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=nelements&page=556",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=554",
"results": [
{
"id": "jvasp-118601",
"created_at": "2022-09-04T14:38:45.846645Z",
"updated_at": "2022-09-04T14:38:45.846670Z",
"structure_string": "Li1 Ag2\n1.0\n4.515937 0.000000 -1.668317\n0.000000 2.734905 0.000000\n-0.811817 0.000000 4.744695\nLi Ag\n1 2\ndirect\n0.083382 0.000000 0.411181 Li\n-0.249978 0.000000 -0.255551 Ag\n0.416606 0.000000 0.077775 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Ag"
],
"chemical_system": "Ag-Li",
"density": 6.735723000763525,
"density_atomic": 0.05464875022564311,
"volume": 54.896040396405894,
"volume_molar": 11.019722747793416,
"formula_full": "Li1 Ag2",
"formula_reduced": "LiAg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0971111111111111,
"spacegroup": 191
},
{
"id": "jvasp-118618",
"created_at": "2022-09-04T14:38:45.973162Z",
"updated_at": "2022-09-04T14:38:45.973192Z",
"structure_string": "Li1 O2\n1.0\n3.791972 0.000000 0.015557\n0.000000 2.612632 0.000000\n-0.011935 0.000000 2.927082\nLi O\n1 2\ndirect\n0.466670 0.000000 0.133353 Li\n-0.208454 0.000000 -0.366689 O\n0.141784 0.000000 -0.366663 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.22975576998675,
"density_atomic": 0.10345124868583906,
"volume": 28.99916664235156,
"volume_molar": 5.821235448097923,
"formula_full": "Li1 O2",
"formula_reduced": "LiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.315079,
"spacegroup": 47
},
{
"id": "jvasp-20792",
"created_at": "2022-09-04T14:38:33.307412Z",
"updated_at": "2022-09-04T14:38:33.307429Z",
"structure_string": "Pr6 F18\n1.0\n3.555241 -6.157857 0.000000\n3.555241 6.157857 -0.000000\n0.000000 0.000000 7.304762\nPr F\n6 18\ndirect\n0.343471 -0.000000 0.750000 Pr\n0.656529 0.656529 0.750000 Pr\n-0.000000 0.343471 0.750000 Pr\n0.656529 -0.000000 0.250000 Pr\n0.343471 0.343471 0.250000 Pr\n-0.000000 0.656529 0.250000 Pr\n0.940092 0.629690 0.581296 F\n0.629690 0.940092 0.918704 F\n0.310402 0.370310 0.918704 F\n0.059908 0.689598 0.918704 F\n0.629690 0.689598 0.418704 F\n0.310402 0.940092 0.418704 F\n0.059908 0.370310 0.418704 F\n0.370310 0.059908 0.081296 F\n0.333333 0.666667 0.179750 F\n0.940092 0.310402 0.081296 F\n0.689598 0.059908 0.581296 F\n0.666667 0.333333 0.320250 F\n0.666667 0.333333 0.820250 F\n0.333333 0.666667 0.679750 F\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n0.689598 0.629690 0.081296 F\n0.370310 0.310402 0.581296 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Pr",
"F"
],
"chemical_system": "F-Pr",
"density": 6.164781752943587,
"density_atomic": 0.07503718452330135,
"volume": 319.8414246545626,
"volume_molar": 8.025542000619629,
"formula_full": "Pr6 F18",
"formula_reduced": "PrF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 165
},
{
"id": "jvasp-117175",
"created_at": "2022-09-04T14:38:45.906081Z",
"updated_at": "2022-09-04T14:38:45.906113Z",
"structure_string": "Tb6 Ge8\n1.0\n5.728699 0.006592 0.000000\n-4.275085 3.813356 0.000000\n0.000000 -0.000000 14.324824\nTb Ge\n6 8\ndirect\n0.669560 0.330440 0.096579 Tb\n0.330441 0.669560 0.903421 Tb\n0.330441 0.669560 0.596579 Tb\n0.669560 0.330440 0.403421 Tb\n0.953867 0.046132 0.250000 Tb\n0.046134 0.953868 0.750000 Tb\n0.379897 0.620105 0.109110 Ge\n0.620105 0.379896 0.890889 Ge\n0.620105 0.379896 0.609110 Ge\n0.379897 0.620105 0.390889 Ge\n0.224899 0.775103 0.250000 Ge\n0.775102 0.224898 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tb",
"Ge"
],
"chemical_system": "Ge-Tb",
"density": 8.133025895111812,
"density_atomic": 0.044680239815931895,
"volume": 313.33761988913807,
"volume_molar": 13.47830894554118,
"formula_full": "Tb6 Ge8",
"formula_reduced": "Tb3Ge4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.103009857142857,
"spacegroup": 63
},
{
"id": "jvasp-117517",
"created_at": "2022-09-04T14:38:45.820741Z",
"updated_at": "2022-09-04T14:38:45.820770Z",
"structure_string": "B2 Te2\n1.0\n4.098450 -0.943230 1.300465\n3.450755 -8.527731 0.272578\n-1.531051 2.660189 -3.154930\nB Te\n2 2\ndirect\n0.721735 0.099042 0.056452 B\n-0.058536 0.025126 -0.235020 B\n0.600262 0.830880 0.917835 Te\n0.062929 0.293290 0.903602 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Te"
],
"chemical_system": "B-Te",
"density": 4.97602302035592,
"density_atomic": 0.04330047621061825,
"volume": 92.37773692242004,
"volume_molar": 13.90779337092657,
"formula_full": "B2 Te2",
"formula_reduced": "BTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.935870175,
"spacegroup": 12
},
{
"id": "jvasp-115239",
"created_at": "2022-09-04T14:38:45.824062Z",
"updated_at": "2022-09-04T14:38:45.824104Z",
"structure_string": "Mg3 O1\n1.0\n4.247901 0.137842 1.300610\n4.028310 -3.046686 2.070410\n-0.412542 0.206328 -5.527445\nMg O\n3 1\ndirect\n-0.058753 0.153503 0.142152 Mg\n-0.029929 0.474601 0.810166 Mg\n0.947733 0.814661 0.465403 Mg\n0.711435 0.980429 0.806990 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 2.0472401173856216,
"density_atomic": 0.05546353868743734,
"volume": 72.1194517093806,
"volume_molar": 10.857837243197814,
"formula_full": "Mg3 O1",
"formula_reduced": "Mg3O",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1568770249999999,
"spacegroup": 1
},
{
"id": "jvasp-20325",
"created_at": "2022-09-04T14:38:33.306323Z",
"updated_at": "2022-09-04T14:38:33.306364Z",
"structure_string": "Er16 O24\n1.0\n8.580980 0.000000 -3.033835\n-4.290491 7.431347 -3.033835\n-0.000000 -0.000000 9.101505\nEr O\n16 24\ndirect\n0.000000 0.000000 0.000000 Er\n0.250000 0.032703 0.782703 Er\n0.717297 0.750000 0.467298 Er\n0.467297 0.717297 0.750000 Er\n0.782703 0.250000 0.032704 Er\n0.032703 0.782703 0.250000 Er\n0.750000 0.967297 0.217298 Er\n0.750000 0.467297 0.717297 Er\n0.532703 0.282703 0.250000 Er\n0.217297 0.750000 0.967297 Er\n0.967297 0.217297 0.750000 Er\n0.250000 0.532703 0.282703 Er\n0.500000 0.500000 0.000001 Er\n0.500000 -0.000000 0.500000 Er\n0.282703 0.250000 0.532703 Er\n0.000000 0.500000 0.500000 Er\n0.956553 0.728908 0.968296 O\n0.543447 0.511742 0.772356 O\n0.260613 0.988258 0.531705 O\n0.727645 0.239388 0.771092 O\n0.011742 0.468296 0.739388 O\n0.968296 0.956553 0.728909 O\n0.228908 0.272355 0.760612 O\n0.271092 0.031704 0.043447 O\n0.227645 0.456553 0.488258 O\n0.456553 0.488258 0.227645 O\n0.739388 0.011742 0.468296 O\n0.272356 0.760613 0.228909 O\n0.043447 0.271092 0.031704 O\n0.239388 0.771092 0.727645 O\n0.468296 0.739388 0.011743 O\n0.031704 0.043447 0.271092 O\n0.488258 0.227645 0.456553 O\n0.988258 0.531704 0.260613 O\n0.771092 0.727645 0.239388 O\n0.728908 0.968296 0.956553 O\n0.772355 0.543447 0.511743 O\n0.511742 0.772356 0.543448 O\n0.760612 0.228908 0.272356 O\n0.531704 0.260612 0.988258 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Er",
"O"
],
"chemical_system": "Er-O",
"density": 8.755304897379045,
"density_atomic": 0.06891953661956648,
"volume": 580.386955019716,
"volume_molar": 8.737929845991294,
"formula_full": "Er16 O24",
"formula_reduced": "Er2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3434860999999998,
"spacegroup": 206
},
{
"id": "jvasp-20783",
"created_at": "2022-09-04T14:38:33.976445Z",
"updated_at": "2022-09-04T14:38:33.976459Z",
"structure_string": "Y3 Co9\n1.0\n4.719545 0.010595 7.082388\n2.151455 4.200650 7.082388\n0.017287 0.010595 8.510818\nY Co\n3 9\ndirect\n0.860794 0.860795 0.860791 Y\n0.139207 0.139207 0.139207 Y\n0.000000 0.000000 0.000000 Y\n0.422344 0.422345 0.916059 Co\n0.422345 0.916061 0.422342 Co\n0.916061 0.422345 0.422342 Co\n0.500001 0.500001 0.499999 Co\n0.332110 0.332110 0.332109 Co\n0.667891 0.667892 0.667889 Co\n0.577657 0.083941 0.577655 Co\n0.577657 0.577657 0.083939 Co\n0.083940 0.577657 0.577656 Co\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Y",
"Co"
],
"chemical_system": "Co-Y",
"density": 7.886872790743177,
"density_atomic": 0.07150152290785168,
"volume": 167.82859318206582,
"volume_molar": 8.422395097459805,
"formula_full": "Y3 Co9",
"formula_reduced": "YCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1386470375,
"spacegroup": 166
},
{
"id": "jvasp-118595",
"created_at": "2022-09-04T14:38:45.768648Z",
"updated_at": "2022-09-04T14:38:45.768684Z",
"structure_string": "La1 N1\n1.0\n3.502877 0.013103 1.222035\n-2.063437 -3.203212 0.102194\n-2.236721 1.302822 -4.453207\nLa N\n1 1\ndirect\n0.131624 0.741462 0.777026 La\n-0.014313 0.658352 0.204305 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"N"
],
"chemical_system": "La-N",
"density": 6.800750883573878,
"density_atomic": 0.053566801267328115,
"volume": 37.336558328709756,
"volume_molar": 11.242300487472027,
"formula_full": "La1 N1",
"formula_reduced": "LaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5569241249999997,
"spacegroup": 44
},
{
"id": "jvasp-55145",
"created_at": "2022-09-04T14:38:34.156329Z",
"updated_at": "2022-09-04T14:38:34.156355Z",
"structure_string": "Th2 Cu1\n1.0\n2.684787 -4.650189 0.000000\n2.684787 4.650189 -0.000000\n-0.000000 -0.000000 3.146944\nTh Cu\n2 1\ndirect\n0.333333 0.666668 0.499999 Th\n0.666668 0.333333 0.499999 Th\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Cu"
],
"chemical_system": "Cu-Th",
"density": 11.149942838878346,
"density_atomic": 0.03817875865300178,
"volume": 78.57772504513127,
"volume_molar": 15.773537360745264,
"formula_full": "Th2 Cu1",
"formula_reduced": "Th2Cu",
"formula_anonymous": "AB2",
"energy_above_hull": 2.041957216666667,
"spacegroup": 191
},
{
"id": "jvasp-26862",
"created_at": "2022-09-04T14:38:33.974086Z",
"updated_at": "2022-09-04T14:38:33.974115Z",
"structure_string": "Ti20 Si16\n1.0\n6.730288 0.000000 -0.000000\n0.000000 6.730288 0.000000\n-0.000000 -0.000000 12.216544\nTi Si\n20 16\ndirect\n0.995433 0.149672 0.621631 Ti\n0.829530 0.829530 0.500000 Ti\n0.670471 0.329530 0.750000 Ti\n0.170470 0.170470 0.000000 Ti\n0.655217 0.996896 0.281401 Ti\n0.344784 0.003104 0.781401 Ti\n0.996896 0.655217 0.718599 Ti\n0.496896 0.844784 0.031401 Ti\n0.503104 0.155217 0.531401 Ti\n0.844784 0.496896 0.968599 Ti\n0.329530 0.670471 0.250000 Ti\n0.003104 0.344784 0.218599 Ti\n0.850328 0.004567 0.878369 Ti\n0.149672 0.995433 0.378369 Ti\n0.004567 0.850328 0.121631 Ti\n0.504567 0.649672 0.628369 Ti\n0.495433 0.350328 0.128369 Ti\n0.649672 0.504567 0.371631 Ti\n0.350328 0.495433 0.871631 Ti\n0.155217 0.503104 0.468599 Ti\n0.705427 0.642006 0.171435 Si\n0.205427 0.857994 0.578564 Si\n0.794573 0.142006 0.078565 Si\n0.857994 0.205427 0.421435 Si\n0.142006 0.794573 0.921435 Si\n0.294573 0.357994 0.671435 Si\n0.698470 0.956569 0.686470 Si\n0.543431 0.198470 0.936470 Si\n0.956569 0.698470 0.313529 Si\n0.456569 0.801530 0.436470 Si\n0.801530 0.456569 0.563529 Si\n0.198470 0.543431 0.063529 Si\n0.043431 0.301530 0.813529 Si\n0.357994 0.294573 0.328565 Si\n0.301530 0.043431 0.186470 Si\n0.642006 0.705427 0.828564 Si\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.221214231702037,
"density_atomic": 0.06505592251181855,
"volume": 553.3700639393742,
"volume_molar": 9.256867826147532,
"formula_full": "Ti20 Si16",
"formula_reduced": "Ti5Si4",
"formula_anonymous": "A4B5",
"energy_above_hull": 4.083012896296297,
"spacegroup": 92
},
{
"id": "jvasp-30486",
"created_at": "2022-09-04T14:38:37.180474Z",
"updated_at": "2022-09-04T14:38:37.180505Z",
"structure_string": "Mg2 Zn2\n1.0\n3.121954 0.000000 0.000000\n0.000000 4.878179 0.000000\n0.000000 0.000000 4.659218\nMg Zn\n2 2\ndirect\n0.499997 0.535866 0.000000 Mg\n0.499997 0.130803 0.499998 Mg\n0.000000 0.022129 0.000000 Zn\n0.000000 0.644537 0.499998 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.1989630275308585,
"density_atomic": 0.05637190718631461,
"volume": 70.9573296283841,
"volume_molar": 10.682875674396188,
"formula_full": "Mg2 Zn2",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5123408823529412,
"spacegroup": 51
}
]
}