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=12100",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=12098",
"results": [
{
"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-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-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-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-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-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-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-1096652",
"created_at": "2022-09-04T14:41:31.743730Z",
"structure_string": "Ca1 Tl1 Ag2\n1.0\n-5.848400 6.306502 8.917205\n5.848400 -6.306502 8.917205\n5.848400 6.306502 -8.917205\nCa Tl Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.249996 0.249996 Ag\n0.000000 0.750004 0.750004 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Ag"
],
"chemical_system": "Ag-Ca-Tl",
"density": 0.5808703285431025,
"density_atomic": 0.0030405044466783483,
"volume": 1315.5711725302258,
"volume_molar": 198.06386951938163,
"formula_full": "Ca1 Tl1 Ag2",
"formula_reduced": "CaTlAg2",
"formula_anonymous": "ABC2",
"energy": -6.06431635,
"energy_per_atom": -1.5160790875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.06431635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.615000Z",
"spacegroup": 71
},
{
"id": "mp-1218586",
"created_at": "2022-09-04T14:46:05.233302Z",
"structure_string": "Sr9 Ca3 Ag12\n1.0\n4.916931 0.000000 0.000000\n0.000000 6.296122 0.000000\n0.000000 0.002252 24.122012\nSr Ca Ag\n9 3 12\ndirect\n0.000000 0.634209 0.942371 Sr\n0.500000 0.895935 0.724915 Sr\n0.500000 0.604655 0.226044 Sr\n0.000000 0.104611 0.274271 Sr\n0.000000 0.394913 0.772825 Sr\n0.500000 0.128418 0.894626 Sr\n0.500000 0.366996 0.395655 Sr\n0.000000 0.867984 0.105856 Sr\n0.000000 0.632896 0.604210 Sr\n0.500000 0.140512 0.558257 Ca\n0.500000 0.358294 0.060410 Ca\n0.000000 0.859275 0.441602 Ca\n0.500000 0.382441 0.675957 Ag\n0.500000 0.117476 0.176436 Ag\n0.000000 0.617215 0.324065 Ag\n0.000000 0.886858 0.821539 Ag\n0.500000 0.638596 0.844921 Ag\n0.500000 0.860081 0.348670 Ag\n0.000000 0.360711 0.151537 Ag\n0.000000 0.139516 0.651112 Ag\n0.500000 0.633920 0.510657 Ag\n0.500000 0.875208 0.013792 Ag\n0.000000 0.365747 0.489279 Ag\n0.000000 0.133534 0.990994 Ag\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca-Sr",
"density": 4.899239034574939,
"density_atomic": 0.03213885971534483,
"volume": 746.7595369770104,
"volume_molar": 18.737879356449923,
"formula_full": "Sr9 Ca3 Ag12",
"formula_reduced": "Sr3CaAg4",
"formula_anonymous": "AB3C4",
"energy": -62.69758958,
"energy_per_atom": -2.6123995658333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.69758958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0284226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.355000Z",
"spacegroup": 6
},
{
"id": "mp-1218380",
"created_at": "2022-09-04T14:41:20.825358Z",
"structure_string": "Sr1 Ca3 Ag4\n1.0\n-4.131155 0.000000 0.000000\n0.000000 0.000000 -4.822903\n0.000000 -11.498535 0.000000\nSr Ca Ag\n1 3 4\ndirect\n0.500000 0.750000 0.355539 Sr\n0.000000 0.750000 0.860862 Ca\n0.000000 0.250000 0.132146 Ca\n0.500000 0.250000 0.645079 Ca\n0.500000 0.750000 0.067031 Ag\n0.000000 0.750000 0.582358 Ag\n0.000000 0.250000 0.432101 Ag\n0.500000 0.250000 0.924884 Ag\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca-Sr",
"density": 4.633930103771679,
"density_atomic": 0.03491945511004167,
"volume": 229.09864929992756,
"volume_molar": 17.24580392512549,
"formula_full": "Sr1 Ca3 Ag4",
"formula_reduced": "SrCa3Ag4",
"formula_anonymous": "AB3C4",
"energy": -21.57874078,
"energy_per_atom": -2.6973425975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.57874078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.125000Z",
"spacegroup": 25
},
{
"id": "mp-1095901",
"created_at": "2022-09-04T14:48:04.025214Z",
"structure_string": "Sr1 Ca1 Ag2\n1.0\n-6.171157 6.543149 9.253444\n6.171157 -6.543149 9.253444\n6.171157 6.543149 -9.253444\nSr Ca Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.000000 0.242091 0.242091 Ag\n0.000000 0.757909 0.757909 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca-Sr",
"density": 0.38157164428836043,
"density_atomic": 0.0026763517605962062,
"volume": 1494.5718492209435,
"volume_molar": 225.01305129855047,
"formula_full": "Sr1 Ca1 Ag2",
"formula_reduced": "SrCaAg2",
"formula_anonymous": "ABC2",
"energy": -5.12442851,
"energy_per_atom": -1.2811071275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.12442851,
"band_gap": 0.0045999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.75e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.005000Z",
"spacegroup": 71
},
{
"id": "mp-867751",
"created_at": "2022-09-04T14:46:14.350789Z",
"structure_string": "Ca2 Ag1 Sn1\n1.0\n0.000000 3.783200 3.783200\n3.783200 0.000000 3.783200\n3.783200 3.783200 0.000000\nCa Ag Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Sn"
],
"chemical_system": "Ag-Ca-Sn",
"density": 4.703307786263262,
"density_atomic": 0.03693618975160843,
"volume": 108.29487358873598,
"volume_molar": 16.304174308444363,
"formula_full": "Ca2 Ag1 Sn1",
"formula_reduced": "Ca2AgSn",
"formula_anonymous": "ABC2",
"energy": -12.99543646,
"energy_per_atom": -3.248859115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.99543646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.633000Z",
"spacegroup": 225
}
]
}