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=-volume&page=1123",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1121",
"results": [
{
"id": "jvasp-66576",
"created_at": "2022-09-04T14:35:51.985189Z",
"updated_at": "2022-09-04T14:35:51.985207Z",
"structure_string": "Ba4 Ta1 Ge1\n1.0\n0.000000 4.877587 4.877587\n4.877587 -0.000000 4.877587\n4.877587 4.877587 -0.000000\nBa Ta Ge\n4 1 1\ndirect\n0.125990 0.624670 0.624670 Ba\n0.624670 0.624670 0.624670 Ba\n0.624670 0.125990 0.624670 Ba\n0.624670 0.624670 0.125990 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Ge"
],
"chemical_system": "Ba-Ge-Ta",
"density": 5.744645816718798,
"density_atomic": 0.02585271634716652,
"volume": 232.08392957352063,
"volume_molar": 23.294034867094467,
"formula_full": "Ba4 Ta1 Ge1",
"formula_reduced": "Ba4TaGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3794831716666662,
"spacegroup": 216
},
{
"id": "jvasp-28452",
"created_at": "2022-09-04T14:36:17.224764Z",
"updated_at": "2022-09-04T14:36:17.224791Z",
"structure_string": "W3 S6\n1.0\n3.193283 0.000018 -0.000001\n1.596655 2.765456 -0.000001\n-0.000011 -0.000008 26.279856\nW S\n3 6\ndirect\n0.666668 0.666669 0.340274 W\n0.333331 0.333332 0.101856 W\n0.333330 0.333331 0.578691 W\n0.666667 0.666669 0.041960 S\n0.666666 0.666667 0.518747 S\n0.333335 0.333336 0.280338 S\n0.666668 0.666670 0.161800 S\n0.666667 0.666668 0.638589 S\n0.333335 0.333336 0.400211 S\n",
"nsites": 9,
"nelements": 2,
"elements": [
"W",
"S"
],
"chemical_system": "S-W",
"density": 5.322844321998501,
"density_atomic": 0.038780801421606524,
"volume": 232.07359492539254,
"volume_molar": 15.528665059110397,
"formula_full": "W3 S6",
"formula_reduced": "WS2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.229213333333333,
"spacegroup": 187
},
{
"id": "jvasp-58627",
"created_at": "2022-09-04T14:37:31.204512Z",
"updated_at": "2022-09-04T14:37:31.204542Z",
"structure_string": "Pr2 Ti4 O12\n1.0\n0.000000 5.442006 -0.000643\n7.734453 0.000000 0.000000\n0.000000 -0.000735 -5.512663\nPr Ti O\n2 4 12\ndirect\n0.990104 0.500000 0.043214 Pr\n0.490104 0.000000 0.456791 Pr\n0.994315 0.750763 0.514446 Ti\n0.994315 0.249237 0.514446 Ti\n0.494313 0.250766 0.985559 Ti\n0.494313 0.749233 0.985559 Ti\n0.232563 0.769530 0.231559 O\n0.283803 0.216666 0.716192 O\n0.283803 0.783334 0.716192 O\n0.438613 0.500000 0.992663 O\n0.539428 0.000000 0.008316 O\n0.783804 0.283331 0.783808 O\n0.732564 0.269531 0.268445 O\n0.232563 0.230469 0.231559 O\n0.783804 0.716669 0.783808 O\n0.938612 0.000000 0.507338 O\n0.732564 0.730469 0.268445 O\n0.039425 0.500000 0.491692 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pr",
"Ti",
"O"
],
"chemical_system": "O-Pr-Ti",
"density": 4.7610303212930205,
"density_atomic": 0.07757511592743706,
"volume": 232.03316920385927,
"volume_molar": 7.762980032969654,
"formula_full": "Pr2 Ti4 O12",
"formula_reduced": "PrTi2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.7889697240740743,
"spacegroup": 31
},
{
"id": "jvasp-107627",
"created_at": "2022-09-04T14:36:53.396465Z",
"updated_at": "2022-09-04T14:36:53.396484Z",
"structure_string": "K2 Rb1 Nd1 F6\n1.0\n5.973235 -0.000000 3.448649\n1.991078 5.631620 3.448649\n-0.000000 -0.000000 6.897297\nK Rb Nd F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.767777 0.232223 0.232223 F\n0.232222 0.232223 0.767778 F\n0.232223 0.767777 0.767778 F\n0.232223 0.767777 0.232223 F\n0.767777 0.232223 0.767778 F\n0.767777 0.767777 0.232223 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Nd",
"F"
],
"chemical_system": "F-K-Nd-Rb",
"density": 3.0194891789632887,
"density_atomic": 0.0431000852288428,
"volume": 232.01810267669603,
"volume_molar": 13.972456731871963,
"formula_full": "K2 Rb1 Nd1 F6",
"formula_reduced": "K2RbNdF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-44375",
"created_at": "2022-09-04T14:38:10.556725Z",
"updated_at": "2022-09-04T14:38:10.556760Z",
"structure_string": "Li4 Ni4 Sb2 O12\n1.0\n5.184858 0.050727 -0.000000\n-2.561721 4.508094 -0.000000\n0.000000 0.000000 9.871310\nLi Ni Sb O\n4 4 2 12\ndirect\n0.136231 0.636230 0.750000 Li\n0.363769 0.863769 0.250000 Li\n0.636231 0.136231 0.750000 Li\n0.863770 0.363770 0.250000 Li\n0.164834 0.835165 0.500000 Ni\n0.335166 0.664834 0.000000 Ni\n0.664835 0.335166 0.000000 Ni\n0.835166 0.164835 0.500000 Ni\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.525681 0.180666 0.389118 O\n0.834876 0.834875 0.400467 O\n0.319334 0.974318 0.889118 O\n0.665125 0.665124 0.900467 O\n0.334876 0.334876 0.099532 O\n0.025681 0.680665 0.110882 O\n0.474319 0.819334 0.610882 O\n0.180666 0.525681 0.389118 O\n0.974320 0.319335 0.889118 O\n0.819335 0.474319 0.610882 O\n0.165125 0.165124 0.599533 O\n0.680666 0.025681 0.110882 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Sb",
"O"
],
"chemical_system": "Li-Ni-O-Sb",
"density": 4.9960117805323865,
"density_atomic": 0.09482225011408843,
"volume": 232.01305572827047,
"volume_molar": 6.350978544333496,
"formula_full": "Li4 Ni4 Sb2 O12",
"formula_reduced": "Li2Ni2SbO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.0163410818181813,
"spacegroup": 64
},
{
"id": "jvasp-12616",
"created_at": "2022-09-04T14:37:07.664977Z",
"updated_at": "2022-09-04T14:37:07.664994Z",
"structure_string": "Ba2 Nd2 Co4 O11\n1.0\n3.830185 0.000000 0.000000\n0.000000 7.585376 0.000000\n0.000000 0.000000 7.984018\nBa Nd Co O\n2 2 4 11\ndirect\n0.500001 0.000000 0.752719 Ba\n0.500001 0.000000 0.247282 Ba\n0.500001 0.500000 0.268450 Nd\n0.500001 0.500000 0.731550 Nd\n0.000000 0.254162 0.000000 Co\n0.000000 0.745839 0.000000 Co\n0.000000 0.751921 0.500000 Co\n0.000000 0.248079 0.500000 Co\n0.000000 0.000000 0.000000 O\n0.500001 0.695221 0.000000 O\n0.500001 0.304780 0.000000 O\n0.500001 0.732916 0.500000 O\n0.000000 0.711579 0.235271 O\n0.000000 0.711579 0.764730 O\n0.000000 0.288421 0.235271 O\n0.000000 0.500000 0.500000 O\n0.000000 0.288421 0.764730 O\n0.500001 0.267085 0.500000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nd-O",
"density": 6.978704974278444,
"density_atomic": 0.08190967998749013,
"volume": 231.9628156635678,
"volume_molar": 7.352172247431253,
"formula_full": "Ba2 Nd2 Co4 O11",
"formula_reduced": "Ba2Nd2Co4O11",
"formula_anonymous": "A2B2C4D11",
"energy_above_hull": 2.7011519494736844,
"spacegroup": 47
},
{
"id": "jvasp-111098",
"created_at": "2022-09-04T14:38:48.789831Z",
"updated_at": "2022-09-04T14:38:48.789859Z",
"structure_string": "Ca1 Pb3 Se4\n1.0\n7.530061 0.001886 0.000000\n-2.500022 7.102936 0.000000\n0.000000 -0.000000 4.336282\nCa Pb Se\n1 3 4\ndirect\n0.500000 0.500001 -0.000000 Ca\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.255484 0.744517 -0.000000 Se\n0.744517 0.255484 -0.000000 Se\n0.739543 0.739543 0.500000 Se\n0.260458 0.260458 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"Se"
],
"chemical_system": "Ca-Pb-Se",
"density": 6.998124479779354,
"density_atomic": 0.03449036493469952,
"volume": 231.9488360052545,
"volume_molar": 17.460356744272485,
"formula_full": "Ca1 Pb3 Se4",
"formula_reduced": "CaPb3Se4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.7313370433333333,
"spacegroup": 65
},
{
"id": "jvasp-63905",
"created_at": "2022-09-04T14:36:18.810778Z",
"updated_at": "2022-09-04T14:36:18.810801Z",
"structure_string": "Ba4 Na1 Os1\n1.0\n-0.000000 4.876557 4.876557\n4.876557 0.000000 4.876557\n4.876557 4.876557 0.000000\nBa Na Os\n4 1 1\ndirect\n0.119814 0.626729 0.626729 Ba\n0.626729 0.626729 0.626729 Ba\n0.626729 0.119814 0.626729 Ba\n0.626729 0.626729 0.119814 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Os"
],
"chemical_system": "Ba-Na-Os",
"density": 5.4592734893006885,
"density_atomic": 0.025869101220255448,
"volume": 231.93693313558236,
"volume_molar": 23.279280979753086,
"formula_full": "Ba4 Na1 Os1",
"formula_reduced": "Ba4NaOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9722796466666668,
"spacegroup": 216
},
{
"id": "jvasp-109601",
"created_at": "2022-09-04T14:38:26.827351Z",
"updated_at": "2022-09-04T14:38:26.827385Z",
"structure_string": "Tb6 Mg2\n1.0\n6.975454 -0.000000 0.000000\n-3.487727 6.040920 0.000000\n-0.000000 -0.000000 5.504032\nTb Mg\n6 2\ndirect\n0.170134 0.340269 0.250000 Tb\n0.659730 0.829866 0.250000 Tb\n0.170134 0.829866 0.250000 Tb\n0.829865 0.170134 0.750000 Tb\n0.340269 0.170134 0.750000 Tb\n0.829865 0.659731 0.750000 Tb\n0.666666 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 7.175142955684954,
"density_atomic": 0.034493198948305534,
"volume": 231.9297787366572,
"volume_molar": 17.458922174847558,
"formula_full": "Tb6 Mg2",
"formula_reduced": "Tb3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9586314333333334,
"spacegroup": 194
},
{
"id": "jvasp-112661",
"created_at": "2022-09-04T14:38:43.060122Z",
"updated_at": "2022-09-04T14:38:43.060156Z",
"structure_string": "Na2 Pr2 Ti4 O12\n1.0\n5.442199 0.000000 0.000000\n0.000000 5.518242 0.000000\n-0.000000 0.000000 7.722368\nNa Pr Ti O\n2 2 4 12\ndirect\n0.499918 0.773439 0.500000 Na\n0.999919 0.226561 -0.000000 Na\n0.010462 0.293081 0.500000 Pr\n0.510462 0.706918 -0.000000 Pr\n0.511072 0.240886 0.752193 Ti\n0.011072 0.759114 0.252192 Ti\n0.511072 0.240886 0.247808 Ti\n0.011072 0.759114 0.747808 Ti\n0.930935 0.738256 0.500000 O\n0.566937 0.236176 0.500000 O\n0.208071 0.038852 0.713968 O\n0.276732 0.534066 0.284373 O\n0.776732 0.465934 0.215627 O\n0.208071 0.038852 0.286032 O\n0.776732 0.465934 0.784373 O\n0.708071 0.961148 0.213968 O\n0.430935 0.261744 -0.000000 O\n0.276732 0.534066 0.715627 O\n0.708071 0.961148 0.786033 O\n0.066937 0.763824 -0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Pr",
"Ti",
"O"
],
"chemical_system": "Na-O-Pr-Ti",
"density": 5.092712572243493,
"density_atomic": 0.08623912502953994,
"volume": 231.91329913365072,
"volume_molar": 6.983072657494154,
"formula_full": "Na2 Pr2 Ti4 O12",
"formula_reduced": "NaPrTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.443104651666667,
"spacegroup": 31
},
{
"id": "jvasp-64030",
"created_at": "2022-09-04T14:36:07.643951Z",
"updated_at": "2022-09-04T14:36:07.643979Z",
"structure_string": "Ba4 Be1 Fe1\n1.0\n-0.000000 4.876316 4.876316\n4.876316 0.000000 4.876316\n4.876316 4.876316 0.000000\nBa Be Fe\n4 1 1\ndirect\n0.124303 0.625233 0.625233 Ba\n0.625233 0.625233 0.625233 Ba\n0.625233 0.124303 0.625233 Ba\n0.625233 0.625233 0.124303 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Fe"
],
"chemical_system": "Ba-Be-Fe",
"density": 4.397732098209163,
"density_atomic": 0.025872936961123215,
"volume": 231.90254778634625,
"volume_molar": 23.275829756200057,
"formula_full": "Ba4 Be1 Fe1",
"formula_reduced": "Ba4BeFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0257525799999998,
"spacegroup": 216
},
{
"id": "jvasp-55401",
"created_at": "2022-09-04T14:38:29.616509Z",
"updated_at": "2022-09-04T14:38:29.616534Z",
"structure_string": "Mn6 B4 O12\n1.0\n4.669829 -0.000000 0.000000\n-0.000000 5.684841 0.000000\n0.000000 0.000000 8.735194\nMn B O\n6 4 12\ndirect\n0.000000 0.500000 0.810696 Mn\n0.500000 0.000000 0.689303 Mn\n0.000000 0.500000 0.189303 Mn\n0.500000 0.000000 0.310696 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.037599 0.241916 0.500000 B\n0.462401 0.741916 0.000000 B\n0.962402 0.758084 0.500000 B\n0.537599 0.258084 0.000000 B\n0.749041 0.682008 0.000000 O\n0.249041 0.817992 0.500000 O\n0.750960 0.182008 0.500000 O\n0.250959 0.317992 0.000000 O\n0.188280 0.286734 0.635350 O\n0.311720 0.786734 0.135351 O\n0.688280 0.213266 0.864649 O\n0.311720 0.786734 0.864649 O\n0.811721 0.713266 0.364649 O\n0.688280 0.213266 0.135351 O\n0.811721 0.713266 0.635350 O\n0.188280 0.286734 0.364649 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mn",
"B",
"O"
],
"chemical_system": "B-Mn-O",
"density": 4.044845730285653,
"density_atomic": 0.09487042058929691,
"volume": 231.89525105238118,
"volume_molar": 6.347753833695354,
"formula_full": "Mn6 B4 O12",
"formula_reduced": "Mn3(BO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 3.7981534446186,
"spacegroup": 58
}
]
}