.976394 0.821886 0.625477 F\n0.843061 0.027216 0.635078 F\n0.166905 0.189339 0.140898 F\n0.027216 0.843061 0.135078 F\n0.821886 0.976394 0.125477 F\n0.810661 0.833095 0.359102 F\n0.023606 0.178114 0.374523 F\n0.156939 0.972784 0.364922 F\n0.833095 0.810661 0.859102 F\n0.972784 0.156939 0.864922 F\n0.178114 0.023606 0.874523 F\n",
"nsites": 58,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"I",
"F"
],
"chemical_system": "Ag-F-I-Sb",
"density": 3.6581843738680955,
"density_atomic": 0.06049850910598431,
"volume": 958.7013111082242,
"volume_molar": 9.954196969465997,
"formula_full": "Ag2 Sb6 I2 F48",
"formula_reduced": "AgSb3IF24",
"formula_anonymous": "ABC3D24",
"energy": -256.55839506,
"energy_per_atom": -4.423420604482759,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -234.38239506,
"band_gap": 0.2893999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0109363,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.950000Z",
"spacegroup": 15
},
{
"id": "mp-1229079",
"created_at": "2022-09-04T14:44:53.501339Z",
"structure_string": "Ag2 Sb2 W2 O14\n1.0\n-3.638080 3.710954 5.240639\n3.638080 -3.710954 5.240639\n3.638080 3.710954 -5.240639\nAg Sb W O\n2 2 2 14\ndirect\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.418952 0.668952 0.750000 O\n0.581048 0.331048 0.250000 O\n0.326320 0.076320 0.250000 O\n0.943082 0.693082 0.250000 O\n0.310566 0.680745 0.244825 O\n0.935921 0.065741 0.255175 O\n0.310566 0.065741 0.629821 O\n0.935921 0.680745 0.870179 O\n0.673680 0.923680 0.750000 O\n0.056918 0.306918 0.750000 O\n0.689434 0.319255 0.755175 O\n0.064079 0.934259 0.744825 O\n0.689434 0.934259 0.370179 O\n0.064079 0.319255 0.129821 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"W",
"O"
],
"chemical_system": "Ag-O-Sb-W",
"density": 6.166234105804218,
"density_atomic": 0.07066883698426232,
"volume": 283.0101761042696,
"volume_molar": 8.521635585061501,
"formula_full": "Ag2 Sb2 W2 O14",
"formula_reduced": "AgSbWO7",
"formula_anonymous": "ABCD7",
"energy": -139.30531476,
"energy_per_atom": -6.965265737999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.81131476,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1214928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.523000Z",
"spacegroup": 74
},
{
"id": "mp-1229025",
"created_at": "2022-09-04T14:41:24.097490Z",
"structure_string": "Ag2 Sb2 Te4\n1.0\n6.140985 0.000000 0.000000\n0.000000 6.140985 0.000000\n0.000000 0.000000 6.068290\nAg Sb Te\n2 2 4\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.500000 0.000000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Te"
],
"chemical_system": "Ag-Sb-Te",
"density": 7.035979497854548,
"density_atomic": 0.034958081180258865,
"volume": 228.84551239378865,
"volume_molar": 17.226748599121496,
"formula_full": "Ag2 Sb2 Te4",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
"energy": -27.69868951,
"energy_per_atom": -3.46233618875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.01068951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.069000Z",
"spacegroup": 123
},
{
"id": "mp-33683",
"created_at": "2022-09-04T14:40:31.237638Z",
"structure_string": "Ag2 Sb2 Se4\n1.0\n-2.869752 2.869752 5.884839\n2.869752 -2.869752 5.884839\n2.869752 2.869752 -5.884839\nAg Sb Se\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.753415 0.753415 0.000000 Se\n0.996585 0.496585 0.500000 Se\n0.503415 0.003415 0.500000 Se\n0.246585 0.246585 0.000000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Se"
],
"chemical_system": "Ag-Sb-Se",
"density": 6.639287966234777,
"density_atomic": 0.04126735894286918,
"volume": 193.85781414011146,
"volume_molar": 14.59298805222087,
"formula_full": "Ag2 Sb2 Se4",
"formula_reduced": "AgSbSe2",
"formula_anonymous": "ABC2",
"energy": -31.10782339,
"energy_per_atom": -3.88847792375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21982339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.806000Z",
"spacegroup": 141
},
{
"id": "mp-34371",
"created_at": "2022-09-04T14:44:28.937047Z",
"structure_string": "Ag2 Sb2 S4\n1.0\n-2.746379 2.746379 5.714237\n2.746379 -2.746379 5.714237\n2.746379 2.746379 -5.714237\nAg Sb S\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.757805 0.757805 0.000000 S\n0.242195 0.242195 0.000000 S\n0.992195 0.492195 0.500000 S\n0.507805 0.007805 0.500000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-S-Sb",
"density": 5.658872539648768,
"density_atomic": 0.04640350735869211,
"volume": 172.40076139420253,
"volume_molar": 12.97777065308827,
"formula_full": "Ag2 Sb2 S4",
"formula_reduced": "AgSbS2",
"formula_anonymous": "ABC2",
"energy": -33.51750808,
"energy_per_atom": -4.18968851,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.50550808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.082000Z",
"spacegroup": 141
},
{
"id": "mp-559602",
"created_at": "2022-09-04T14:41:47.759525Z",
"structure_string": "Ag2 Sb2 S32 F12\n1.0\n4.127113 9.231520 0.000000\n-4.127113 9.231520 0.000000\n0.000000 3.260429 16.050128\nAg Sb S F\n2 2 32 12\ndirect\n0.166867 0.833133 0.750000 Ag\n0.833133 0.166867 0.250000 Ag\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.086974 0.275808 0.582930 S\n0.990326 0.714774 0.936985 S\n0.298923 0.899467 0.171071 S\n0.958692 0.359786 0.332844 S\n0.100533 0.701077 0.328929 S\n0.098396 0.065931 0.849299 S\n0.523628 0.215587 0.258377 S\n0.901604 0.934069 0.150701 S\n0.215587 0.523628 0.758377 S\n0.784413 0.476372 0.241623 S\n0.899467 0.298923 0.671071 S\n0.701077 0.100533 0.828929 S\n0.065931 0.098396 0.349299 S\n0.913026 0.724192 0.417070 S\n0.009674 0.285226 0.063015 S\n0.041308 0.640214 0.667156 S\n0.714774 0.990326 0.436985 S\n0.640214 0.041308 0.167156 S\n0.681750 0.065533 0.713536 S\n0.934069 0.901604 0.650701 S\n0.065533 0.681750 0.213536 S\n0.318250 0.934467 0.286464 S\n0.285226 0.009674 0.563015 S\n0.498898 0.899008 0.627573 S\n0.899008 0.498898 0.127573 S\n0.724192 0.913026 0.917070 S\n0.476372 0.784413 0.741623 S\n0.100992 0.501102 0.872427 S\n0.501102 0.100992 0.372427 S\n0.934467 0.318250 0.786464 S\n0.359786 0.958692 0.832844 S\n0.275808 0.086974 0.082930 S\n0.257999 0.705928 0.478298 F\n0.568051 0.640609 0.464980 F\n0.742002 0.294072 0.521702 F\n0.562943 0.450567 0.112847 F\n0.359391 0.431949 0.035020 F\n0.450567 0.562943 0.612847 F\n0.437057 0.549433 0.887153 F\n0.640609 0.568051 0.964980 F\n0.705928 0.257998 0.978298 F\n0.549433 0.437057 0.387153 F\n0.294072 0.742001 0.021702 F\n0.431949 0.359391 0.535020 F\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"S",
"F"
],
"chemical_system": "Ag-F-S-Sb",
"density": 2.326262989380092,
"density_atomic": 0.03924760559042501,
"volume": 1223.0045445552034,
"volume_molar": 15.343969827981514,
"formula_full": "Ag2 Sb2 S32 F12",
"formula_reduced": "AgSb(S8F3)2",
"formula_anonymous": "ABC6D16",
"energy": -224.03970739,
"energy_per_atom": -4.667493903958333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.39970739,
"band_gap": 2.6392,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001178,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.488000Z",
"spacegroup": 15
},
{
"id": "mp-545999",
"created_at": "2022-09-04T14:48:03.497793Z",
"structure_string": "Ag2 Sb2 O6\n1.0\n5.901396 -2.708658 0.000000\n5.901396 2.708658 0.000000\n4.658160 0.000000 4.523810\nAg Sb O\n2 2 6\ndirect\n0.361561 0.361561 0.361561 Ag\n0.638439 0.638439 0.638439 Ag\n0.162896 0.162896 0.162896 Sb\n0.837104 0.837104 0.837104 Sb\n0.440560 0.814871 0.044592 O\n0.955408 0.559440 0.185129 O\n0.185129 0.955408 0.559440 O\n0.814871 0.044592 0.440560 O\n0.044592 0.440560 0.814871 O\n0.559440 0.185129 0.955408 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"O"
],
"chemical_system": "Ag-O-Sb",
"density": 6.375240475776518,
"density_atomic": 0.0691443528735798,
"volume": 144.62497057834236,
"volume_molar": 8.709519302336362,
"formula_full": "Ag2 Sb2 O6",
"formula_reduced": "AgSbO3",
"formula_anonymous": "ABC3",
"energy": -57.90875897,
"energy_per_atom": -5.790875897,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.78675897,
"band_gap": 0.1332999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003566,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.424000Z",
"spacegroup": 148
},
{
"id": "mp-1214924",
"created_at": "2022-09-04T14:48:30.251015Z",
"structure_string": "Ag2 Sb2 O24\n1.0\n0.000000 5.259616 5.259616\n5.259616 0.000000 5.259616\n5.259616 5.259616 0.000000\nAg Sb O\n2 2 24\ndirect\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Ag\n0.500000 0.500000 0.500000 Sb\n0.750000 0.750000 0.750000 Sb\n0.894817 0.282496 0.282496 O\n0.282496 0.894817 0.540191 O\n0.282496 0.540191 0.894817 O\n0.282496 0.894817 0.282496 O\n0.355183 0.967504 0.709809 O\n0.355183 0.967504 0.967504 O\n0.540191 0.282496 0.282496 O\n0.540191 0.282496 0.894817 O\n0.967504 0.355183 0.967504 O\n0.967504 0.355183 0.709809 O\n0.894817 0.282496 0.540191 O\n0.967504 0.709809 0.967504 O\n0.967504 0.709809 0.355183 O\n0.282496 0.540191 0.282496 O\n0.709809 0.967504 0.355183 O\n0.709809 0.967504 0.967504 O\n0.282496 0.282496 0.894817 O\n0.540191 0.894817 0.282496 O\n0.282496 0.282496 0.540191 O\n0.894817 0.540191 0.282496 O\n0.709809 0.355183 0.967504 O\n0.967504 0.967504 0.355183 O\n0.355183 0.709809 0.967504 O\n0.967504 0.967504 0.709809 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"O"
],
"chemical_system": "Ag-O-Sb",
"density": 4.811818282300362,
"density_atomic": 0.09622012619057273,
"volume": 290.99941050319813,
"volume_molar": 6.258712182597434,
"formula_full": "Ag2 Sb2 O24",
"formula_reduced": "AgSbO12",
"formula_anonymous": "ABC12",
"energy": -117.01378446,
"energy_per_atom": -4.179063730714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.52578446,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0151152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:48.521000Z",
"spacegroup": 227
},
{
"id": "mp-1215022",
"created_at": "2022-09-04T14:40:53.878484Z",
"structure_string": "Ag2 Sb2 O24\n1.0\n7.666245 0.000000 0.000000\n0.000000 7.666245 0.000000\n0.000000 0.000000 7.435820\nAg Sb O\n2 2 24\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.627256 0.147203 0.990739 O\n0.372744 0.852797 0.990739 O\n0.647203 0.872744 0.490739 O\n0.872744 0.352797 0.509261 O\n0.352797 0.127256 0.490739 O\n0.127256 0.647203 0.509261 O\n0.852797 0.627256 0.009261 O\n0.147203 0.372744 0.009261 O\n0.283237 0.976350 0.050858 O\n0.716763 0.023650 0.050858 O\n0.476350 0.216763 0.550858 O\n0.216763 0.523650 0.449142 O\n0.523650 0.783237 0.550858 O\n0.783237 0.476350 0.449142 O\n0.023650 0.283237 0.949142 O\n0.976350 0.716763 0.949142 O\n0.177537 0.080526 0.662469 O\n0.822463 0.919474 0.662469 O\n0.580526 0.322463 0.162469 O\n0.322463 0.419474 0.837531 O\n0.419474 0.677537 0.162469 O\n0.677537 0.580526 0.837531 O\n0.919474 0.177537 0.337531 O\n0.080526 0.822463 0.337531 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"O"
],
"chemical_system": "Ag-O-Sb",
"density": 3.2041074372222993,
"density_atomic": 0.0640713351690195,
"volume": 437.0129001703539,
"volume_molar": 9.399118567006068,
"formula_full": "Ag2 Sb2 O24",
"formula_reduced": "AgSbO12",
"formula_anonymous": "ABC12",
"energy": -134.6333258,
"energy_per_atom": -4.808333064285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.7693258,
"band_gap": 0.1423,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.42e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.273000Z",
"spacegroup": 86
},
{
"id": "mp-690698",
"created_at": "2022-09-04T14:40:40.460234Z",
"structure_string": "Ag2 Sb2 H4 C4 N4 F12\n1.0\n5.320154 0.000000 0.000000\n0.000000 7.010653 0.000000\n0.000000 0.000000 12.526935\nAg Sb H C N F\n2 2 4 4 4 12\ndirect\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.522269 0.000000 0.220720 H\n0.477731 0.000000 0.779280 H\n0.022269 0.500000 0.279280 H\n0.977731 0.500000 0.720720 H\n0.645741 0.000000 0.289418 C\n0.354259 0.000000 0.710582 C\n0.145741 0.500000 0.210582 C\n0.854259 0.500000 0.789418 C\n0.785976 0.000000 0.359858 N\n0.214024 0.000000 0.640142 N\n0.285976 0.500000 0.140142 N\n0.714024 0.500000 0.859858 N\n0.724020 0.500000 0.378896 F\n0.275980 0.500000 0.621104 F\n0.224020 0.000000 0.121104 F\n0.775980 0.000000 0.878896 F\n0.700525 0.692444 0.569238 F\n0.299475 0.692444 0.430762 F\n0.200525 0.807556 0.930762 F\n0.799475 0.807556 0.069238 F\n0.299475 0.307556 0.430762 F\n0.700525 0.307556 0.569238 F\n0.799475 0.192444 0.069238 F\n0.200525 0.192444 0.930762 F\n",
"nsites": 28,
"nelements": 6,
"elements": [
"Ag",
"Sb",
"H",
"C",
"N",
"F"
],
"chemical_system": "Ag-C-F-H-N-Sb",
"density": 2.8266605487579253,
"density_atomic": 0.05992810318443205,
"volume": 467.2265350002561,
"volume_molar": 10.048942716352174,
"formula_full": "Ag2 Sb2 H4 C4 N4 F12",
"formula_reduced": "AgSbH2C2(NF3)2",
"formula_anonymous": "ABC2D2E2F6",
"energy": -158.12080423,
"energy_per_atom": -5.647171579642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.13280423,
"band_gap": 2.8326,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.96e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.556000Z",
"spacegroup": 58
},
{
"id": "mp-1194141",
"created_at": "2022-09-04T14:41:28.702219Z",
"structure_string": "Ag2 Sb2 C4 N4 Cl4 F12\n1.0\n7.805005 0.000000 0.000000\n0.000000 9.348960 0.000000\n-4.646806 0.000000 8.177861\nAg Sb C N Cl F\n2 2 4 4 4 12\ndirect\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.390247 0.666494 0.552447 C\n0.390247 0.833506 0.052447 C\n0.609753 0.333506 0.447553 C\n0.609753 0.166494 0.947553 C\n0.266079 0.596032 0.550666 N\n0.266079 0.903968 0.050666 N\n0.733921 0.403968 0.449334 N\n0.733921 0.096032 0.949334 N\n0.560972 0.762207 0.553462 Cl\n0.560972 0.737793 0.053462 Cl\n0.439028 0.237793 0.446538 Cl\n0.439028 0.262207 0.946538 Cl\n0.083245 0.954098 0.343950 F\n0.083245 0.545902 0.843950 F\n0.916755 0.045902 0.656050 F\n0.916755 0.454098 0.156050 F\n0.254555 0.948463 0.677510 F\n0.254555 0.551537 0.177510 F\n0.745445 0.051537 0.322490 F\n0.745445 0.448463 0.822490 F\n0.909358 0.806475 0.489472 F\n0.909358 0.693525 0.989472 F\n0.090642 0.193525 0.510528 F\n0.090642 0.306475 0.010528 F\n",
"nsites": 28,
"nelements": 6,
"elements": [
"Ag",
"Sb",
"C",
"N",
"Cl",
"F"
],
"chemical_system": "Ag-C-Cl-F-N-Sb",
"density": 2.5966286406047057,
"density_atomic": 0.04692257309977818,
"volume": 596.7277186709176,
"volume_molar": 12.834208275821235,
"formula_full": "Ag2 Sb2 C4 N4 Cl4 F12",
"formula_reduced": "AgSbC2N2(ClF3)2",
"formula_anonymous": "ABC2D2E2F6",
"energy": -153.91921835,
"energy_per_atom": -5.497114941071429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.47521835,
"band_gap": 3.1523000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0339608,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.364000Z",
"spacegroup": 14
}
]
}