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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=184",
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"results": [
{
"id": "jvasp-57615",
"created_at": "2022-09-04T14:38:35.823297Z",
"updated_at": "2022-09-04T14:38:35.823362Z",
"structure_string": "Pr6 Si4 S16 Br2\n1.0\n7.777897 0.000000 0.000000\n-3.888949 7.814623 -1.051381\n0.000000 -0.031972 10.984527\nPr Si S Br\n6 4 16 2\ndirect\n0.925420 0.610144 0.316590 Pr\n0.315276 0.389855 0.183410 Pr\n0.612510 0.000000 0.250000 Pr\n0.684724 0.610145 0.816590 Pr\n0.074580 0.389856 0.683411 Pr\n0.387490 0.000000 0.750000 Pr\n0.306059 0.680701 0.971729 Si\n0.693940 0.319299 0.028271 Si\n0.625358 0.319299 0.528272 Si\n0.374642 0.680701 0.471729 Si\n0.408065 0.131225 0.044589 S\n0.287346 0.431784 0.915365 S\n0.855562 0.568216 0.584635 S\n0.448054 0.704377 0.661755 S\n0.894275 0.291304 0.143619 S\n0.712654 0.568216 0.084635 S\n0.551946 0.295623 0.338245 S\n0.105725 0.708696 0.856381 S\n0.256322 0.704377 0.161755 S\n0.743678 0.295623 0.838245 S\n0.723159 0.131225 0.544590 S\n0.602971 0.708696 0.356381 S\n0.397029 0.291304 0.643619 S\n0.144438 0.431784 0.415365 S\n0.591935 0.868775 0.955411 S\n0.276841 0.868775 0.455411 S\n0.008944 0.000000 0.250000 Br\n0.991057 0.000000 0.750000 Br\n",
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],
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"volume": 667.3927390148183,
"volume_molar": 14.354046487675642,
"formula_full": "Pr6 Si4 S16 Br2",
"formula_reduced": "Pr3Si2S8Br",
"formula_anonymous": "AB2C3D8",
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{
"id": "jvasp-119553",
"created_at": "2022-09-04T14:38:51.306909Z",
"updated_at": "2022-09-04T14:38:51.306933Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n4.790584 -0.131475 -0.290517\n-1.811595 6.407262 -0.310643\n0.034837 -0.003621 8.033863\nLi Mn P O\n2 2 4 14\ndirect\n0.436778 0.522841 0.931233 Li\n0.060875 0.972962 0.441364 Li\n0.508541 0.500922 0.497709 Mn\n0.009818 0.007000 -0.000850 Mn\n0.564798 0.160435 0.763169 P\n0.125446 0.739863 0.695132 P\n0.890853 0.269392 0.300002 P\n0.450120 0.841815 0.230006 P\n0.192662 0.933315 0.201839 O\n0.696248 0.411462 0.316415 O\n0.359710 0.671967 0.352626 O\n0.700852 0.029273 0.338966 O\n0.141664 0.286460 0.434150 O\n0.879218 0.715568 0.557907 O\n0.815656 0.069895 0.803487 O\n0.660505 0.335648 0.645431 O\n0.319459 0.592782 0.687437 O\n0.977862 0.259749 0.119949 O\n0.038148 0.751732 0.874743 O\n0.416251 0.219583 0.912161 O\n0.322717 0.972142 0.648499 O\n0.580733 0.785874 0.073765 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.200053129056637,
"density_atomic": 0.08989091034128717,
"volume": 244.74109691928808,
"volume_molar": 6.699387888203432,
"formula_full": "Li2 Mn2 P4 O14",
"formula_reduced": "LiMnP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.855619340125392,
"spacegroup": 1
},
{
"id": "jvasp-110661",
"created_at": "2022-09-04T14:38:36.085566Z",
"updated_at": "2022-09-04T14:38:36.085598Z",
"structure_string": "K2 Li1 Sb1 Br6\n1.0\n6.679493 -0.000000 3.856407\n2.226498 6.297487 3.856407\n-0.000000 -0.000000 7.712815\nK Li Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.744066 0.255934 0.255934 Br\n0.255934 0.255934 0.744066 Br\n0.255934 0.744066 0.744066 Br\n0.255934 0.744066 0.255934 Br\n0.744066 0.255934 0.744066 Br\n0.744066 0.744066 0.255934 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.5127971485122913,
"density_atomic": 0.030823099399724864,
"volume": 324.43200699308204,
"volume_molar": 19.537752131616447,
"formula_full": "K2 Li1 Sb1 Br6",
"formula_reduced": "K2LiSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-119725",
"created_at": "2022-09-04T14:38:50.465405Z",
"updated_at": "2022-09-04T14:38:50.465431Z",
"structure_string": "Li7 Fe1 O5 F1\n1.0\n4.761097 -0.015977 -2.463770\n-2.759799 4.663778 -0.045167\n0.071315 0.050203 5.659814\nLi Fe O F\n7 1 5 1\ndirect\n0.525223 0.117854 0.177102 Li\n0.896726 0.768268 0.387252 Li\n0.737243 0.486312 0.686735 Li\n0.195802 0.470001 0.319421 Li\n0.129697 0.222806 0.658560 Li\n0.441182 0.931738 0.643073 Li\n0.308271 0.639868 0.970251 Li\n0.943125 0.952849 0.990227 Fe\n0.875709 0.074566 0.252772 O\n0.890199 0.231184 0.817358 O\n0.494785 0.614743 0.752452 O\n0.177795 0.809074 0.246406 O\n0.133554 0.896918 0.789890 O\n0.530382 0.441705 0.293659 F\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.1105875271654498,
"volume": 126.59655531545276,
"volume_molar": 5.445587684577019,
"formula_full": "Li7 Fe1 O5 F1",
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"formula_anonymous": "ABC5D7",
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"spacegroup": 1
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{
"id": "jvasp-110666",
"created_at": "2022-09-04T14:38:50.090125Z",
"updated_at": "2022-09-04T14:38:50.090135Z",
"structure_string": "Na2 In1 Cu1 Br6\n1.0\n6.506439 -0.000000 3.756495\n2.168813 6.134330 3.756495\n-0.000000 -0.000000 7.512989\nNa In Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.744333 0.255667 0.255666 Br\n0.255667 0.255667 0.744333 Br\n0.255667 0.744333 0.744333 Br\n0.255667 0.744333 0.255667 Br\n0.744333 0.255667 0.744333 Br\n0.744333 0.744333 0.255666 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "Br-Cu-In-Na",
"density": 3.8972213908798854,
"density_atomic": 0.03334853415503384,
"volume": 299.8632549638029,
"volume_molar": 18.058187301437897,
"formula_full": "Na2 In1 Cu1 Br6",
"formula_reduced": "Na2InCuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112012",
"created_at": "2022-09-04T14:38:41.729546Z",
"updated_at": "2022-09-04T14:38:41.729564Z",
"structure_string": "Ca2 H8 C8 O8\n1.0\n4.263746 -0.072938 0.123092\n-0.147678 6.660730 2.883090\n-0.131155 0.093422 8.483161\nCa H C O\n2 8 8 8\ndirect\n0.786911 0.575744 0.702569 Ca\n0.786912 0.075744 0.702569 Ca\n0.464953 0.909735 0.237580 H\n0.464954 0.409735 0.237580 H\n0.493035 0.107792 0.304848 H\n0.493035 0.607792 0.304848 H\n0.948858 0.212627 0.196754 H\n0.948857 0.712627 0.196754 H\n0.914291 0.014468 0.131740 H\n0.914291 0.514468 0.131740 H\n0.086192 0.618461 0.149327 C\n0.086192 0.118461 0.149327 C\n0.325802 0.504408 0.282523 C\n0.325803 0.004408 0.282524 C\n0.209570 0.258994 0.970947 C\n0.176492 0.373763 0.456839 C\n0.176489 0.873765 0.456839 C\n0.209567 0.758992 0.970947 C\n0.311559 0.714346 0.557726 O\n0.909879 0.921543 0.498377 O\n0.909878 0.421543 0.498377 O\n0.453410 0.369936 0.950319 O\n0.453412 0.869937 0.950318 O\n0.037454 0.267527 0.844349 O\n0.037455 0.767527 0.844349 O\n0.311557 0.214348 0.557725 O\n",
"nsites": 26,
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"elements": [
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"H",
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],
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"density": 2.162467923980651,
"density_atomic": 0.1084180259642761,
"volume": 239.8125198162807,
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"formula_full": "Ca2 H8 C8 O8",
"formula_reduced": "CaH4(CO)4",
"formula_anonymous": "AB4C4D4",
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{
"id": "jvasp-119148",
"created_at": "2022-09-04T14:38:50.090317Z",
"updated_at": "2022-09-04T14:38:50.090336Z",
"structure_string": "Sm4 Ti4 S4 O9\n1.0\n6.776292 -0.004445 6.268555\n5.772012 3.549934 6.268555\n0.023811 0.006728 12.773087\nSm Ti S O\n4 4 4 9\ndirect\n0.867376 0.867373 0.821586 Sm\n0.141569 0.141569 0.160030 Sm\n0.154904 0.154904 0.690369 Sm\n0.844512 0.844509 0.311733 Sm\n0.879204 0.879201 0.544590 Ti\n0.117802 0.117802 0.462954 Ti\n0.433549 0.433548 0.968730 Ti\n0.565425 0.565422 0.030734 Ti\n0.545277 0.545276 0.656296 S\n0.461245 0.461244 0.350906 S\n0.291857 0.291857 0.734657 S\n0.693511 0.693508 0.279157 S\n0.037534 0.037534 0.098841 O\n0.767328 0.767325 0.560239 O\n0.233788 0.233788 0.439126 O\n0.588511 0.588510 0.864754 O\n0.409089 0.409088 0.137638 O\n0.322476 0.322476 0.974551 O\n0.680240 0.680237 0.016525 O\n0.959721 0.959718 0.906369 O\n0.983590 0.983587 0.542815 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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],
"chemical_system": "O-S-Sm-Ti",
"density": 5.761073498161626,
"density_atomic": 0.0684002523632648,
"volume": 307.0164111160255,
"volume_molar": 8.804266873193972,
"formula_full": "Sm4 Ti4 S4 O9",
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{
"id": "jvasp-54576",
"created_at": "2022-09-04T14:38:36.105377Z",
"updated_at": "2022-09-04T14:38:36.105412Z",
"structure_string": "Tl2 Mo4 Cl14 O4\n1.0\n6.941581 0.000000 0.000000\n0.000000 8.845628 0.000000\n0.000000 0.000000 9.513037\nTl Mo Cl O\n2 4 14 4\ndirect\n0.500000 0.445737 0.000000 Tl\n0.000000 0.554263 0.500000 Tl\n0.000000 0.177643 0.815596 Mo\n0.500000 0.822357 0.684404 Mo\n0.500000 0.822357 0.315596 Mo\n0.000000 0.177643 0.184404 Mo\n0.761832 0.099442 0.000000 Cl\n0.741174 0.695448 0.194232 Cl\n0.741174 0.695448 0.805768 Cl\n0.238167 0.099442 0.000000 Cl\n0.758826 0.304552 0.694232 Cl\n0.241174 0.304552 0.694232 Cl\n0.000000 0.407636 0.000000 Cl\n0.261832 0.900559 0.500000 Cl\n0.241174 0.304552 0.305768 Cl\n0.258826 0.695448 0.194232 Cl\n0.758826 0.304552 0.305768 Cl\n0.500000 0.592365 0.500000 Cl\n0.738167 0.900559 0.500000 Cl\n0.258826 0.695448 0.805768 Cl\n0.500000 0.992125 0.240275 O\n0.500000 0.992125 0.759725 O\n0.000000 0.007875 0.740275 O\n0.000000 0.007875 0.259725 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cl-Mo-O-Tl",
"density": 3.8458973734333566,
"density_atomic": 0.04108705266965868,
"volume": 584.1256172098989,
"volume_molar": 14.657027868166207,
"formula_full": "Tl2 Mo4 Cl14 O4",
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{
"id": "jvasp-122464",
"created_at": "2022-09-04T14:38:50.386520Z",
"updated_at": "2022-09-04T14:38:50.386549Z",
"structure_string": "Sr7 Ca1 Ir2 O12\n1.0\n6.867260 0.013857 -0.100282\n-0.101959 6.866517 -0.100282\n0.013625 0.013857 6.867979\nSr Ca Ir O\n7 1 2 12\ndirect\n0.136001 0.864000 0.500000 Sr\n0.500001 0.136001 0.864000 Sr\n0.864000 0.500001 0.136001 Sr\n0.000000 0.365998 0.634003 Sr\n0.634003 0.000000 0.365998 Sr\n0.365997 0.634003 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500001 0.500000 Ca\n0.746400 0.746401 0.746400 Ir\n0.253600 0.253601 0.253600 Ir\n0.332407 0.200813 0.539872 O\n0.689941 0.823492 0.033678 O\n0.823491 0.033679 0.689941 O\n0.033678 0.689942 0.823491 O\n0.310059 0.966323 0.176509 O\n0.460128 0.799188 0.667594 O\n0.176510 0.310059 0.966322 O\n0.799188 0.667595 0.460128 O\n0.667594 0.460129 0.799188 O\n0.539872 0.332407 0.200813 O\n0.966322 0.176510 0.310059 O\n0.200813 0.539873 0.332406 O\n",
"nsites": 22,
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],
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"volume": 323.8825146570248,
"volume_molar": 8.865754968033484,
"formula_full": "Sr7 Ca1 Ir2 O12",
"formula_reduced": "Sr7Ca(IrO6)2",
"formula_anonymous": "AB2C7D12",
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"spacegroup": 155
},
{
"id": "jvasp-107779",
"created_at": "2022-09-04T14:38:49.385412Z",
"updated_at": "2022-09-04T14:38:49.385434Z",
"structure_string": "Ti1 Cr1 Ag1 S4\n1.0\n6.533161 -0.025085 2.832818\n5.621509 3.328883 2.832818\n-0.023709 -0.006444 5.952851\nTi Cr Ag S\n1 1 1 4\ndirect\n0.248054 0.248057 0.781975 Ti\n0.752208 0.752210 0.229526 Cr\n0.499114 0.499116 0.504638 Ag\n0.365959 0.365962 0.978874 S\n0.632693 0.632693 0.023397 S\n0.852322 0.852324 0.477016 S\n0.149643 0.149644 0.504577 S\n",
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],
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"volume": 130.5447190106669,
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"formula_full": "Ti1 Cr1 Ag1 S4",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 8
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{
"id": "jvasp-112023",
"created_at": "2022-09-04T14:38:42.420293Z",
"updated_at": "2022-09-04T14:38:42.420318Z",
"structure_string": "Sn1 H26 C14 O4\n1.0\n4.887379 -0.044503 0.094296\n-1.684175 7.224405 -2.188321\n0.245814 -0.152236 10.493322\nSn H C O\n1 26 14 4\ndirect\n0.442992 0.373752 0.801068 Sn\n0.618276 0.599398 0.384907 H\n0.829424 0.390502 0.614930 H\n0.560349 0.502702 0.591079 H\n0.325898 0.528847 0.054216 H\n0.098690 0.300220 -0.005277 H\n0.471176 0.710942 0.291312 H\n0.497253 0.253613 0.534758 H\n0.483555 0.984267 0.494293 H\n0.822414 0.945977 0.447440 H\n0.808816 0.783809 0.624866 H\n0.482987 0.844285 0.678416 H\n0.183468 0.246219 0.408666 H\n0.461335 0.328177 0.043075 H\n0.813127 0.399297 0.365798 H\n0.766468 0.057292 0.273563 H\n0.451439 0.064241 0.094794 H\n0.445298 0.827456 0.062035 H\n0.338008 0.931502 0.865000 H\n0.902757 0.115166 0.130589 H\n0.012543 0.967310 0.938599 H\n0.204565 0.913530 0.270128 H\n0.365647 0.290005 0.268465 H\n0.065005 0.723742 0.446545 H\n0.196492 0.593602 0.530920 H\n0.008440 0.460668 0.234568 H\n0.932370 0.788603 0.149496 H\n0.174359 0.887122 0.930530 C\n0.028932 0.435990 0.331644 C\n0.309297 0.925227 0.069774 C\n0.097002 0.918575 0.181455 C\n0.963693 0.088256 0.221393 C\n0.187346 0.616909 0.432743 C\n0.154971 0.266053 0.310818 C\n0.038796 0.682886 0.869804 C\n0.622361 0.888699 0.487988 C\n0.483352 0.696995 0.392435 C\n0.845330 0.073089 0.716814 C\n0.602950 0.380311 0.610354 C\n0.314129 0.382609 -0.001234 C\n0.680707 0.885440 0.630636 C\n0.107763 0.116615 0.693905 O\n0.182999 0.576733 0.793015 O\n0.784291 0.628198 0.900004 O\n0.722173 0.177781 0.807483 O\n",
"nsites": 45,
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"elements": [
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],
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"density": 1.7015840061278342,
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"volume": 367.96845449143973,
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"formula_full": "Sn1 H26 C14 O4",
"formula_reduced": "SnH26(C7O2)2",
"formula_anonymous": "AB4C14D26",
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},
{
"id": "jvasp-59225",
"created_at": "2022-09-04T14:38:35.848033Z",
"updated_at": "2022-09-04T14:38:35.848055Z",
"structure_string": "Li6 V2 P4 O16\n1.0\n0.000000 6.135118 0.012766\n5.424656 0.000000 0.000000\n0.000000 -0.064561 -8.178404\nLi V P O\n6 2 4 16\ndirect\n0.729308 0.750001 0.922234 Li\n0.500009 0.250000 0.749992 Li\n0.270666 0.750001 0.577768 Li\n0.729334 0.250000 0.422231 Li\n0.499991 0.750001 0.250007 Li\n0.270693 0.250000 0.077765 Li\n0.000001 0.250000 0.750001 V\n1.000000 0.750001 0.249998 V\n0.761655 0.250000 0.100667 P\n0.238361 0.250000 0.399332 P\n0.761639 0.750001 0.600668 P\n0.238346 0.750001 0.899332 P\n0.768751 0.479602 0.218732 O\n0.768751 0.020398 0.218732 O\n0.231254 0.479605 0.281267 O\n0.231254 0.020396 0.281267 O\n0.969136 0.750001 0.492866 O\n0.030845 0.750001 0.007128 O\n0.442185 0.250000 0.504200 O\n0.557838 0.250000 0.995789 O\n0.768746 0.979605 0.718732 O\n0.969156 0.250000 0.992872 O\n0.231249 0.979603 0.781267 O\n0.231249 0.520398 0.781267 O\n0.442163 0.750001 0.004210 O\n0.768746 0.520396 0.718732 O\n0.030864 0.250000 0.507133 O\n0.557816 0.750001 0.495799 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.193289216411068,
"density_atomic": 0.10287301819902556,
"volume": 272.18021294786143,
"volume_molar": 5.853955551638558,
"formula_full": "Li6 V2 P4 O16",
"formula_reduced": "Li3V(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.6208645142857145,
"spacegroup": 12
}
]
}