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=chemical_system&page=97",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=95",
"results": [
{
"id": "mp-1096035",
"created_at": "2022-09-04T14:40:21.433273Z",
"structure_string": "Ca2 Tl1 Ag1\n1.0\n-6.243514 6.634311 9.606341\n6.243514 -6.634311 9.606341\n6.243514 6.634311 -9.606341\nCa Tl Ag\n2 1 1\ndirect\n0.000000 0.239583 0.239583 Ca\n0.000000 0.760417 0.760417 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Ag"
],
"chemical_system": "Ag-Ca-Tl",
"density": 0.4093959013381502,
"density_atomic": 0.0025131423280925222,
"volume": 1591.6328953147688,
"volume_molar": 239.62593334579708,
"formula_full": "Ca2 Tl1 Ag1",
"formula_reduced": "Ca2TlAg",
"formula_anonymous": "ABC2",
"energy": -4.68125084,
"energy_per_atom": -1.17031271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.68125084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5893599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.934000Z",
"spacegroup": 71
},
{
"id": "mp-1096336",
"created_at": "2022-09-04T14:44:01.049419Z",
"structure_string": "Ca1 Y1 Ag2\n1.0\n-5.986376 6.308494 8.912941\n5.986376 -6.308494 8.912941\n5.986376 6.308494 -8.912941\nCa Y Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.250402 0.250402 Ag\n0.000000 0.749598 0.749598 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Y",
"Ag"
],
"chemical_system": "Ag-Ca-Y",
"density": 0.42515293846562935,
"density_atomic": 0.002970908544946152,
"volume": 1346.3894763116987,
"volume_molar": 202.70367360329337,
"formula_full": "Ca1 Y1 Ag2",
"formula_reduced": "CaYAg2",
"formula_anonymous": "ABC2",
"energy": -7.77821383,
"energy_per_atom": -1.9445534575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.77821383,
"band_gap": 0.0760999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9997616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.631000Z",
"spacegroup": 71
},
{
"id": "mp-1227020",
"created_at": "2022-09-04T14:40:08.467638Z",
"structure_string": "Ca2 Zn2 Ag2\n1.0\n2.329819 5.354634 0.000000\n-2.329819 5.354634 0.000000\n0.000000 4.946517 5.442014\nCa Zn Ag\n2 2 2\ndirect\n0.451681 0.451681 0.300144 Ca\n0.548319 0.548319 0.699856 Ca\n0.159429 0.159429 0.895321 Zn\n0.840571 0.840571 0.104679 Zn\n0.829570 0.829570 0.731228 Ag\n0.170430 0.170430 0.268772 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 5.218440078394002,
"density_atomic": 0.04418853729917198,
"volume": 135.78181960126636,
"volume_molar": 13.628287171462553,
"formula_full": "Ca2 Zn2 Ag2",
"formula_reduced": "CaZnAg",
"formula_anonymous": "ABC",
"energy": -14.101278230000002,
"energy_per_atom": -2.3502130383333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.101278230000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.355000Z",
"spacegroup": 12
},
{
"id": "mp-1227685",
"created_at": "2022-09-04T14:40:37.785067Z",
"structure_string": "Ca2 Zn3 Ag1\n1.0\n2.333582 5.279603 0.000000\n-2.333582 5.279603 0.000000\n0.000000 5.039504 5.327967\nCa Zn Ag\n2 3 1\ndirect\n0.549566 0.549566 0.699117 Ca\n0.450551 0.450551 0.299291 Ca\n0.829633 0.829633 0.734652 Zn\n0.842110 0.842110 0.096700 Zn\n0.166134 0.166134 0.891010 Zn\n0.162007 0.162007 0.279232 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 4.860136588895709,
"density_atomic": 0.045702019920204416,
"volume": 131.2852256962817,
"volume_molar": 13.176968480856292,
"formula_full": "Ca2 Zn3 Ag1",
"formula_reduced": "Ca2Zn3Ag",
"formula_anonymous": "AB2C3",
"energy": -12.46887103,
"energy_per_atom": -2.078145171666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.46887103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0106317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.560000Z",
"spacegroup": 8
},
{
"id": "mp-1096168",
"created_at": "2022-09-04T14:41:12.378227Z",
"structure_string": "Ca2 Zn1 Ag1\n1.0\n-6.215381 6.282232 8.781065\n6.215381 -6.282232 8.781065\n6.215381 6.282232 -8.781065\nCa Zn Ag\n2 1 1\ndirect\n0.739756 0.000000 0.739756 Ca\n0.260244 0.000000 0.260244 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 0.3068482812232494,
"density_atomic": 0.002916561116900331,
"volume": 1371.4782031556153,
"volume_molar": 206.4808697168748,
"formula_full": "Ca2 Zn1 Ag1",
"formula_reduced": "Ca2ZnAg",
"formula_anonymous": "ABC2",
"energy": -3.56283827,
"energy_per_atom": -0.8907095675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.56283827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.346000Z",
"spacegroup": 71
},
{
"id": "mp-1227017",
"created_at": "2022-09-04T14:42:43.627855Z",
"structure_string": "Ca4 Zn1 Ag3\n1.0\n4.071631 0.000000 0.000000\n0.000000 4.668097 0.000000\n0.000000 0.000000 11.424333\nCa Zn Ag\n4 1 3\ndirect\n0.500000 0.500000 0.143799 Ca\n0.000000 0.500000 0.642065 Ca\n0.000000 0.000000 0.357999 Ca\n0.500000 0.000000 0.856792 Ca\n0.500000 0.500000 0.429536 Zn\n0.000000 0.500000 0.925490 Ag\n0.000000 0.000000 0.074519 Ag\n0.500000 0.000000 0.569800 Ag\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 4.200875382601514,
"density_atomic": 0.03684264906348834,
"volume": 217.1396520976047,
"volume_molar": 16.34556936886506,
"formula_full": "Ca4 Zn1 Ag3",
"formula_reduced": "Ca4ZnAg3",
"formula_anonymous": "AB3C4",
"energy": -20.27376206,
"energy_per_atom": -2.5342202575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.27376206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0668925,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.369000Z",
"spacegroup": 25
},
{
"id": "mp-1201374",
"created_at": "2022-09-04T14:47:36.915738Z",
"structure_string": "Cs4 Ca2 Ag4 H8 C12 S12 N12 O4\n1.0\n8.338912 0.000000 0.000000\n0.000000 19.350501 0.000000\n-0.048109 0.000000 8.155751\nCs Ca Ag H C S N O\n4 2 4 8 12 12 12 4\ndirect\n0.752055 0.882738 0.977309 Cs\n0.247945 0.382738 0.522691 Cs\n0.247945 0.117262 0.022691 Cs\n0.752055 0.617262 0.477309 Cs\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.271323 0.782704 0.014888 Ag\n0.728677 0.282704 0.485112 Ag\n0.728677 0.217296 0.985112 Ag\n0.271323 0.717296 0.514888 Ag\n0.663297 0.954901 0.526767 H\n0.336703 0.454901 0.973233 H\n0.336703 0.045099 0.473233 H\n0.663297 0.545099 0.026767 H\n0.662564 0.023299 0.629027 H\n0.337436 0.523299 0.870973 H\n0.337436 0.976701 0.370973 H\n0.662564 0.476701 0.129027 H\n0.185251 0.939419 0.870258 C\n0.814749 0.439419 0.629742 C\n0.814749 0.060581 0.129742 C\n0.185251 0.560581 0.370258 C\n0.016621 0.673243 0.862497 C\n0.983379 0.173243 0.637503 C\n0.983379 0.326757 0.137503 C\n0.016621 0.826757 0.362497 C\n0.524131 0.653114 0.960897 C\n0.475869 0.153114 0.539103 C\n0.475869 0.346886 0.039103 C\n0.524131 0.846886 0.460897 C\n0.297969 0.914589 0.025199 S\n0.702031 0.414589 0.474801 S\n0.702031 0.085411 0.974801 S\n0.297969 0.585411 0.525199 S\n0.063453 0.750752 0.796719 S\n0.936547 0.250752 0.703281 S\n0.936547 0.249248 0.203281 S\n0.063453 0.749248 0.296719 S\n0.523656 0.718812 0.089662 S\n0.476344 0.218812 0.410338 S\n0.476344 0.281188 0.910338 S\n0.523656 0.781188 0.589662 S\n0.102515 0.960090 0.762099 N\n0.897485 0.460090 0.737901 N\n0.897485 0.039910 0.237901 N\n0.102515 0.539910 0.262099 N\n0.980192 0.616966 0.904788 N\n0.019808 0.116966 0.595212 N\n0.019808 0.383034 0.095212 N\n0.980192 0.883034 0.404788 N\n0.529757 0.603806 0.874365 N\n0.470243 0.103806 0.625635 N\n0.470243 0.396194 0.125635 N\n0.529757 0.896194 0.374365 N\n0.729572 0.983602 0.600333 O\n0.270428 0.483602 0.899667 O\n0.270428 0.016398 0.399667 O\n0.729572 0.516398 0.100333 O\n",
"nsites": 58,
"nelements": 8,
"elements": [
"Cs",
"Ca",
"Ag",
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "Ag-C-Ca-Cs-H-N-O-S",
"density": 2.2867240101699666,
"density_atomic": 0.04407196667914833,
"volume": 1316.0293122893788,
"volume_molar": 13.664334073952823,
"formula_full": "Cs4 Ca2 Ag4 H8 C12 S12 N12 O4",
"formula_reduced": "Cs2CaAg2H4C6S6(N3O)2",
"formula_anonymous": "AB2C2D2E4F6G6H6",
"energy": -363.03075768,
"energy_per_atom": -6.259150994482759,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.91475768,
"band_gap": 3.2679,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2209889,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.969000Z",
"spacegroup": 14
},
{
"id": "mp-568978",
"created_at": "2022-09-04T14:43:22.069207Z",
"structure_string": "Rb1 Cd1 Ag3 C6 N6\n1.0\n3.642888 -6.309667 0.000000\n3.642888 6.309667 0.000000\n0.000000 0.000000 8.278321\nRb Cd Ag C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n0.509657 0.019313 0.500000 Ag\n0.509657 0.490343 0.500000 Ag\n0.980687 0.490343 0.500000 Ag\n0.659194 0.009707 0.707564 C\n0.659194 0.649488 0.292436 C\n0.350512 0.009707 0.292436 C\n0.990293 0.649488 0.707564 C\n0.350512 0.340806 0.707564 C\n0.990293 0.340806 0.292436 C\n0.741505 0.741961 0.173813 N\n0.741505 0.999544 0.826187 N\n0.258039 0.258495 0.826187 N\n0.258039 0.999544 0.173813 N\n0.000456 0.258495 0.173813 N\n0.000456 0.741961 0.826187 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Rb",
"Cd",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-Cd-N-Rb",
"density": 2.956583565703761,
"density_atomic": 0.04467086935861361,
"volume": 380.5612078763359,
"volume_molar": 13.481136244864208,
"formula_full": "Rb1 Cd1 Ag3 C6 N6",
"formula_reduced": "RbCdAg3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy": -113.77957601,
"energy_per_atom": -6.692916235882353,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.61357601,
"band_gap": 2.8025,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015867,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.884000Z",
"spacegroup": 149
},
{
"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
},
{
"id": "mp-556201",
"created_at": "2022-09-04T14:40:20.392089Z",
"structure_string": "Ag2 Sb2 C4 N4 Cl4 F12\n1.0\n8.885760 0.000000 0.000000\n0.000000 7.811020 0.000000\n0.000000 5.410861 9.242905\nAg Sb C N Cl F\n2 2 4 4 4 12\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.169574 0.609151 0.539950 C\n0.830426 0.390849 0.460050 C\n0.169574 0.390849 0.960050 C\n0.830426 0.609151 0.039950 C\n0.092863 0.268462 0.961480 N\n0.907137 0.268462 0.461480 N\n0.092863 0.731538 0.538520 N\n0.907137 0.731538 0.038520 N\n0.269315 0.562950 0.956798 Cl\n0.269315 0.437050 0.543202 Cl\n0.730685 0.437050 0.043202 Cl\n0.730685 0.562950 0.456798 Cl\n0.438766 0.858449 0.405725 F\n0.561234 0.858449 0.905725 F\n0.297298 0.899077 0.013761 F\n0.561234 0.141551 0.594275 F\n0.549892 0.769343 0.180577 F\n0.549892 0.230657 0.319423 F\n0.438766 0.141551 0.094275 F\n0.297298 0.100923 0.486239 F\n0.702702 0.100923 0.986239 F\n0.450108 0.230657 0.819423 F\n0.450108 0.769343 0.680577 F\n0.702702 0.899077 0.513761 F\n",
"nsites": 28,
"nelements": 6,
"elements": [
"Ag",
"Sb",
"C",
"N",
"Cl",
"F"
],
"chemical_system": "Ag-C-Cl-F-N-Sb",
"density": 2.415323109677272,
"density_atomic": 0.04364627787014711,
"volume": 641.5209123514115,
"volume_molar": 13.797604409513653,
"formula_full": "Ag2 Sb2 C4 N4 Cl4 F12",
"formula_reduced": "AgSbC2N2(ClF3)2",
"formula_anonymous": "ABC2D2E2F6",
"energy": -153.17382623999998,
"energy_per_atom": -5.470493794285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.72982624,
"band_gap": 4.2664,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.492000Z",
"spacegroup": 13
},
{
"id": "mp-567645",
"created_at": "2022-09-04T14:39:27.805407Z",
"structure_string": "Ag8 H48 C24 N12 Cl4\n1.0\n9.043541 0.000000 0.000000\n0.000000 9.051577 0.000000\n0.000000 0.000000 13.672225\nAg H C N Cl\n8 48 24 12 4\ndirect\n0.053378 0.861206 0.639520 Ag\n0.428120 0.411288 0.244888 Ag\n0.071880 0.911288 0.244888 Ag\n0.928120 0.088712 0.744888 Ag\n0.946622 0.138794 0.139520 Ag\n0.446622 0.361206 0.639520 Ag\n0.553378 0.638794 0.139520 Ag\n0.571880 0.588712 0.744888 Ag\n0.987812 0.239636 0.390598 H\n0.929096 0.468756 0.607465 H\n0.012188 0.760364 0.890598 H\n0.636841 0.897141 0.958650 H\n0.596761 0.138097 0.540195 H\n0.764116 0.495035 0.536212 H\n0.487812 0.260364 0.890598 H\n0.164885 0.434016 0.526048 H\n0.687442 0.769794 0.449842 H\n0.096761 0.361903 0.040195 H\n0.049103 0.532767 0.799514 H\n0.583152 0.137367 0.363697 H\n0.863159 0.397141 0.958650 H\n0.776782 0.495002 0.359800 H\n0.977424 0.241299 0.521377 H\n0.450897 0.032767 0.799514 H\n0.735884 0.995035 0.536212 H\n0.235884 0.504965 0.036212 H\n0.429096 0.031244 0.107465 H\n0.674192 0.067370 0.895214 H\n0.903239 0.638097 0.540195 H\n0.950897 0.467233 0.299514 H\n0.325808 0.932630 0.395214 H\n0.083152 0.362633 0.863697 H\n0.403239 0.861903 0.040195 H\n0.223218 0.504998 0.859800 H\n0.264116 0.004965 0.036212 H\n0.335115 0.934016 0.526048 H\n0.022576 0.758701 0.021377 H\n0.416848 0.862633 0.863697 H\n0.664885 0.065984 0.026048 H\n0.363159 0.102859 0.458650 H\n0.825808 0.567370 0.895214 H\n0.070904 0.531244 0.107465 H\n0.312558 0.230206 0.949842 H\n0.916848 0.637367 0.363697 H\n0.276782 0.004998 0.859800 H\n0.136841 0.602859 0.458650 H\n0.835115 0.565984 0.026048 H\n0.174192 0.432630 0.395214 H\n0.723218 0.995002 0.359800 H\n0.512188 0.739636 0.390598 H\n0.522576 0.741299 0.521377 H\n0.570904 0.968756 0.607465 H\n0.549103 0.967233 0.299514 H\n0.812558 0.269794 0.449842 H\n0.187442 0.730206 0.949842 H\n0.477424 0.258701 0.021377 H\n0.067926 0.711821 0.953936 C\n0.382801 0.981304 0.041259 C\n0.395646 0.981790 0.862266 C\n0.120861 0.482861 0.458881 C\n0.342231 0.639716 0.232785 C\n0.604354 0.018210 0.362266 C\n0.432074 0.211821 0.953936 C\n0.617199 0.018696 0.541259 C\n0.870435 0.812299 0.195143 C\n0.932074 0.288179 0.453936 C\n0.882801 0.518696 0.541259 C\n0.842231 0.860284 0.732785 C\n0.879139 0.517139 0.958881 C\n0.629565 0.312299 0.195143 C\n0.104354 0.481790 0.862266 C\n0.370435 0.687701 0.695143 C\n0.620861 0.017139 0.958881 C\n0.129565 0.187701 0.695143 C\n0.567926 0.788179 0.453936 C\n0.117199 0.481304 0.041259 C\n0.379139 0.982861 0.458881 C\n0.657769 0.360284 0.732785 C\n0.157769 0.139716 0.232785 C\n0.895646 0.518210 0.362266 C\n0.238166 0.240346 0.246265 N\n0.258039 0.741831 0.671185 N\n0.761834 0.759654 0.746265 N\n0.457992 0.048129 0.954050 N\n0.738166 0.259654 0.746265 N\n0.758039 0.758169 0.171185 N\n0.042008 0.548129 0.954050 N\n0.542008 0.951871 0.454050 N\n0.261834 0.740346 0.246265 N\n0.741961 0.258169 0.171185 N\n0.957992 0.451871 0.454050 N\n0.241961 0.241831 0.671185 N\n0.503849 0.398531 0.456438 Cl\n0.003849 0.101469 0.956438 Cl\n0.996151 0.898531 0.456438 Cl\n0.496151 0.601469 0.956438 Cl\n",
"nsites": 96,
"nelements": 5,
"elements": [
"Ag",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "Ag-C-Cl-H-N",
"density": 2.239614795293155,
"density_atomic": 0.08577668816400251,
"volume": 1119.18520118719,
"volume_molar": 7.0207196021439335,
"formula_full": "Ag8 H48 C24 N12 Cl4",
"formula_reduced": "Ag2H12C6N3Cl",
"formula_anonymous": "AB2C3D6E12",
"energy": -525.9351143,
"energy_per_atom": -5.478490773958334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -519.1471143,
"band_gap": 3.4426,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009958,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.808000Z",
"spacegroup": 33
},
{
"id": "mp-1215002",
"created_at": "2022-09-04T14:41:31.744183Z",
"structure_string": "Ag4 H16 C4 S4 N10 Cl2 O6\n1.0\n6.534733 0.000000 0.000000\n1.720797 7.699589 0.000000\n1.522594 1.281215 11.926373\nAg H C S N Cl O\n4 16 4 4 10 2 6\ndirect\n0.575046 0.667328 0.064846 Ag\n0.424954 0.332672 0.935154 Ag\n0.011761 0.627591 0.845067 Ag\n0.988239 0.372409 0.154933 Ag\n0.267277 0.583870 0.260617 H\n0.732723 0.416130 0.739383 H\n0.512228 0.025899 0.645244 H\n0.487772 0.974101 0.354756 H\n0.230533 0.007312 0.314498 H\n0.769467 0.992688 0.685502 H\n0.754356 0.299430 0.428942 H\n0.245644 0.700570 0.571058 H\n0.762474 0.023929 0.226078 H\n0.237526 0.976071 0.773922 H\n0.714401 0.116653 0.088883 H\n0.285599 0.883347 0.911117 H\n0.498332 0.254478 0.459826 H\n0.501668 0.745522 0.540174 H\n0.221107 0.424915 0.372026 H\n0.778893 0.575085 0.627974 H\n0.453110 0.074884 0.192250 C\n0.546890 0.925116 0.807750 C\n0.528994 0.450197 0.333960 C\n0.471006 0.549803 0.666040 C\n0.298642 0.428732 0.745765 S\n0.701358 0.571268 0.254235 S\n0.277526 0.138639 0.089732 S\n0.722474 0.861361 0.910268 S\n0.120411 0.167967 0.559183 N\n0.879589 0.832033 0.440817 N\n0.658232 0.072915 0.167462 N\n0.341768 0.927085 0.832538 N\n0.382963 0.019899 0.295652 N\n0.617037 0.980101 0.704348 N\n0.600792 0.323853 0.412160 N\n0.399208 0.676147 0.587840 N\n0.324322 0.488997 0.321032 N\n0.675678 0.511003 0.678968 N\n0.183316 0.659995 0.057492 Cl\n0.816684 0.340005 0.942508 Cl\n0.319709 0.114892 0.541577 O\n0.680291 0.885108 0.458423 O\n0.026183 0.281219 0.488223 O\n0.973817 0.718781 0.511777 O\n0.021791 0.106711 0.646613 O\n0.978209 0.893289 0.353387 O\n",
"nsites": 46,
"nelements": 7,
"elements": [
"Ag",
"H",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "Ag-C-Cl-H-N-O-S",
"density": 2.575937398817746,
"density_atomic": 0.07665739429229394,
"volume": 600.0725751856686,
"volume_molar": 7.855916334747347,
"formula_full": "Ag4 H16 C4 S4 N10 Cl2 O6",
"formula_reduced": "Ag2H8C2S2N5ClO3",
"formula_anonymous": "AB2C2D2E3F5G8",
"energy": -261.41536536,
"energy_per_atom": -5.682942725217392,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -250.44336536,
"band_gap": 2.4575,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.693000Z",
"spacegroup": 2
}
]
}