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=12107",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12105",
"results": [
{
"id": "mp-1203455",
"created_at": "2022-09-04T14:47:01.432463Z",
"structure_string": "Sm8 Th4 S20\n1.0\n7.527083 0.000000 0.000000\n0.000000 8.165791 0.000000\n0.000000 0.000000 12.002592\nSm Th S\n8 4 20\ndirect\n0.518395 0.499321 0.321262 Sm\n0.981605 0.000679 0.821262 Sm\n0.481605 0.999321 0.678738 Sm\n0.018395 0.500679 0.178738 Sm\n0.481605 0.500679 0.678738 Sm\n0.018395 0.999321 0.178738 Sm\n0.518395 0.000679 0.321262 Sm\n0.981605 0.499321 0.821262 Sm\n0.076106 0.750000 0.490536 Th\n0.423894 0.750000 0.990536 Th\n0.923894 0.250000 0.509464 Th\n0.576106 0.250000 0.009464 Th\n0.836215 0.956369 0.602181 S\n0.663785 0.543631 0.102181 S\n0.163785 0.456369 0.397819 S\n0.336215 0.043631 0.897819 S\n0.163785 0.043631 0.397819 S\n0.336215 0.456369 0.897819 S\n0.836215 0.543631 0.602181 S\n0.663785 0.956369 0.102181 S\n0.827153 0.750000 0.312289 S\n0.672847 0.750000 0.812289 S\n0.172847 0.250000 0.687711 S\n0.327153 0.250000 0.187711 S\n0.460495 0.750000 0.499843 S\n0.039505 0.750000 0.999843 S\n0.539505 0.250000 0.500157 S\n0.960495 0.250000 0.000157 S\n0.200609 0.750000 0.717973 S\n0.299391 0.750000 0.217973 S\n0.799391 0.250000 0.282027 S\n0.700609 0.250000 0.782027 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sm",
"Th",
"S"
],
"chemical_system": "S-Sm-Th",
"density": 6.240140444921562,
"density_atomic": 0.0433760468876249,
"volume": 737.734355620349,
"volume_molar": 13.883562915730122,
"formula_full": "Sm8 Th4 S20",
"formula_reduced": "Sm2ThS5",
"formula_anonymous": "AB2C5",
"energy": -225.28451169,
"energy_per_atom": -7.0401409903125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -215.22451169,
"band_gap": 1.5222999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001249,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.183000Z",
"spacegroup": 62
},
{
"id": "mp-1219058",
"created_at": "2022-09-04T14:46:21.343740Z",
"structure_string": "Sm4 Th4 U4 S20\n1.0\n7.453817 0.000000 0.000000\n0.000000 8.010127 0.000000\n0.000000 0.000000 12.014521\nSm Th U S\n4 4 4 20\ndirect\n0.979215 0.752495 0.931549 Sm\n0.520785 0.247505 0.431549 Sm\n0.020785 0.252495 0.568451 Sm\n0.479215 0.747505 0.068451 Sm\n0.023945 0.751490 0.574267 Th\n0.476055 0.248510 0.074267 Th\n0.976055 0.251490 0.925733 Th\n0.523945 0.748510 0.425733 Th\n0.429423 0.498342 0.755541 U\n0.070577 0.501658 0.255541 U\n0.570577 0.998342 0.744459 U\n0.929423 0.001658 0.244459 U\n0.664689 0.289106 0.651631 S\n0.835311 0.710894 0.151631 S\n0.335311 0.789106 0.848369 S\n0.164689 0.210894 0.348369 S\n0.336142 0.207899 0.851751 S\n0.163858 0.792101 0.351751 S\n0.663858 0.707899 0.648249 S\n0.836142 0.292101 0.148249 S\n0.301662 0.502980 0.534505 S\n0.198338 0.497020 0.034505 S\n0.698338 0.002980 0.965495 S\n0.801662 0.997020 0.465495 S\n0.671497 0.494487 0.936618 S\n0.828503 0.505513 0.436618 S\n0.328503 0.994487 0.563382 S\n0.171497 0.005513 0.063382 S\n0.040040 0.500680 0.750226 S\n0.459960 0.499320 0.250226 S\n0.959960 0.000680 0.749774 S\n0.540040 0.999320 0.249774 S\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sm",
"Th",
"U",
"S"
],
"chemical_system": "S-Sm-Th-U",
"density": 7.229322327833453,
"density_atomic": 0.04460929805676343,
"volume": 717.339240785214,
"volume_molar": 13.499743377125286,
"formula_full": "Sm4 Th4 U4 S20",
"formula_reduced": "SmThUS5",
"formula_anonymous": "ABCD5",
"energy": -244.39337977,
"energy_per_atom": -7.6372931178125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -234.33337977,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.387355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.724000Z",
"spacegroup": 19
},
{
"id": "mp-999138",
"created_at": "2022-09-04T14:41:01.334933Z",
"structure_string": "Sm1 Tl1 S2\n1.0\n7.627000 -2.065006 0.000000\n7.627000 2.065006 0.000000\n7.067901 0.000000 3.532727\nSm Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Tl\n0.733731 0.733731 0.733731 S\n0.266269 0.266269 0.266269 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Tl",
"S"
],
"chemical_system": "S-Sm-Tl",
"density": 6.250527039146791,
"density_atomic": 0.035945526885515146,
"volume": 111.27949279307595,
"volume_molar": 16.753519232532724,
"formula_full": "Sm1 Tl1 S2",
"formula_reduced": "SmTlS2",
"formula_anonymous": "ABC2",
"energy": -22.22125596,
"energy_per_atom": -5.55531399,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.21525596,
"band_gap": 1.7401999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023171,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.643000Z",
"spacegroup": 166
},
{
"id": "mp-1208949",
"created_at": "2022-09-04T14:40:22.960282Z",
"structure_string": "Sm4 Tm11 S22\n1.0\n1.953525 19.396756 0.000000\n-1.953525 19.396756 0.000000\n0.000000 0.276200 11.265788\nSm Tm S\n4 11 22\ndirect\n0.632941 0.632941 0.348029 Sm\n0.367059 0.367059 0.651971 Sm\n0.895057 0.895057 0.011747 Sm\n0.104943 0.104943 0.988253 Sm\n0.538725 0.538725 0.270467 Tm\n0.461275 0.461275 0.729533 Tm\n0.930137 0.930137 0.359654 Tm\n0.069863 0.069863 0.640346 Tm\n0.736066 0.736066 0.352404 Tm\n0.263934 0.263934 0.647596 Tm\n0.202022 0.202022 0.058459 Tm\n0.797978 0.797978 0.941541 Tm\n0.000000 0.000000 0.000000 Tm\n0.342486 0.342486 0.301586 Tm\n0.657514 0.657514 0.698414 Tm\n0.407204 0.407204 0.210486 S\n0.592796 0.592796 0.789514 S\n0.911609 0.911609 0.753654 S\n0.088391 0.088391 0.246346 S\n0.992195 0.992195 0.239396 S\n0.007805 0.007805 0.760604 S\n0.649180 0.649180 0.093243 S\n0.350820 0.350820 0.906757 S\n0.547517 0.547517 0.030553 S\n0.452483 0.452483 0.969447 S\n0.831598 0.831598 0.149998 S\n0.168402 0.168402 0.850002 S\n0.745156 0.745156 0.119641 S\n0.254844 0.254844 0.880359 S\n0.811563 0.811563 0.691135 S\n0.188437 0.188437 0.308865 S\n0.555397 0.555397 0.493286 S\n0.444603 0.444603 0.506714 S\n0.865049 0.865049 0.454698 S\n0.134951 0.134951 0.545302 S\n0.719694 0.719694 0.589687 S\n0.280306 0.280306 0.410313 S\n",
"nsites": 37,
"nelements": 3,
"elements": [
"Sm",
"Tm",
"S"
],
"chemical_system": "S-Sm-Tm",
"density": 6.15606563469306,
"density_atomic": 0.04333732270123966,
"volume": 853.7675540104746,
"volume_molar": 13.895968612356706,
"formula_full": "Sm4 Tm11 S22",
"formula_reduced": "Sm4(TmS2)11",
"formula_anonymous": "A4B11C22",
"energy": -245.81798349,
"energy_per_atom": -6.6437292835135136,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -234.75198349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.800000Z",
"spacegroup": 12
},
{
"id": "mp-1218978",
"created_at": "2022-09-04T14:43:18.984258Z",
"structure_string": "Sm1 Tm1 S2\n1.0\n6.666159 -1.937089 0.000000\n6.666159 1.937089 0.000000\n6.103270 0.000000 3.307581\nSm Tm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Tm\n0.244132 0.244132 0.244132 S\n0.755868 0.755868 0.755868 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Tm",
"S"
],
"chemical_system": "S-Sm-Tm",
"density": 7.453545408630529,
"density_atomic": 0.046826776668417995,
"volume": 85.4212116354738,
"volume_molar": 12.860464008964327,
"formula_full": "Sm1 Tm1 S2",
"formula_reduced": "SmTmS2",
"formula_anonymous": "ABC2",
"energy": -26.38845156,
"energy_per_atom": -6.59711289,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.38245156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.175000Z",
"spacegroup": 166
},
{
"id": "mp-1219179",
"created_at": "2022-09-04T14:42:19.061787Z",
"structure_string": "Sm3 Tm1 S4\n1.0\n3.979286 0.000000 0.000000\n0.000000 5.629969 0.000000\n0.000000 0.000000 7.924952\nSm Tm S\n3 1 4\ndirect\n0.500000 0.500000 0.255250 Sm\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.744750 Sm\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.763147 S\n0.000000 0.500000 0.000000 S\n0.500000 0.000000 0.236853 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sm",
"Tm",
"S"
],
"chemical_system": "S-Sm-Tm",
"density": 6.998453423699652,
"density_atomic": 0.045059066391597666,
"volume": 177.5447349590845,
"volume_molar": 13.364992314006248,
"formula_full": "Sm3 Tm1 S4",
"formula_reduced": "Sm3TmS4",
"formula_anonymous": "AB3C4",
"energy": -53.10415308,
"energy_per_atom": -6.638019135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.09215308,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.752000Z",
"spacegroup": 47
},
{
"id": "mp-36150",
"created_at": "2022-09-04T14:43:16.319278Z",
"structure_string": "Sm4 Tm2 S8\n1.0\n-4.175102 4.175102 4.269653\n4.175102 -4.175102 4.269653\n4.175102 4.175102 -4.269653\nSm Tm S\n4 2 8\ndirect\n0.992036 0.625000 0.867036 Sm\n0.757964 0.125000 0.132964 Sm\n0.875000 0.007964 0.632964 Sm\n0.375000 0.242036 0.367036 Sm\n0.500000 0.500000 0.000000 Tm\n0.250000 0.750000 0.500000 Tm\n0.128329 0.384946 0.113287 S\n0.134946 0.378329 0.613287 S\n0.765042 0.521659 0.386713 S\n0.615054 0.728341 0.743384 S\n0.271659 0.015042 0.886713 S\n0.478341 0.865054 0.243384 S\n0.984958 0.871671 0.256616 S\n0.621671 0.234958 0.756616 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sm",
"Tm",
"S"
],
"chemical_system": "S-Sm-Tm",
"density": 6.670082659256564,
"density_atomic": 0.04702635126890793,
"volume": 297.70542732402623,
"volume_molar": 12.805885631151686,
"formula_full": "Sm4 Tm2 S8",
"formula_reduced": "Sm2TmS4",
"formula_anonymous": "AB2C4",
"energy": -92.66233157,
"energy_per_atom": -6.618737969285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.63833157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.198000Z",
"spacegroup": 122
},
{
"id": "mp-555276",
"created_at": "2022-09-04T14:42:46.204963Z",
"structure_string": "Sm8 U4 S20\n1.0\n7.461092 0.000000 0.000000\n0.000000 7.998210 0.000000\n0.000000 0.000000 11.875763\nSm U S\n8 4 20\ndirect\n0.478814 0.998893 0.322081 Sm\n0.978814 0.498893 0.177919 Sm\n0.021186 0.998893 0.822081 Sm\n0.521186 0.498893 0.677919 Sm\n0.521186 0.001107 0.677919 Sm\n0.021186 0.501107 0.822081 Sm\n0.478814 0.501107 0.322081 Sm\n0.978814 0.001107 0.177919 Sm\n0.427654 0.750000 0.009146 U\n0.072346 0.750000 0.509146 U\n0.927654 0.250000 0.490854 U\n0.572346 0.250000 0.990854 U\n0.660848 0.543110 0.902788 S\n0.160848 0.043111 0.597212 S\n0.955631 0.250000 0.999948 S\n0.301679 0.750000 0.785274 S\n0.544369 0.250000 0.499948 S\n0.160848 0.456890 0.597212 S\n0.339152 0.456890 0.097212 S\n0.328334 0.250000 0.813995 S\n0.044369 0.750000 0.000052 S\n0.801679 0.250000 0.714726 S\n0.660848 0.956890 0.902788 S\n0.198321 0.750000 0.285274 S\n0.339152 0.043111 0.097212 S\n0.171666 0.250000 0.313995 S\n0.698321 0.250000 0.214726 S\n0.839152 0.543110 0.402788 S\n0.839152 0.956890 0.402788 S\n0.671666 0.750000 0.186005 S\n0.455631 0.750000 0.500052 S\n0.828334 0.750000 0.686005 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sm",
"U",
"S"
],
"chemical_system": "S-Sm-U",
"density": 6.552023752454983,
"density_atomic": 0.045153691189857584,
"volume": 708.6906774786074,
"volume_molar": 13.3369844221123,
"formula_full": "Sm8 U4 S20",
"formula_reduced": "Sm2US5",
"formula_anonymous": "AB2C5",
"energy": -232.29813323,
"energy_per_atom": -7.2593166634375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.23813323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4468496,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.999000Z",
"spacegroup": 62
},
{
"id": "mp-1218975",
"created_at": "2022-09-04T14:40:09.474530Z",
"structure_string": "Sm1 Y1 S2\n1.0\n6.674350 -1.965572 0.000000\n6.674350 1.965572 0.000000\n6.095496 0.000000 3.354899\nSm Y S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Y\n0.246502 0.246502 0.246502 S\n0.753498 0.753498 0.753498 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Y",
"S"
],
"chemical_system": "S-Sm-Y",
"density": 5.7233638173172094,
"density_atomic": 0.045441495050754566,
"volume": 88.0252728377954,
"volume_molar": 13.252514586665212,
"formula_full": "Sm1 Y1 S2",
"formula_reduced": "SmYS2",
"formula_anonymous": "ABC2",
"energy": -28.49586789,
"energy_per_atom": -7.1239669725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.48986789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.164000Z",
"spacegroup": 166
},
{
"id": "mp-1219140",
"created_at": "2022-09-04T14:41:10.827142Z",
"structure_string": "Sm3 Y1 S4\n1.0\n1.966495 6.681533 0.000000\n-1.966495 6.681533 0.000000\n0.000000 1.307583 6.830165\nSm Y S\n3 1 4\ndirect\n0.248386 0.248386 0.253887 Sm\n0.500000 0.500000 0.500000 Sm\n0.751614 0.751614 0.746113 Sm\n0.000000 0.000000 0.000000 Y\n0.621976 0.621976 0.120310 S\n0.876859 0.876859 0.368460 S\n0.123141 0.123141 0.631540 S\n0.378024 0.378024 0.879690 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sm",
"Y",
"S"
],
"chemical_system": "S-Sm-Y",
"density": 6.182373126454941,
"density_atomic": 0.04457176497089412,
"volume": 179.48582483157426,
"volume_molar": 13.511111269505546,
"formula_full": "Sm3 Y1 S4",
"formula_reduced": "Sm3YS4",
"formula_anonymous": "AB3C4",
"energy": -55.27568507,
"energy_per_atom": -6.90946063375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.26368507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.972000Z",
"spacegroup": 12
},
{
"id": "mp-1215492",
"created_at": "2022-09-04T14:39:47.202243Z",
"structure_string": "Yb4 Sm1 S5\n1.0\n-1.995919 1.995919 14.208607\n1.995919 -1.995919 14.208607\n1.995919 1.995919 -14.208607\nYb Sm S\n4 1 5\ndirect\n0.399488 0.399488 0.000000 Yb\n0.799651 0.799651 0.000000 Yb\n0.200349 0.200349 0.000000 Yb\n0.600512 0.600512 0.000000 Yb\n0.000000 0.000000 0.000000 Sm\n0.100267 0.100267 0.000000 S\n0.500000 0.500000 0.000000 S\n0.899733 0.899733 0.000000 S\n0.300219 0.300219 0.000000 S\n0.699781 0.699781 0.000000 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Sm",
"S"
],
"chemical_system": "S-Sm-Yb",
"density": 7.355049377734033,
"density_atomic": 0.04416748616662747,
"volume": 226.41089334977605,
"volume_molar": 13.634782693496993,
"formula_full": "Yb4 Sm1 S5",
"formula_reduced": "Yb4SmS5",
"formula_anonymous": "AB4C5",
"energy": -55.99578511,
"energy_per_atom": -5.599578511,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.48078511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2488744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.837000Z",
"spacegroup": 139
},
{
"id": "mp-1215576",
"created_at": "2022-09-04T14:45:33.576266Z",
"structure_string": "Yb1 Sm4 S5\n1.0\n16.290880 -2.007976 0.000000\n16.290880 2.007976 0.000000\n16.043382 0.000000 3.469099\nYb Sm S\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Yb\n0.598784 0.598784 0.598784 Sm\n0.201187 0.201187 0.201187 Sm\n0.798813 0.798813 0.798813 Sm\n0.401216 0.401216 0.401216 Sm\n0.699267 0.699267 0.699267 S\n0.500000 0.500000 0.500000 S\n0.099905 0.099905 0.099905 S\n0.300733 0.300733 0.300733 S\n0.900095 0.900095 0.900095 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Sm",
"S"
],
"chemical_system": "S-Sm-Yb",
"density": 6.839437297058618,
"density_atomic": 0.04406058390393145,
"volume": 226.96022417232916,
"volume_molar": 13.667864168869208,
"formula_full": "Yb1 Sm4 S5",
"formula_reduced": "YbSm4S5",
"formula_anonymous": "AB4C5",
"energy": -64.17730241,
"energy_per_atom": -6.417730240999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.66230241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003645,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.406000Z",
"spacegroup": 166
}
]
}