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_reduced&page=11485",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=11483",
"results": [
{
"id": "mp-1096270",
"created_at": "2022-09-04T14:44:02.026539Z",
"structure_string": "Y2 Al1 Pb1\n1.0\n-5.768082 6.523552 9.462443\n5.768082 -6.523552 9.462443\n5.768082 6.523552 -9.462443\nY Al Pb\n2 1 1\ndirect\n0.000000 0.252296 0.252296 Y\n0.000000 0.747704 0.747704 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Al",
"Pb"
],
"chemical_system": "Al-Pb-Y",
"density": 0.4803528415361412,
"density_atomic": 0.002808543593604782,
"volume": 1424.2257122546484,
"volume_molar": 214.42219283021873,
"formula_full": "Y2 Al1 Pb1",
"formula_reduced": "Y2AlPb",
"formula_anonymous": "ABC2",
"energy": -12.21022062,
"energy_per_atom": -3.052555155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.21022062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0650508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.262000Z",
"spacegroup": 71
},
{
"id": "mp-1096091",
"created_at": "2022-09-04T14:41:32.168472Z",
"structure_string": "Y2 Al1 Ru1\n1.0\n-5.283292 5.826510 8.237526\n5.283292 -5.826510 8.237526\n5.283292 5.826510 -8.237526\nY Al Ru\n2 1 1\ndirect\n0.000000 0.278178 0.278178 Y\n0.000000 0.721822 0.721822 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Y",
"density": 0.5007333070383341,
"density_atomic": 0.003943574877516822,
"volume": 1014.308114904796,
"volume_molar": 152.70765604917338,
"formula_full": "Y2 Al1 Ru1",
"formula_reduced": "Y2AlRu",
"formula_anonymous": "ABC2",
"energy": -16.68091226,
"energy_per_atom": -4.170228065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.68091226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9710345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.638000Z",
"spacegroup": 71
},
{
"id": "mp-1187765",
"created_at": "2022-09-04T14:47:59.093370Z",
"structure_string": "Y2 Al1 Ru1\n1.0\n0.000000 3.513421 3.513421\n3.513421 0.000000 3.513421\n3.513421 3.513421 0.000000\nY Al Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Y\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Y",
"density": 5.855389723176752,
"density_atomic": 0.04611470314800181,
"volume": 86.74023092292904,
"volume_molar": 13.059047004319586,
"formula_full": "Y2 Al1 Ru1",
"formula_reduced": "Y2AlRu",
"formula_anonymous": "ABC2",
"energy": -27.37579915,
"energy_per_atom": -6.8439497875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.37579915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082566,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.028000Z",
"spacegroup": 225
},
{
"id": "mp-10527",
"created_at": "2022-09-04T14:47:06.075782Z",
"structure_string": "Y2 Al1 Si2\n1.0\n-2.029905 2.918013 4.350243\n2.029905 -2.918013 4.350243\n2.029905 2.918013 -4.350243\nY Al Si\n2 1 2\ndirect\n0.711106 0.211106 0.500000 Y\n0.288894 0.788894 0.500000 Y\n0.000000 0.000000 0.000000 Al\n0.289000 0.500000 0.789000 Si\n0.711000 0.500000 0.211000 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Al",
"Si"
],
"chemical_system": "Al-Si-Y",
"density": 4.204299548928355,
"density_atomic": 0.048510255323544416,
"volume": 103.07098914759275,
"volume_molar": 12.414160098384722,
"formula_full": "Y2 Al1 Si2",
"formula_reduced": "Y2AlSi2",
"formula_anonymous": "AB2C2",
"energy": -31.07343379,
"energy_per_atom": -6.214686758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.21543379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005768,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.806000Z",
"spacegroup": 71
},
{
"id": "mp-1100918",
"created_at": "2022-09-04T14:41:32.978742Z",
"structure_string": "Y6 Al3 Si3 N3 O15\n1.0\n4.016690 -0.481899 0.177262\n-2.394023 4.593909 0.037415\n0.775865 0.668348 27.433370\nY Al Si N O\n6 3 3 3 15\ndirect\n0.060570 0.109095 0.353221 Y\n0.094497 0.989914 0.681161 Y\n0.119038 0.139685 0.012471 Y\n0.987061 0.937841 0.821399 Y\n0.027875 0.077765 0.146249 Y\n0.974252 0.059462 0.486606 Y\n0.683132 0.321121 0.246445 Al\n0.692821 0.386058 0.576228 Al\n0.746574 0.302956 0.907727 Al\n0.231788 0.611133 0.750892 Si\n0.261805 0.634312 0.081140 Si\n0.210994 0.612791 0.418567 Si\n0.461646 0.087592 0.535528 N\n0.367878 0.314476 0.876538 N\n0.135857 0.247345 0.750849 N\n0.423051 0.628656 0.135290 O\n0.510382 0.667427 0.028227 O\n0.455340 0.648338 0.364785 O\n0.476743 0.838022 0.699203 O\n0.379278 0.601487 0.471764 O\n0.390105 0.794139 0.802742 O\n0.630080 0.203265 0.305920 O\n0.545974 0.149030 0.192736 O\n0.645977 0.446610 0.636210 O\n0.700508 0.220393 0.969583 O\n0.089544 0.860544 0.418425 O\n0.138474 0.882379 0.080336 O\n0.828499 0.619502 0.749840 O\n0.894223 0.261538 0.081508 O\n0.842034 0.241123 0.418412 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Y",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-N-O-Si-Y",
"density": 3.438860442006071,
"density_atomic": 0.06335397438788279,
"volume": 473.52988174547517,
"volume_molar": 9.505545339791354,
"formula_full": "Y6 Al3 Si3 N3 O15",
"formula_reduced": "Y2AlSiNO5",
"formula_anonymous": "ABCD2E5",
"energy": -247.96280856,
"energy_per_atom": -8.265426952,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -236.57480856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2005723,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.649000Z",
"spacegroup": 1
},
{
"id": "mp-1097217",
"created_at": "2022-09-04T14:44:13.125427Z",
"structure_string": "Y2 Al1 Tl1\n1.0\n-5.904698 6.609258 9.336448\n5.904698 -6.609258 9.336448\n5.904698 6.609258 -9.336448\nY Al Tl\n2 1 1\ndirect\n0.000000 0.245196 0.245196 Y\n0.000000 0.754804 0.754804 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Al",
"Tl"
],
"chemical_system": "Al-Tl-Y",
"density": 0.46619515093698927,
"density_atomic": 0.002744529616627638,
"volume": 1457.4446476241822,
"volume_molar": 219.42342044753562,
"formula_full": "Y2 Al1 Tl1",
"formula_reduced": "Y2AlTl",
"formula_anonymous": "ABC2",
"energy": -10.38211849,
"energy_per_atom": -2.5955296225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.38211849,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.997749,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.884000Z",
"spacegroup": 71
},
{
"id": "mp-865560",
"created_at": "2022-09-04T14:41:57.880261Z",
"structure_string": "Y2 Al1 Zn1\n1.0\n0.000000 3.601950 3.601950\n3.601950 0.000000 3.601950\n3.601950 3.601950 0.000000\nY Al Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Al",
"Zn"
],
"chemical_system": "Al-Y-Zn",
"density": 4.800594296558803,
"density_atomic": 0.042797357631545435,
"volume": 93.46371414882975,
"volume_molar": 14.07129106391641,
"formula_full": "Y2 Al1 Zn1",
"formula_reduced": "Y2AlZn",
"formula_anonymous": "ABC2",
"energy": -19.5643553,
"energy_per_atom": -4.891088825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.5643553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011858,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.749000Z",
"spacegroup": 225
},
{
"id": "mp-1216186",
"created_at": "2022-09-04T14:45:33.733300Z",
"structure_string": "Y2 As7 Rh12\n1.0\n4.990871 -8.644442 0.000000\n4.990871 8.644442 0.000000\n0.000000 0.000000 3.940968\nY As Rh\n2 7 12\ndirect\n0.333333 0.666667 0.748796 Y\n0.000000 0.000000 0.250939 Y\n0.666667 0.333333 0.584591 As\n0.953814 0.214097 0.751837 As\n0.785903 0.739717 0.751837 As\n0.260283 0.046186 0.751837 As\n0.378183 0.449684 0.250763 As\n0.550316 0.928499 0.250763 As\n0.071501 0.621817 0.250763 As\n0.733538 0.951988 0.750758 Rh\n0.048012 0.781550 0.750758 Rh\n0.218450 0.266462 0.750758 Rh\n0.599255 0.714920 0.251058 Rh\n0.285080 0.884336 0.251058 Rh\n0.115664 0.400745 0.251058 Rh\n0.934651 0.449285 0.750476 Rh\n0.550715 0.485366 0.750476 Rh\n0.514634 0.065349 0.750476 Rh\n0.408028 0.219338 0.251727 Rh\n0.780662 0.188690 0.251727 Rh\n0.811310 0.591972 0.251727 Rh\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Y",
"As",
"Rh"
],
"chemical_system": "As-Rh-Y",
"density": 9.459352383262436,
"density_atomic": 0.061755135808092734,
"volume": 340.0526891440832,
"volume_molar": 9.751643618296159,
"formula_full": "Y2 As7 Rh12",
"formula_reduced": "Y2As7Rh12",
"formula_anonymous": "A2B7C12",
"energy": -148.42571434,
"energy_per_atom": -7.06789115904762,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.42571434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0404599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.158000Z",
"spacegroup": 143
},
{
"id": "mp-1216047",
"created_at": "2022-09-04T14:45:57.820382Z",
"structure_string": "Y2 As1 S1\n1.0\n6.626988 -2.019702 0.000000\n6.626988 2.019702 0.000000\n6.011445 0.000000 3.443646\nY As S\n2 1 1\ndirect\n0.249325 0.249325 0.249325 Y\n0.750675 0.750675 0.750675 Y\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"As",
"S"
],
"chemical_system": "As-S-Y",
"density": 5.130202573899421,
"density_atomic": 0.043391834906336454,
"volume": 92.18324158529386,
"volume_molar": 13.87851141349313,
"formula_full": "Y2 As1 S1",
"formula_reduced": "Y2AsS",
"formula_anonymous": "ABC2",
"energy": -29.4475228,
"energy_per_atom": -7.3618807,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.9445228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011689,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.445000Z",
"spacegroup": 166
},
{
"id": "mp-979911",
"created_at": "2022-09-04T14:42:54.012979Z",
"structure_string": "Y8 Au4\n1.0\n4.982816 0.000000 0.000000\n0.000000 7.182286 0.000000\n0.000000 0.000000 8.999457\nY Au\n8 4\ndirect\n0.250000 0.148047 0.580643 Y\n0.750000 0.484411 0.675962 Y\n0.750000 0.984411 0.824038 Y\n0.250000 0.648047 0.919357 Y\n0.750000 0.351953 0.080643 Y\n0.250000 0.015589 0.175962 Y\n0.250000 0.515589 0.324038 Y\n0.750000 0.851953 0.419357 Y\n0.250000 0.742524 0.600004 Au\n0.250000 0.242524 0.899996 Au\n0.750000 0.757476 0.100004 Au\n0.750000 0.257476 0.399996 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Y",
"Au"
],
"chemical_system": "Au-Y",
"density": 7.729112673790043,
"density_atomic": 0.03725867399815717,
"volume": 322.0726534871726,
"volume_molar": 16.163057118720488,
"formula_full": "Y8 Au4",
"formula_reduced": "Y2Au",
"formula_anonymous": "AB2",
"energy": -72.58702757,
"energy_per_atom": -6.048918964166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.58702757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062986,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.989000Z",
"spacegroup": 62
},
{
"id": "mp-30309",
"created_at": "2022-09-04T14:46:12.027307Z",
"structure_string": "Y4 Au10 F42\n1.0\n8.127085 0.000000 0.000000\n0.000000 9.203191 0.000000\n0.000000 9.007308 12.147458\nY Au F\n4 10 42\ndirect\n0.667949 0.184741 0.497962 Y\n0.667949 0.815259 0.002038 Y\n0.332051 0.815259 0.502038 Y\n0.332051 0.184741 0.997962 Y\n0.560154 0.305802 0.706366 Au\n0.560154 0.694198 0.793634 Au\n0.831805 0.127880 0.095132 Au\n0.831805 0.872120 0.404868 Au\n0.168195 0.872120 0.904868 Au\n0.168195 0.127880 0.595132 Au\n0.439846 0.305802 0.206366 Au\n0.439846 0.694198 0.293634 Au\n0.018007 0.500000 0.250000 Au\n0.981993 0.500000 0.750000 Au\n0.416850 0.306658 0.810629 F\n0.416850 0.693342 0.689371 F\n0.583150 0.693342 0.189371 F\n0.583150 0.306658 0.310629 F\n0.410090 0.857276 0.897451 F\n0.410090 0.142724 0.602549 F\n0.589910 0.142724 0.102549 F\n0.589910 0.857276 0.397451 F\n0.174922 0.015148 0.964870 F\n0.174922 0.984852 0.535130 F\n0.825078 0.984852 0.035130 F\n0.825078 0.015148 0.464870 F\n0.149274 0.396215 0.869150 F\n0.149274 0.603785 0.630850 F\n0.674093 0.918399 0.678933 F\n0.674093 0.081601 0.821067 F\n0.325907 0.081601 0.321067 F\n0.325907 0.918399 0.178933 F\n0.926693 0.880395 0.909976 F\n0.926693 0.119605 0.590024 F\n0.073307 0.119605 0.090024 F\n0.073307 0.880395 0.409976 F\n0.699761 0.695709 0.899659 F\n0.699761 0.304291 0.600341 F\n0.300239 0.304291 0.100341 F\n0.300239 0.695709 0.399659 F\n0.153788 0.746958 0.837980 F\n0.153788 0.253042 0.662020 F\n0.846212 0.253042 0.162020 F\n0.846212 0.746958 0.337980 F\n0.500000 0.000000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.536398 0.462672 0.415502 F\n0.536398 0.537328 0.084498 F\n0.463602 0.537328 0.584498 F\n0.463602 0.462672 0.915502 F\n0.189535 0.400697 0.361010 F\n0.189535 0.599303 0.138990 F\n0.810465 0.599303 0.638990 F\n0.810465 0.400697 0.861010 F\n0.850726 0.396215 0.369150 F\n0.850726 0.603785 0.130850 F\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Y",
"Au",
"F"
],
"chemical_system": "Au-F-Y",
"density": 5.708122864898072,
"density_atomic": 0.06163528145685799,
"volume": 908.5705244843825,
"volume_molar": 9.770606408628531,
"formula_full": "Y4 Au10 F42",
"formula_reduced": "Y2Au5F21",
"formula_anonymous": "A2B5C21",
"energy": -263.38880273,
"energy_per_atom": -4.703371477321428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -243.98480273,
"band_gap": 1.7087,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.562000Z",
"spacegroup": 13
},
{
"id": "mp-1216181",
"created_at": "2022-09-04T14:45:16.868144Z",
"structure_string": "Y2 B6 Rh9\n1.0\n2.805543 -4.859343 0.000000\n2.805543 4.859343 0.000000\n0.000000 0.000000 8.600749\nY B Rh\n2 6 9\ndirect\n0.000000 0.000000 0.706147 Y\n0.000000 0.000000 0.293853 Y\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.667505 B\n0.333333 0.666667 0.667505 B\n0.333333 0.666667 0.332495 B\n0.666667 0.333333 0.332495 B\n0.500000 0.500000 0.835657 Rh\n0.500000 0.000000 0.835657 Rh\n0.000000 0.500000 0.835657 Rh\n0.500000 0.500000 0.164343 Rh\n0.500000 0.000000 0.164343 Rh\n0.000000 0.500000 0.164343 Rh\n0.500000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Y",
"B",
"Rh"
],
"chemical_system": "B-Rh-Y",
"density": 8.276346281830678,
"density_atomic": 0.07249168047967126,
"volume": 234.50966907529872,
"volume_molar": 8.307354333838045,
"formula_full": "Y2 B6 Rh9",
"formula_reduced": "Y2(B2Rh3)3",
"formula_anonymous": "A2B6C9",
"energy": -130.04774074,
"energy_per_atom": -7.649867102352941,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.04774074,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008556,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.446000Z",
"spacegroup": 191
}
]
}