HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=705",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=703",
"results": [
{
"id": "jvasp-36051",
"created_at": "2022-09-04T14:38:13.859222Z",
"updated_at": "2022-09-04T14:38:13.859250Z",
"structure_string": "Sm12 Ga2 Co4\n1.0\n-4.662534 -4.864429 -4.989846\n-4.662534 4.864429 4.989846\n4.662534 4.864429 -4.989846\nSm Ga Co\n12 2 4\ndirect\n0.738251 0.303821 0.042073 Sm\n0.261749 0.696178 0.957928 Sm\n0.219379 0.038506 0.819128 Sm\n0.780622 0.599749 0.819128 Sm\n0.486901 0.812535 0.674366 Sm\n0.261749 0.303822 0.565572 Sm\n0.861830 0.187463 0.674367 Sm\n0.138170 0.812535 0.325634 Sm\n0.513097 0.187463 0.325634 Sm\n0.219378 0.400250 0.180872 Sm\n0.780621 0.961494 0.180872 Sm\n0.738251 0.696179 0.434428 Sm\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.163737 0.663739 Co\n0.113250 0.000000 0.113250 Co\n0.500000 0.836263 0.336263 Co\n0.886751 0.000000 0.886751 Co\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Sm",
"density": 7.994746790838177,
"density_atomic": 0.03976229936541782,
"volume": 452.69011820918513,
"volume_molar": 15.145353402870843,
"formula_full": "Sm12 Ga2 Co4",
"formula_reduced": "Sm6GaCo2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.9829085972222225,
"spacegroup": 71
},
{
"id": "jvasp-10219",
"created_at": "2022-09-04T14:38:12.383079Z",
"updated_at": "2022-09-04T14:38:12.383105Z",
"structure_string": "Zr2 P4 S12\n1.0\n6.724926 -0.000000 0.000000\n0.000000 6.724926 0.000000\n0.000000 0.000000 9.558102\nZr P S\n2 4 12\ndirect\n0.000000 0.000000 0.750000 Zr\n0.000000 0.000000 0.250000 Zr\n0.657268 0.059192 0.000000 P\n0.342733 0.940808 0.000000 P\n0.059192 0.342733 0.500000 P\n0.940808 0.657268 0.500000 P\n0.784929 0.692380 0.320565 S\n0.307620 0.784929 0.820565 S\n0.692380 0.215071 0.820565 S\n0.215071 0.307620 0.320565 S\n0.841356 0.816324 0.000000 S\n0.158644 0.183676 0.000000 S\n0.816324 0.158644 0.500000 S\n0.784929 0.692380 0.679435 S\n0.692380 0.215071 0.179435 S\n0.215071 0.307620 0.679435 S\n0.183676 0.841356 0.500000 S\n0.307620 0.784929 0.179435 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"P",
"S"
],
"chemical_system": "P-S-Zr",
"density": 2.654958845004864,
"density_atomic": 0.04164144817794139,
"volume": 432.2616236371695,
"volume_molar": 14.461890792717655,
"formula_full": "Zr2 P4 S12",
"formula_reduced": "Zr(PS3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.764638388888889,
"spacegroup": 84
},
{
"id": "jvasp-30233",
"created_at": "2022-09-04T14:38:07.876341Z",
"updated_at": "2022-09-04T14:38:07.876359Z",
"structure_string": "Mn2 C4 O12\n1.0\n4.216599 0.000000 4.303042\n0.000000 7.561963 0.000000\n-2.203642 0.000000 4.318680\nMn C O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.122724 0.271280 0.773863 C\n0.377277 0.771280 0.726136 C\n0.622724 0.228720 0.273863 C\n0.877276 0.728719 0.226136 C\n0.803161 0.579424 0.353125 O\n0.696839 0.079425 0.146874 O\n0.552386 0.356500 0.147100 O\n0.609714 0.260819 0.541138 O\n0.390287 0.739180 0.458861 O\n0.196839 0.420575 0.646874 O\n0.303161 0.920575 0.853125 O\n0.947614 0.856500 0.352900 O\n0.052386 0.143500 0.647100 O\n0.109714 0.239180 0.041139 O\n0.447615 0.643499 0.852900 O\n0.890287 0.760819 0.958860 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"C",
"O"
],
"chemical_system": "C-Mn-O",
"density": 2.7746662085662437,
"density_atomic": 0.0859559017773786,
"volume": 209.40970460200722,
"volume_molar": 7.00608176457393,
"formula_full": "Mn2 C4 O12",
"formula_reduced": "Mn(CO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.9143686934865904,
"spacegroup": 14
},
{
"id": "jvasp-26735",
"created_at": "2022-09-04T14:38:29.080775Z",
"updated_at": "2022-09-04T14:38:29.080796Z",
"structure_string": "Al2 S2 Cl14\n1.0\n0.000000 6.577717 -0.111652\n6.256506 0.000000 0.000000\n0.000000 -2.806451 -11.883786\nAl S Cl\n2 2 14\ndirect\n0.540727 0.495698 0.145811 Al\n0.540727 0.504303 0.645811 Al\n0.882893 0.084938 0.305726 S\n0.882893 0.915062 0.805726 S\n0.815606 0.879244 0.421703 Cl\n0.517631 0.623673 0.809006 Cl\n0.852693 0.575638 0.623373 Cl\n0.502462 0.838273 0.136314 Cl\n0.852693 0.424362 0.123373 Cl\n0.502462 0.161728 0.636314 Cl\n0.106791 0.926392 0.245483 Cl\n0.517631 0.376328 0.309006 Cl\n0.057856 0.305321 0.405952 Cl\n0.315045 0.336795 0.018734 Cl\n0.815606 0.120757 0.921703 Cl\n0.057856 0.694679 0.905952 Cl\n0.315045 0.663206 0.518734 Cl\n0.106792 0.073609 0.745484 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"S",
"Cl"
],
"chemical_system": "Al-Cl-S",
"density": 2.077905479127682,
"density_atomic": 0.03665837376462161,
"volume": 491.02014496266344,
"volume_molar": 16.42773571644869,
"formula_full": "Al2 S2 Cl14",
"formula_reduced": "AlSCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.4694790302777779,
"spacegroup": 7
},
{
"id": "jvasp-5653",
"created_at": "2022-09-04T14:38:07.341064Z",
"updated_at": "2022-09-04T14:38:07.341083Z",
"structure_string": "Al2 Te2 I14\n1.0\n0.000000 7.769011 -0.242164\n7.404501 0.000000 0.000000\n0.000000 -3.718428 -13.941911\nAl Te I\n2 2 14\ndirect\n0.694303 0.998598 0.349867 Al\n0.694303 0.001402 0.849867 Al\n0.002646 0.598360 0.492573 Te\n0.002646 0.401640 0.992573 Te\n0.469732 0.821527 0.224844 I\n0.469731 0.178473 0.724844 I\n0.651885 0.339871 0.327672 I\n0.651884 0.660128 0.827672 I\n0.666221 0.883161 0.513625 I\n0.666221 0.116839 0.013625 I\n0.008904 0.067768 0.827557 I\n0.950791 0.634565 0.134027 I\n0.217275 0.844849 0.612439 I\n0.217275 0.155151 0.112439 I\n0.276142 0.423031 0.432874 I\n0.950790 0.365434 0.634027 I\n0.276142 0.576969 0.932874 I\n0.008904 0.932232 0.327557 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"Te",
"I"
],
"chemical_system": "Al-I-Te",
"density": 4.282996376835354,
"density_atomic": 0.022258357287127297,
"volume": 808.6850151520374,
"volume_molar": 27.055638843046125,
"formula_full": "Al2 Te2 I14",
"formula_reduced": "AlTeI7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0072082768518518,
"spacegroup": 7
},
{
"id": "jvasp-21994",
"created_at": "2022-09-04T14:38:12.665476Z",
"updated_at": "2022-09-04T14:38:12.665498Z",
"structure_string": "K4 Ge2 F12\n1.0\n2.864517 -4.961488 0.000000\n2.864517 4.961488 -0.000000\n0.000000 -0.000000 9.284089\nK Ge F\n4 2 12\ndirect\n0.000000 0.000000 0.098520 K\n0.000000 0.000000 0.598520 K\n0.666668 0.333334 0.373575 K\n0.333334 0.666668 0.873575 K\n0.666668 0.333334 0.757371 Ge\n0.333334 0.666668 0.257371 Ge\n0.178910 0.357818 0.365790 F\n0.821091 0.642183 0.865790 F\n0.357818 0.178910 0.865790 F\n0.178910 0.821091 0.365790 F\n0.483429 0.516573 0.141055 F\n0.483429 0.966857 0.141055 F\n0.516572 0.033144 0.641055 F\n0.642183 0.821091 0.365790 F\n0.033144 0.516572 0.141055 F\n0.516573 0.483429 0.641055 F\n0.966857 0.483429 0.641055 F\n0.821091 0.178910 0.865790 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Ge",
"F"
],
"chemical_system": "F-Ge-K",
"density": 3.3327961075928894,
"density_atomic": 0.06820871456652486,
"volume": 263.89589826450054,
"volume_molar": 8.828990251863678,
"formula_full": "K4 Ge2 F12",
"formula_reduced": "K2GeF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0006933333333333,
"spacegroup": 186
},
{
"id": "jvasp-31842",
"created_at": "2022-09-04T14:38:07.382936Z",
"updated_at": "2022-09-04T14:38:07.382946Z",
"structure_string": "Ti2 S2 Cl12 O2\n1.0\n6.135858 0.030862 -0.160616\n-2.965276 6.602183 -2.308994\n-0.025999 0.049465 10.771080\nTi S Cl O\n2 2 12 2\ndirect\n0.928971 0.761349 0.854321 Ti\n0.071028 0.238651 0.145679 Ti\n0.363227 0.013561 0.304197 S\n0.636772 0.986439 0.695803 S\n0.181388 0.672759 0.941732 Cl\n0.956926 0.188159 0.668426 Cl\n0.818611 0.327241 0.058268 Cl\n0.207698 0.118356 0.934734 Cl\n0.041461 0.724559 0.655246 Cl\n0.403793 0.522343 0.195831 Cl\n0.545576 0.767284 0.507403 Cl\n0.792302 0.881644 0.065266 Cl\n0.454423 0.232716 0.492597 Cl\n0.043073 0.811840 0.331573 Cl\n0.596206 0.477657 0.804169 Cl\n0.958539 0.275441 0.344754 Cl\n0.693437 0.896848 0.788563 O\n0.306563 0.103152 0.211437 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"S",
"Cl",
"O"
],
"chemical_system": "Cl-O-S-Ti",
"density": 2.340179546943284,
"density_atomic": 0.041093880552536696,
"volume": 438.02142211874593,
"volume_molar": 14.654592554969254,
"formula_full": "Ti2 S2 Cl12 O2",
"formula_reduced": "TiSCl6O",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.0193351375925928,
"spacegroup": 2
},
{
"id": "jvasp-36864",
"created_at": "2022-09-04T14:38:12.845055Z",
"updated_at": "2022-09-04T14:38:12.845077Z",
"structure_string": "Co6 O4 F8\n1.0\n0.000000 4.688441 -0.001722\n2.902761 0.000000 0.000000\n0.000000 -0.004639 -13.779314\nCo O F\n6 4 8\ndirect\n0.073186 0.000000 0.008706 Co\n0.926813 0.000000 0.324627 Co\n0.000000 0.000000 0.666666 Co\n0.499999 0.500000 0.166667 Co\n0.426809 0.500000 0.508705 Co\n0.573191 0.500000 0.824628 Co\n0.232971 0.500000 0.069329 O\n0.267027 0.000000 0.569329 O\n0.767030 0.500000 0.264005 O\n0.732972 0.000000 0.764005 O\n0.119939 0.500000 0.399641 F\n0.880059 0.500000 0.933692 F\n0.782571 0.500000 0.596724 F\n0.717430 0.000000 0.096727 F\n0.619936 0.000000 0.433688 F\n0.282570 0.000000 0.236607 F\n0.380063 0.000000 0.899645 F\n0.217428 0.500000 0.736609 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.043586691431441,
"density_atomic": 0.09598538692298621,
"volume": 187.5285455112275,
"volume_molar": 6.2740183199259905,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.6760445366666668,
"spacegroup": 58
},
{
"id": "jvasp-117398",
"created_at": "2022-09-04T14:38:26.478311Z",
"updated_at": "2022-09-04T14:38:26.478332Z",
"structure_string": "Co6 O4 F8\n1.0\n4.484015 -0.000277 -0.000545\n0.000590 9.119183 -0.052996\n0.000569 0.037629 4.488073\nCo O F\n6 4 8\ndirect\n0.032887 0.659001 0.038013 Co\n0.532886 0.507665 0.461985 Co\n-0.000009 0.333329 -0.000028 Co\n0.499992 0.833337 0.500026 Co\n0.967113 0.007663 0.962002 Co\n0.467113 0.159003 0.537992 Co\n0.164993 0.167342 0.807179 O\n0.664995 0.999324 0.692818 O\n0.834999 0.499320 0.192788 O\n0.335000 0.667345 0.307211 O\n0.699614 0.339582 0.692184 F\n0.764060 0.169932 0.216626 F\n0.264058 -0.003266 0.283371 F\n0.735939 0.669944 0.716646 F\n0.235937 0.496722 0.783352 F\n0.800409 0.839584 0.192260 F\n0.300409 0.327081 0.307735 F\n0.199614 0.827083 0.807816 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.153506242565723,
"density_atomic": 0.0980772852666688,
"volume": 183.52873400868114,
"volume_molar": 6.140199276138205,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.6758878700000002,
"spacegroup": 14
},
{
"id": "jvasp-9241",
"created_at": "2022-09-04T14:38:13.826337Z",
"updated_at": "2022-09-04T14:38:13.826358Z",
"structure_string": "Mg2 Cr4 O12\n1.0\n4.878857 -0.033230 0.045162\n-0.060193 5.130487 -0.007230\n0.059488 -0.011045 7.271858\nMg Cr O\n2 4 12\ndirect\n0.533303 0.570623 0.259492 Mg\n0.028766 0.923556 0.759060 Mg\n0.512044 0.006996 0.023344 Cr\n0.027244 0.481809 0.011629 Cr\n0.012028 0.479630 0.522014 Cr\n0.529497 0.006000 0.513419 Cr\n0.627306 0.028353 0.740440 O\n0.127802 0.474947 0.240291 O\n0.679237 0.317817 0.058269 O\n0.178652 0.197687 0.935455 O\n0.783426 0.793310 0.433484 O\n0.789018 0.803637 0.046701 O\n0.281156 0.717939 0.934248 O\n0.381855 0.969275 0.240032 O\n0.177777 0.186961 0.559554 O\n0.681548 0.306131 0.436395 O\n0.288495 0.705177 0.546231 O\n0.883039 0.530225 0.739832 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 4.093005469354306,
"density_atomic": 0.09890513848267447,
"volume": 181.99256657583183,
"volume_molar": 6.0888047399629475,
"formula_full": "Mg2 Cr4 O12",
"formula_reduced": "MgCr2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.8224138722222234,
"spacegroup": 7
},
{
"id": "jvasp-21720",
"created_at": "2022-09-04T14:38:28.754649Z",
"updated_at": "2022-09-04T14:38:28.754681Z",
"structure_string": "Tm10 Si4 Sb4\n1.0\n6.855268 -0.000000 -3.584997\n0.000000 7.758515 0.000000\n0.018324 -0.000000 8.381896\nTm Si Sb\n10 4 4\ndirect\n0.538919 0.835719 0.749018 Tm\n0.038919 0.664280 0.749018 Tm\n0.789902 0.835719 0.250982 Tm\n0.461080 0.164280 0.250982 Tm\n0.710098 0.335720 0.749018 Tm\n0.961081 0.335720 0.250982 Tm\n0.210098 0.164280 0.749018 Tm\n0.289902 0.664280 0.250982 Tm\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 -0.000000 Tm\n0.364372 0.865366 -0.000000 Si\n0.864372 0.634633 -0.000000 Si\n0.135628 0.365366 -0.000000 Si\n0.635628 0.134634 -0.000000 Si\n0.794547 0.000000 0.589095 Sb\n0.705453 0.500000 0.410905 Sb\n0.205453 0.000000 0.410905 Sb\n0.294547 0.500000 0.589095 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tm",
"Si",
"Sb"
],
"chemical_system": "Sb-Si-Tm",
"density": 8.51532063427269,
"density_atomic": 0.04033025522338812,
"volume": 446.31505306124444,
"volume_molar": 14.932067071342685,
"formula_full": "Tm10 Si4 Sb4",
"formula_reduced": "Tm5(SiSb)2",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.033550072222222,
"spacegroup": 64
},
{
"id": "jvasp-44688",
"created_at": "2022-09-04T14:38:07.587016Z",
"updated_at": "2022-09-04T14:38:07.587042Z",
"structure_string": "V4 Co2 O12\n1.0\n6.655110 -0.029646 -0.100136\n-0.711790 6.617002 0.100136\n-1.447066 1.305588 5.433424\nV Co O\n4 2 12\ndirect\n0.202490 0.609708 0.760995 V\n0.390292 0.797509 0.260995 V\n0.609708 0.202490 0.739004 V\n0.797509 0.390291 0.239004 V\n0.082236 0.082237 0.749999 Co\n0.917763 0.917762 0.250000 Co\n0.807405 0.029443 0.858663 O\n0.621739 0.344376 0.434897 O\n0.628558 0.915432 0.271317 O\n0.655623 0.378261 0.934896 O\n0.344376 0.621739 0.065103 O\n0.192594 0.970557 0.141336 O\n0.378261 0.655624 0.565102 O\n0.915432 0.628558 0.228683 O\n0.084567 0.371441 0.771316 O\n0.029443 0.807406 0.641336 O\n0.371441 0.084567 0.728682 O\n0.970557 0.192594 0.358663 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"Co",
"O"
],
"chemical_system": "Co-O-V",
"density": 3.5922725707064074,
"density_atomic": 0.07581347000874822,
"volume": 237.4248269855338,
"volume_molar": 7.943365155697395,
"formula_full": "V4 Co2 O12",
"formula_reduced": "V2CoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2464500333333337,
"spacegroup": 15
}
]
}