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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3873",
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"results": [
{
"id": "jvasp-122032",
"created_at": "2022-09-04T14:38:54.812887Z",
"updated_at": "2022-09-04T14:38:54.812912Z",
"structure_string": "Pd6 Cl12\n1.0\n4.776606 -0.312408 0.468250\n1.245283 9.707716 0.904892\n0.051339 -0.218193 9.085076\nPd Cl\n6 12\ndirect\n0.534693 0.823011 0.076658 Pd\n0.014975 0.291607 0.170407 Pd\n0.256469 0.434721 0.621479 Pd\n0.465307 0.176989 0.923342 Pd\n0.985025 0.708394 0.829593 Pd\n0.743532 0.565279 0.378521 Pd\n0.349937 0.533741 0.839091 Cl\n0.146532 0.040559 0.554999 Cl\n0.029294 0.359761 0.418123 Cl\n0.650063 0.466259 0.160909 Cl\n0.475891 0.766952 0.332112 Cl\n0.524109 0.233049 0.667888 Cl\n0.616999 0.877994 0.820111 Cl\n0.970706 0.640240 0.581878 Cl\n0.045805 0.783466 0.068102 Cl\n0.383001 0.122006 0.179889 Cl\n-0.045806 0.216534 -0.068102 Cl\n0.853469 0.959442 0.445001 Cl\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Pd",
"Cl"
],
"chemical_system": "Cl-Pd",
"density": 4.153354247554608,
"density_atomic": 0.042315425679643213,
"volume": 425.3767913448949,
"volume_molar": 14.231549519533928,
"formula_full": "Pd6 Cl12",
"formula_reduced": "PdCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4513112783333333,
"spacegroup": 2
},
{
"id": "jvasp-121802",
"created_at": "2022-09-04T14:38:55.583076Z",
"updated_at": "2022-09-04T14:38:55.583104Z",
"structure_string": "Sb2 Pb2 F14\n1.0\n4.628096 -0.007450 -0.986834\n-0.526135 7.133059 -2.087868\n0.005039 -0.037733 7.659213\nSb Pb F\n2 2 14\ndirect\n0.351827 0.182919 0.282969 Sb\n0.648176 0.817082 0.717031 Sb\n0.830658 0.647424 0.203933 Pb\n0.169344 0.352577 0.796067 Pb\n0.791831 0.582476 0.599076 F\n0.208171 0.417525 0.400925 F\n0.344569 0.684997 0.774052 F\n0.655433 0.315004 0.225949 F\n0.413166 0.800952 0.475175 F\n0.586836 0.199048 0.524825 F\n0.484524 0.945810 0.168735 F\n0.112238 0.185232 0.046552 F\n0.951585 0.947282 0.659109 F\n0.048418 0.052718 0.340891 F\n0.281533 0.565222 0.093002 F\n0.718469 0.434779 0.906998 F\n0.515478 0.054190 0.831265 F\n0.887764 0.814769 0.953448 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sb",
"Pb",
"F"
],
"chemical_system": "F-Pb-Sb",
"density": 6.076612339546273,
"density_atomic": 0.07129532922652185,
"volume": 252.47095700771382,
"volume_molar": 8.446753560624227,
"formula_full": "Sb2 Pb2 F14",
"formula_reduced": "SbPbF7",
"formula_anonymous": "ABC7",
"energy_above_hull": null,
"spacegroup": 2
},
{
"id": "jvasp-119480",
"created_at": "2022-09-04T14:38:52.569589Z",
"updated_at": "2022-09-04T14:38:52.569618Z",
"structure_string": "Ta4 Ti2 O12\n1.0\n5.350590 0.002457 1.893228\n0.979224 5.260223 1.893228\n-0.004283 -0.003561 7.410144\nTa Ti O\n4 2 12\ndirect\n0.321128 0.321128 0.177568 Ta\n0.678872 0.678872 0.822432 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.346507 0.346507 0.650764 Ti\n0.653493 0.653493 0.349236 Ti\n0.383469 0.960080 0.330200 O\n0.616531 0.039920 0.669800 O\n0.299813 0.700186 0.000000 O\n0.960080 0.383470 0.330200 O\n0.094207 0.094207 0.702781 O\n0.905792 0.905793 0.297219 O\n0.434901 0.434902 0.356021 O\n0.700186 0.299814 0.000000 O\n0.565098 0.565098 0.643979 O\n0.229992 0.229992 0.969379 O\n0.770007 0.770008 0.030621 O\n0.039920 0.616531 0.669800 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"O"
],
"chemical_system": "O-Ta-Ti",
"density": 8.051510560771376,
"density_atomic": 0.08628335461074627,
"volume": 208.61497656418388,
"volume_molar": 6.979493075075648,
"formula_full": "Ta4 Ti2 O12",
"formula_reduced": "Ta2TiO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.836073081481482,
"spacegroup": 12
},
{
"id": "jvasp-120583",
"created_at": "2022-09-04T14:38:52.697890Z",
"updated_at": "2022-09-04T14:38:52.697917Z",
"structure_string": "Fe6 O5 F7\n1.0\n4.608459 0.054811 0.155168\n0.284198 5.478044 0.512425\n0.013277 0.080303 7.503394\nFe O F\n6 5 7\ndirect\n0.570249 0.824864 0.658313 Fe\n0.500606 0.490423 0.017742 Fe\n0.506646 0.167734 0.321396 Fe\n0.972770 0.333532 0.688867 Fe\n0.001730 0.664552 0.328655 Fe\n0.972189 0.014646 0.982089 Fe\n0.287009 0.461376 0.236449 O\n0.708377 0.877982 0.415003 O\n0.693551 0.530709 0.789192 O\n0.696885 0.206157 0.103710 O\n0.796307 0.030297 0.761092 O\n0.800912 0.387822 0.434563 F\n0.788059 0.690247 0.106025 F\n0.296381 0.137499 0.562077 F\n0.293493 0.791470 0.904006 F\n0.189929 0.947029 0.223870 F\n0.195156 0.638869 0.557123 F\n0.229765 0.304782 0.909832 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.812327131346727,
"density_atomic": 0.09518176497466527,
"volume": 189.11185356555532,
"volume_molar": 6.326990008646011,
"formula_full": "Fe6 O5 F7",
"formula_reduced": "Fe6O5F7",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.1092523598611117,
"spacegroup": 1
},
{
"id": "jvasp-111787",
"created_at": "2022-09-04T14:38:53.034869Z",
"updated_at": "2022-09-04T14:38:53.034903Z",
"structure_string": "Rb2 Sb2 W2 O12\n1.0\n6.395292 -0.026651 -3.573809\n-2.148307 5.919981 -3.743152\n0.068839 0.026651 7.325785\nRb Sb W O\n2 2 2 12\ndirect\n0.659510 0.382327 0.777182 Rb\n0.394855 0.617673 0.277182 Rb\n-0.003731 0.500000 0.496269 Sb\n-0.003731 -0.000000 -0.003731 Sb\n0.515497 0.991197 0.024302 W\n0.033105 0.008803 0.524302 W\n0.316656 0.688792 0.752840 O\n0.934674 0.066754 0.743406 O\n0.317505 0.063209 0.754296 O\n0.916100 0.672183 0.743917 O\n0.064048 0.311207 0.627863 O\n0.064048 0.936184 0.252841 O\n0.676653 0.308733 0.243406 O\n0.316656 0.063816 0.127863 O\n0.691089 0.936791 0.254297 O\n0.071735 0.327817 0.243917 O\n0.676652 0.933246 0.867921 O\n0.934674 0.691267 0.367921 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"W",
"O"
],
"chemical_system": "O-Rb-Sb-W",
"density": 5.7927734335612335,
"density_atomic": 0.0644605111970347,
"volume": 279.2407268533736,
"volume_molar": 9.342372016865154,
"formula_full": "Rb2 Sb2 W2 O12",
"formula_reduced": "RbSbWO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.8015374555555552,
"spacegroup": 46
},
{
"id": "jvasp-117426",
"created_at": "2022-09-04T14:38:49.892250Z",
"updated_at": "2022-09-04T14:38:49.892272Z",
"structure_string": "Na8 V2 O8\n1.0\n5.399870 -0.007795 1.908919\n1.894120 5.327422 0.956308\n0.002800 -0.044590 8.662008\nNa V O\n8 2 8\ndirect\n0.476734 0.734429 0.567337 Na\n0.947934 0.238624 0.604118 Na\n0.523266 0.265572 0.432663 Na\n0.052066 0.761377 0.395883 Na\n0.611243 0.732424 0.181818 Na\n0.758444 0.244473 0.012356 Na\n0.241556 0.755528 0.987645 Na\n0.388756 0.267576 0.818182 Na\n0.842924 0.719525 0.756317 V\n0.157076 0.280475 0.243684 V\n0.700865 0.974055 0.624352 O\n0.163025 0.523181 0.637899 O\n0.836975 0.476820 0.362102 O\n0.299135 0.025945 0.375649 O\n0.365102 0.473619 0.197551 O\n0.144686 0.152010 0.072796 O\n0.634897 0.526382 0.802450 O\n0.855314 0.847990 0.927205 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 2.7556453192044037,
"density_atomic": 0.07218717830314443,
"volume": 249.35176056349513,
"volume_molar": 8.342396671484359,
"formula_full": "Na8 V2 O8",
"formula_reduced": "Na4VO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.2389493555555555,
"spacegroup": 2
},
{
"id": "jvasp-120467",
"created_at": "2022-09-04T14:38:52.073244Z",
"updated_at": "2022-09-04T14:38:52.073267Z",
"structure_string": "Tb12 Co4 Sn2\n1.0\n7.881395 0.002854 -2.768125\n-3.681920 6.800744 -3.157890\n0.000134 -0.002854 8.353377\nTb Co Sn\n12 4 2\ndirect\n0.442771 0.235857 0.206914 Tb\n0.676117 0.989358 0.313240 Tb\n0.323882 0.010642 0.686759 Tb\n0.676118 0.362877 0.686759 Tb\n0.815706 0.285029 0.100735 Tb\n0.184294 0.714971 0.899265 Tb\n0.323882 0.637123 0.313241 Tb\n0.184294 0.285030 0.469324 Tb\n0.971057 0.764142 0.206913 Tb\n0.028943 0.235857 0.793086 Tb\n0.557229 0.764143 0.793086 Tb\n0.815706 0.714970 0.530676 Tb\n0.342831 -0.000000 0.342831 Co\n0.657169 -0.000000 0.657169 Co\n0.113075 0.613075 0.500000 Co\n0.886925 0.386924 0.500000 Co\n0.500000 0.499999 -0.000001 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"Co",
"Sn"
],
"chemical_system": "Co-Sn-Tb",
"density": 8.82797036484291,
"density_atomic": 0.04020318189551801,
"volume": 447.7257558065746,
"volume_molar": 14.979264018580999,
"formula_full": "Tb12 Co4 Sn2",
"formula_reduced": "Tb6Co2Sn",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.005922655555556,
"spacegroup": 71
},
{
"id": "jvasp-120435",
"created_at": "2022-09-04T14:38:52.052426Z",
"updated_at": "2022-09-04T14:38:52.052444Z",
"structure_string": "Y6 Mn2 Au10\n1.0\n7.136131 -0.008472 3.145037\n2.047575 6.836072 3.145037\n-0.011396 -0.008472 7.798429\nY Mn Au\n6 2 10\ndirect\n0.891704 0.191351 0.620761 Y\n0.620760 0.891704 0.191352 Y\n0.191350 0.620761 0.891705 Y\n0.108295 0.808649 0.379240 Y\n0.379239 0.108296 0.808650 Y\n0.808649 0.379240 0.108296 Y\n0.654119 0.654120 0.654121 Mn\n0.345880 0.345880 0.345881 Mn\n0.060985 0.446436 0.682862 Au\n0.553563 0.317139 0.939015 Au\n0.317138 0.939014 0.553565 Au\n0.939013 0.553565 0.317140 Au\n0.000000 0.000000 0.000000 Au\n0.801750 0.801751 0.801752 Au\n0.499999 0.500000 0.500001 Au\n0.682861 0.060986 0.446436 Au\n0.198248 0.198249 0.198249 Au\n0.446435 0.682861 0.060987 Au\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Au"
],
"chemical_system": "Au-Mn-Y",
"density": 11.389882390348406,
"density_atomic": 0.0472505730830687,
"volume": 380.94776053520377,
"volume_molar": 12.745116867498723,
"formula_full": "Y6 Mn2 Au10",
"formula_reduced": "Y3MnAu5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.9001723823754797,
"spacegroup": 148
},
{
"id": "jvasp-122105",
"created_at": "2022-09-04T14:38:54.919835Z",
"updated_at": "2022-09-04T14:38:54.919851Z",
"structure_string": "Rb4 Mo2 O4 F8\n1.0\n7.654376 0.019840 0.000000\n-5.340053 5.483950 0.000000\n-0.000000 -0.000000 7.070162\nRb Mo O F\n4 2 4 8\ndirect\n0.773750 0.226250 0.498033 Rb\n0.226251 0.773750 0.998033 Rb\n0.545926 0.454074 0.005738 Rb\n0.454075 0.545926 0.505738 Rb\n0.883638 0.116362 0.982921 Mo\n0.116363 0.883638 0.482922 Mo\n0.344927 0.105050 0.329041 O\n0.655074 0.894950 0.829040 O\n0.894951 0.655073 0.329041 O\n0.105050 0.344927 0.829040 O\n0.981691 0.018309 0.523740 F\n0.745870 0.254131 0.026989 F\n0.254131 0.745869 0.526989 F\n0.105876 0.344553 0.205249 F\n0.894125 0.655447 0.705249 F\n0.344553 0.105876 0.705249 F\n0.655448 0.894124 0.205249 F\n0.018309 0.981691 0.023740 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Mo",
"O",
"F"
],
"chemical_system": "F-Mo-O-Rb",
"density": 4.184369897392364,
"density_atomic": 0.06049856828552694,
"volume": 297.52770206144095,
"volume_molar": 9.954187232296329,
"formula_full": "Rb4 Mo2 O4 F8",
"formula_reduced": "Rb2Mo(OF2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": null,
"spacegroup": 36
},
{
"id": "jvasp-120428",
"created_at": "2022-09-04T14:38:52.048462Z",
"updated_at": "2022-09-04T14:38:52.048491Z",
"structure_string": "Pr6 C2 Br10\n1.0\n7.535108 -0.022437 -1.008719\n-2.941333 8.114280 -2.868236\n-0.005585 0.015391 9.160583\nPr C Br\n6 2 10\ndirect\n0.888373 0.959048 0.237200 Pr\n0.111626 0.040952 0.762799 Pr\n0.023282 0.712383 0.915081 Pr\n0.976718 0.287617 0.084918 Pr\n0.599224 0.841222 0.796164 Pr\n0.400776 0.158777 0.203835 Pr\n0.906827 0.965659 0.954339 C\n0.093172 0.034341 0.045660 C\n0.097011 0.374335 0.817187 Br\n0.902989 0.625664 0.182812 Br\n0.165607 0.719196 0.628514 Br\n0.834393 0.280803 0.371485 Br\n0.734176 0.914453 0.530087 Br\n0.452904 0.814220 0.089331 Br\n0.265824 0.085547 0.469912 Br\n0.635932 0.517554 0.714749 Br\n0.547096 0.185779 0.910668 Br\n0.364068 0.482445 0.285250 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pr",
"C",
"Br"
],
"chemical_system": "Br-C-Pr",
"density": 4.949095450342245,
"density_atomic": 0.03215297230313903,
"volume": 559.8238268703604,
"volume_molar": 18.729654923417673,
"formula_full": "Pr6 C2 Br10",
"formula_reduced": "Pr3CBr5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.2187833416666665,
"spacegroup": 2
},
{
"id": "jvasp-122041",
"created_at": "2022-09-04T14:38:54.916350Z",
"updated_at": "2022-09-04T14:38:54.916371Z",
"structure_string": "Sr10 Pb6 F2\n1.0\n7.832722 -0.020163 -6.296613\n-1.810727 7.620578 -6.296613\n0.015976 0.020163 10.049807\nSr Pb F\n10 6 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.311699 0.491340 0.500000 Sr\n0.811699 0.311699 0.820360 Sr\n0.491339 0.991340 0.179642 Sr\n0.688301 0.508661 0.500001 Sr\n0.991339 0.811699 0.500001 Sr\n0.188301 0.688302 0.179641 Sr\n0.508661 0.008660 0.820360 Sr\n0.000000 0.000000 0.000000 Sr\n0.008661 0.188301 0.500000 Sr\n0.250000 0.250000 0.000000 Pb\n0.750000 0.750001 0.000001 Pb\n0.871713 0.371713 0.243427 Pb\n0.128287 0.628287 0.756576 Pb\n0.371713 0.128287 0.500000 Pb\n0.628287 0.871713 0.500001 Pb\n0.250000 0.750000 0.500001 F\n0.750000 0.250000 0.500001 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"F"
],
"chemical_system": "F-Pb-Sr",
"density": 5.9558694446404,
"density_atomic": 0.02992530223908853,
"volume": 601.4976843404555,
"volume_molar": 20.123909566179286,
"formula_full": "Sr10 Pb6 F2",
"formula_reduced": "Sr5Pb3F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-119228",
"created_at": "2022-09-04T14:38:49.923527Z",
"updated_at": "2022-09-04T14:38:49.923540Z",
"structure_string": "Zn6 Ga4 N8\n1.0\n6.394453 -0.004368 -0.451940\n-6.879124 6.380427 0.000001\n-0.005315 -0.005731 5.355307\nZn Ga N\n6 4 8\ndirect\n0.228471 0.962447 0.099538 Zn\n0.771530 0.733976 0.400462 Zn\n0.771529 0.037553 0.900463 Zn\n0.228470 0.266024 0.599538 Zn\n0.000000 0.657164 0.750000 Zn\n0.000000 0.342836 0.250000 Zn\n0.573775 0.398959 0.134283 Ga\n0.426225 0.825184 0.365718 Ga\n0.573775 0.174816 0.634283 Ga\n0.426225 0.601041 0.865718 Ga\n0.377247 0.769656 0.994792 N\n0.201092 0.888987 0.487281 N\n0.798909 0.687895 0.012719 N\n0.798908 0.111013 0.512720 N\n0.201091 0.312105 0.987281 N\n0.622753 0.230344 0.005208 N\n0.377247 0.607591 0.494792 N\n0.622752 0.392409 0.505208 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"N"
],
"chemical_system": "Ga-N-Zn",
"density": 5.959102113085567,
"density_atomic": 0.08245573923334838,
"volume": 218.29893428109713,
"volume_molar": 7.303482833326425,
"formula_full": "Zn6 Ga4 N8",
"formula_reduced": "Zn3(GaN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.9622732055555556,
"spacegroup": 15
}
]
}