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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4576",
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"results": [
{
"id": "jvasp-5566",
"created_at": "2022-09-04T14:37:42.089808Z",
"updated_at": "2022-09-04T14:37:42.089817Z",
"structure_string": "Al12 Te12 I4\n1.0\n4.141898 0.000000 0.000000\n0.000000 11.357082 0.000000\n0.000000 0.000000 19.904395\nAl Te I\n12 12 4\ndirect\n0.750000 0.837851 0.632950 Al\n0.750000 0.949815 0.101410 Al\n0.250000 0.050185 0.898590 Al\n0.750000 0.449815 0.398590 Al\n0.750000 0.828961 0.992272 Al\n0.250000 0.171038 0.007728 Al\n0.250000 0.550185 0.601410 Al\n0.250000 0.671038 0.492272 Al\n0.250000 0.662149 0.132950 Al\n0.750000 0.337851 0.867050 Al\n0.250000 0.162149 0.367050 Al\n0.750000 0.328961 0.507728 Al\n0.250000 0.091302 0.135222 Te\n0.250000 0.673839 -0.001061 Te\n0.750000 0.326160 0.001061 Te\n0.250000 0.173839 0.501061 Te\n0.750000 0.826160 0.498939 Te\n0.750000 0.908698 0.864778 Te\n0.750000 0.271288 0.308039 Te\n0.750000 0.408698 0.635222 Te\n0.750000 0.771288 0.191961 Te\n0.250000 0.228712 0.808039 Te\n0.250000 0.728712 0.691961 Te\n0.250000 0.591302 0.364778 Te\n0.750000 0.551586 0.830730 I\n0.750000 0.051586 0.669271 I\n0.250000 0.948414 0.330730 I\n0.250000 0.448414 0.169271 I\n",
"nsites": 28,
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"elements": [
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"Te",
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],
"chemical_system": "Al-I-Te",
"density": 4.190091262369966,
"density_atomic": 0.0299049367826359,
"volume": 936.3002571621556,
"volume_molar": 20.137614079481065,
"formula_full": "Al12 Te12 I4",
"formula_reduced": "Al3Te3I",
"formula_anonymous": "AB3C3",
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"spacegroup": 62
},
{
"id": "jvasp-92300",
"created_at": "2022-09-04T14:35:58.562018Z",
"updated_at": "2022-09-04T14:35:58.562043Z",
"structure_string": "Al3 Tc2\n1.0\n-2.178132 -3.772053 -0.000184\n-2.177629 3.771762 -0.000000\n-0.000347 -0.000200 -5.115284\nAl Tc\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333267 0.666633 0.610055 Al\n0.666733 0.333367 0.389944 Al\n0.333381 0.666690 0.106224 Tc\n0.666619 0.333311 0.893774 Tc\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Tc"
],
"chemical_system": "Al-Tc",
"density": 5.472014011276252,
"density_atomic": 0.05949427565651512,
"volume": 84.04169888321782,
"volume_molar": 10.122218807685451,
"formula_full": "Al3 Tc2",
"formula_reduced": "Al3Tc2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.36850428,
"spacegroup": 164
},
{
"id": "jvasp-40439",
"created_at": "2022-09-04T14:38:02.887083Z",
"updated_at": "2022-09-04T14:38:02.887095Z",
"structure_string": "Al3 Tc1\n1.0\n-1.921476 1.921476 4.027520\n1.921476 -1.921476 4.027520\n1.921476 1.921476 -4.027520\nAl Tc\n3 1\ndirect\n0.750001 0.250000 0.500000 Al\n0.250000 0.750001 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Tc"
],
"chemical_system": "Al-Tc",
"density": 4.995743216636289,
"density_atomic": 0.06725001191524124,
"volume": 59.479543364860845,
"volume_molar": 8.954854562092901,
"formula_full": "Al3 Tc1",
"formula_reduced": "Al3Tc",
"formula_anonymous": "AB3",
"energy_above_hull": 2.552117475,
"spacegroup": 139
},
{
"id": "jvasp-100146",
"created_at": "2022-09-04T14:36:34.610276Z",
"updated_at": "2022-09-04T14:36:34.610302Z",
"structure_string": "Al3 Sn1\n1.0\n3.999229 0.156440 -3.595368\n-0.692709 3.941884 -3.595368\n-0.126216 -0.156440 5.376296\nAl Sn\n3 1\ndirect\n0.750000 0.250000 0.499999 Al\n0.249999 0.749999 0.499999 Al\n0.500000 0.499999 -0.000001 Al\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Sn"
],
"chemical_system": "Al-Sn",
"density": 4.094007377066592,
"density_atomic": 0.04939467811831785,
"volume": 80.98038396805775,
"volume_molar": 12.191881776362278,
"formula_full": "Al3 Sn1",
"formula_reduced": "Al3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4088850250000002,
"spacegroup": 139
},
{
"id": "jvasp-102451",
"created_at": "2022-09-04T14:37:12.066370Z",
"updated_at": "2022-09-04T14:37:12.066395Z",
"structure_string": "Al3 Sn1\n1.0\n4.317526 0.000000 0.000000\n0.000000 4.317526 0.000000\n0.000000 0.000000 4.317526\nAl Sn\n3 1\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Sn"
],
"chemical_system": "Al-Sn",
"density": 4.119301384839209,
"density_atomic": 0.049699853282204796,
"volume": 80.4831349760184,
"volume_molar": 12.117019190791552,
"formula_full": "Al3 Sn1",
"formula_reduced": "Al3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 1.406607525,
"spacegroup": 221
},
{
"id": "jvasp-100433",
"created_at": "2022-09-04T14:36:36.114087Z",
"updated_at": "2022-09-04T14:36:36.114102Z",
"structure_string": "Al3 Si1 Pd4\n1.0\n4.894493 -0.001865 -0.052621\n-0.053170 4.894204 -0.052621\n-0.001846 -0.001865 4.894775\nAl Si Pd\n3 1 4\ndirect\n0.341365 0.158427 0.649972 Al\n0.158427 0.649970 0.341367 Al\n0.649971 0.341365 0.158428 Al\n0.843739 0.843738 0.843742 Si\n0.144284 0.144284 0.144284 Pd\n0.655623 0.850264 0.356321 Pd\n0.850265 0.356318 0.655625 Pd\n0.356319 0.655622 0.850267 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Si",
"Pd"
],
"chemical_system": "Al-Pd-Si",
"density": 7.572692866027524,
"density_atomic": 0.06822960110862415,
"volume": 117.25116181265214,
"volume_molar": 8.8262875088666,
"formula_full": "Al3 Si1 Pd4",
"formula_reduced": "Al3SiPd4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.065844975,
"spacegroup": 146
},
{
"id": "jvasp-92731",
"created_at": "2022-09-04T14:36:34.855993Z",
"updated_at": "2022-09-04T14:36:34.856024Z",
"structure_string": "Al3 Ru2\n1.0\n3.108221 0.000000 -0.000000\n0.000000 3.108221 -0.000000\n-1.554111 -1.554111 7.185814\nAl Ru\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.806258 0.806258 0.612515 Al\n0.193742 0.193742 0.387484 Al\n0.606210 0.606210 0.212420 Ru\n0.393790 0.393790 0.787579 Ru\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Ru"
],
"chemical_system": "Al-Ru",
"density": 6.771199561145034,
"density_atomic": 0.07202284159829875,
"volume": 69.42242056883944,
"volume_molar": 8.361431771309407,
"formula_full": "Al3 Ru2",
"formula_reduced": "Al3Ru2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.85905988,
"spacegroup": 139
},
{
"id": "jvasp-92294",
"created_at": "2022-09-04T14:35:47.317996Z",
"updated_at": "2022-09-04T14:35:47.318019Z",
"structure_string": "Al3 Ru2\n1.0\n-2.109304 -3.653428 0.000011\n-2.109309 3.653431 0.000000\n0.000009 0.000006 -5.092772\nAl Ru\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333332 0.666667 0.646016 Al\n0.666667 0.333333 0.353984 Al\n0.333337 0.666668 0.154955 Ru\n0.666661 0.333331 0.845045 Ru\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Ru"
],
"chemical_system": "Al-Ru",
"density": 5.988812474751001,
"density_atomic": 0.0637008684112638,
"volume": 78.49186556954197,
"volume_molar": 9.453781259495585,
"formula_full": "Al3 Ru2",
"formula_reduced": "Al3Ru2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.8999718800000007,
"spacegroup": 164
},
{
"id": "jvasp-20161",
"created_at": "2022-09-04T14:38:13.634678Z",
"updated_at": "2022-09-04T14:38:13.634694Z",
"structure_string": "Al6 Pt10\n1.0\n4.003127 0.000000 0.000000\n0.000000 5.473913 0.000000\n0.000000 0.000000 10.917031\nAl Pt\n6 10\ndirect\n0.500000 0.179137 0.640136 Al\n0.500000 0.820862 0.359863 Al\n0.500000 0.679137 0.859863 Al\n0.500000 0.320863 0.140136 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.292428 0.393099 Pt\n0.500000 0.707572 0.606901 Pt\n0.500000 0.792427 0.106901 Pt\n0.500000 0.207572 0.893099 Pt\n0.000000 0.426010 0.729348 Pt\n0.000000 0.573989 0.270651 Pt\n0.000000 0.926010 0.770651 Pt\n0.000000 0.073990 0.229348 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 16,
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"elements": [
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"Pt"
],
"chemical_system": "Al-Pt",
"density": 14.665306233178969,
"density_atomic": 0.06688337502735914,
"volume": 239.22237766044375,
"volume_molar": 9.0039426950817,
"formula_full": "Al6 Pt10",
"formula_reduced": "Al3Pt5",
"formula_anonymous": "A3B5",
"energy_above_hull": 2.534150675,
"spacegroup": 55
},
{
"id": "jvasp-56361",
"created_at": "2022-09-04T14:38:36.282524Z",
"updated_at": "2022-09-04T14:38:36.282552Z",
"structure_string": "Al6 Pt4\n1.0\n2.054021 -3.557669 0.000000\n2.054021 3.557669 -0.000000\n0.000000 0.000000 11.345275\nAl Pt\n6 4\ndirect\n0.333333 0.666667 0.333587 Al\n0.666667 0.333333 0.666413 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.776872 Al\n0.000000 0.000000 0.223128 Al\n0.333333 0.666667 0.589490 Pt\n0.333333 0.666667 0.106830 Pt\n0.666667 0.333333 0.410510 Pt\n0.666667 0.333333 0.893170 Pt\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Al-Pt",
"density": 9.436009847410226,
"density_atomic": 0.06030933754235499,
"volume": 165.81180307240223,
"volume_molar": 9.985420177714067,
"formula_full": "Al6 Pt4",
"formula_reduced": "Al3Pt2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.06309024,
"spacegroup": 164
},
{
"id": "jvasp-16378",
"created_at": "2022-09-04T14:38:03.082199Z",
"updated_at": "2022-09-04T14:38:03.082235Z",
"structure_string": "Al3 Pt2\n1.0\n2.118111 -3.668677 -0.000000\n2.118111 3.668677 0.000000\n0.000000 0.000000 5.260502\nAl Pt\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.647718 Al\n0.666667 0.333333 0.352282 Al\n0.333333 0.666667 0.170739 Pt\n0.666667 0.333333 0.829260 Pt\n",
"nsites": 5,
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"elements": [
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],
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"density": 9.568821503485989,
"density_atomic": 0.061158190301663064,
"volume": 81.75519869599601,
"volume_molar": 9.846826288181127,
"formula_full": "Al3 Pt2",
"formula_reduced": "Al3Pt2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.99262224,
"spacegroup": 164
},
{
"id": "jvasp-16374",
"created_at": "2022-09-04T14:37:55.807801Z",
"updated_at": "2022-09-04T14:37:55.807815Z",
"structure_string": "Al3 Pd2\n1.0\n2.123885 -3.678677 0.000000\n2.123885 3.678677 -0.000000\n0.000000 -0.000000 5.215198\nAl Pd\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666668 0.333334 0.354235 Al\n0.333334 0.666668 0.645765 Al\n0.666668 0.333334 0.840111 Pd\n0.333334 0.666668 0.159890 Pd\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Al-Pd",
"density": 5.986247870553361,
"density_atomic": 0.061354518539055374,
"volume": 81.4935903509248,
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"formula_full": "Al3 Pd2",
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}
]
}