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=formula_anonymous&page=694",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=692",
"results": [
{
"id": "jvasp-14578",
"created_at": "2022-09-04T14:35:54.383109Z",
"updated_at": "2022-09-04T14:35:54.383126Z",
"structure_string": "Pr2 Os4\n1.0\n4.745733 0.000000 2.739950\n1.581911 4.474320 2.739950\n-0.000000 -0.000000 5.479900\nPr Os\n2 4\ndirect\n0.125000 0.125000 0.125000 Pr\n0.874999 0.875000 0.875000 Pr\n-0.000000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Os"
],
"chemical_system": "Os-Pr",
"density": 14.880591622418592,
"density_atomic": 0.05156419891409635,
"volume": 116.35980246674114,
"volume_molar": 11.678918487675173,
"formula_full": "Pr2 Os4",
"formula_reduced": "PrOs2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.9942332833333336,
"spacegroup": 227
},
{
"id": "jvasp-62212",
"created_at": "2022-09-04T14:35:54.367601Z",
"updated_at": "2022-09-04T14:35:54.367628Z",
"structure_string": "Er8 Au4\n1.0\n4.871811 -0.000000 0.000000\n-0.000000 6.989065 0.000000\n0.000000 0.000000 8.814366\nEr Au\n8 4\ndirect\n0.250000 0.849131 0.080355 Er\n0.750000 0.650868 0.580355 Er\n0.750000 0.150868 0.919645 Er\n0.250000 0.349131 0.419645 Er\n0.250000 0.487670 0.822729 Er\n0.750000 0.012330 0.322729 Er\n0.750000 0.512329 0.177271 Er\n0.250000 0.987670 0.677271 Er\n0.250000 0.258290 0.098568 Au\n0.750000 0.241710 0.598568 Au\n0.750000 0.741710 0.901433 Au\n0.250000 0.758289 0.401432 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Er",
"Au"
],
"chemical_system": "Au-Er",
"density": 11.762487031546119,
"density_atomic": 0.0399834859266391,
"volume": 300.1239067053173,
"volume_molar": 15.061570096837741,
"formula_full": "Er8 Au4",
"formula_reduced": "Er2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7024058566666668,
"spacegroup": 62
},
{
"id": "jvasp-93437",
"created_at": "2022-09-04T14:36:01.823873Z",
"updated_at": "2022-09-04T14:36:01.823892Z",
"structure_string": "Pd2 I4\n1.0\n3.921268 0.000000 0.000000\n0.000000 6.605964 0.000000\n0.000000 0.000000 7.739582\nPd I\n2 4\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.286173 0.354979 I\n0.500000 0.786173 0.145020 I\n0.500000 0.213827 0.854979 I\n0.000000 0.713826 0.645020 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pd",
"I"
],
"chemical_system": "I-Pd",
"density": 5.967294330324333,
"density_atomic": 0.029927539768999468,
"volume": 200.4842378061132,
"volume_molar": 20.122405003828792,
"formula_full": "Pd2 I4",
"formula_reduced": "PdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2388660833333332,
"spacegroup": 58
},
{
"id": "jvasp-43432",
"created_at": "2022-09-04T14:35:52.426834Z",
"updated_at": "2022-09-04T14:35:52.426857Z",
"structure_string": "K16 O8\n1.0\n9.262172 0.000000 0.000000\n0.000000 9.262172 -0.000000\n0.000000 -0.000000 6.496996\nK O\n16 8\ndirect\n0.750014 0.750014 0.500000 K\n0.749986 0.749986 0.000000 K\n0.250014 0.749986 0.000000 K\n0.000000 0.500000 0.500233 K\n0.000000 0.500000 0.000233 K\n0.500000 0.500000 0.250047 K\n0.749986 0.250014 0.000000 K\n0.250014 0.250014 0.000000 K\n0.500000 0.500000 0.749953 K\n0.750014 0.249986 0.500000 K\n0.000000 0.000000 0.750048 K\n0.500000 0.000000 0.499767 K\n0.000000 0.000000 0.249953 K\n0.500000 0.000000 -0.000233 K\n0.249986 0.750014 0.500000 K\n0.249986 0.249986 0.500000 K\n0.232387 0.500000 0.250179 O\n0.500000 0.767613 0.749821 O\n0.267613 0.000000 0.249821 O\n0.732386 0.000000 0.249821 O\n0.500000 0.232387 0.749821 O\n0.000000 0.267613 0.750179 O\n0.767613 0.500000 0.250179 O\n0.000000 0.732386 0.750179 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.2450874531666942,
"density_atomic": 0.04305989426138704,
"volume": 557.3631893825026,
"volume_molar": 13.985498253766533,
"formula_full": "K16 O8",
"formula_reduced": "K2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0225,
"spacegroup": 132
},
{
"id": "jvasp-577",
"created_at": "2022-09-04T14:35:54.824500Z",
"updated_at": "2022-09-04T14:35:54.824529Z",
"structure_string": "Nb1 S2\n1.0\n3.287585 0.012224 5.517945\n1.528504 2.910677 5.517945\n0.020141 0.012224 6.423046\nNb S\n1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.751203 0.751202 0.751205 S\n0.248797 0.248797 0.248798 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nb",
"S"
],
"chemical_system": "Nb-S",
"density": 4.281717829851072,
"density_atomic": 0.04925949160610235,
"volume": 60.90196837574253,
"volume_molar": 12.225340870659668,
"formula_full": "Nb1 S2",
"formula_reduced": "NbS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3875398,
"spacegroup": 166
},
{
"id": "jvasp-35753",
"created_at": "2022-09-04T14:37:30.367634Z",
"updated_at": "2022-09-04T14:37:30.367669Z",
"structure_string": "Y1 Au2\n1.0\n3.739329 0.000000 0.000000\n0.000000 3.739329 0.000000\n-1.869665 -1.869665 4.524583\nY Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.664722 0.664722 0.329444 Au\n0.335279 0.335279 0.670555 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Y",
"Au"
],
"chemical_system": "Au-Y",
"density": 12.673177385551403,
"density_atomic": 0.04741932197816664,
"volume": 63.26534996390913,
"volume_molar": 12.69976142377739,
"formula_full": "Y1 Au2",
"formula_reduced": "YAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7985401966666669,
"spacegroup": 139
},
{
"id": "jvasp-35750",
"created_at": "2022-09-04T14:37:29.431603Z",
"updated_at": "2022-09-04T14:37:29.431618Z",
"structure_string": "Zr1 Pd2\n1.0\n3.468391 0.000000 0.000000\n0.000000 3.468391 0.000000\n-1.734195 -1.734195 4.350647\nZr Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.662386 0.662386 0.324773 Pd\n0.337613 0.337613 0.675228 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 9.647263781035148,
"density_atomic": 0.05732067636252955,
"volume": 52.33713539990774,
"volume_molar": 10.506053211780776,
"formula_full": "Zr1 Pd2",
"formula_reduced": "ZrPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9963353000000004,
"spacegroup": 139
},
{
"id": "jvasp-50106",
"created_at": "2022-09-04T14:37:29.456448Z",
"updated_at": "2022-09-04T14:37:29.456474Z",
"structure_string": "Hg1 O2\n1.0\n2.943133 2.113862 -0.408717\n-2.943133 2.113862 0.408717\n-2.154083 0.000000 4.083904\nHg O\n1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.555632 0.444367 0.690925 O\n0.444368 0.555631 0.309074 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hg",
"O"
],
"chemical_system": "Hg-O",
"density": 8.201298812440529,
"density_atomic": 0.06370389616405298,
"volume": 47.092880979748436,
"volume_molar": 9.453331935132393,
"formula_full": "Hg1 O2",
"formula_reduced": "HgO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9567538666666664,
"spacegroup": 12
},
{
"id": "jvasp-36207",
"created_at": "2022-09-04T14:37:29.464405Z",
"updated_at": "2022-09-04T14:37:29.464439Z",
"structure_string": "Zr1 Ag2\n1.0\n3.562428 0.000000 -0.000000\n-0.000000 3.562428 0.000000\n-1.781214 -1.781214 4.503020\nZr Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.671325 0.671325 0.342649 Ag\n0.328676 0.328676 0.657351 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Ag"
],
"chemical_system": "Ag-Zr",
"density": 8.919394695902406,
"density_atomic": 0.05249587605236772,
"volume": 57.147346145958664,
"volume_molar": 11.47164541838022,
"formula_full": "Zr1 Ag2",
"formula_reduced": "ZrAg2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0899163400000005,
"spacegroup": 139
},
{
"id": "jvasp-231",
"created_at": "2022-09-04T14:37:39.879566Z",
"updated_at": "2022-09-04T14:37:39.879595Z",
"structure_string": "Mo1 Se2\n1.0\n3.236355 0.003364 6.027174\n1.518444 2.858030 6.027174\n0.005591 0.003364 6.841110\nMo Se\n1 2\ndirect\n0.333197 0.333195 0.333196 Mo\n0.581700 0.581697 0.581699 Se\n0.751439 0.751436 0.751438 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mo",
"Se"
],
"chemical_system": "Mo-Se",
"density": 6.679354320569434,
"density_atomic": 0.04753487581929077,
"volume": 63.11155647918048,
"volume_molar": 12.668889223343829,
"formula_full": "Mo1 Se2",
"formula_reduced": "MoSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.370584211111111,
"spacegroup": 160
},
{
"id": "jvasp-56840",
"created_at": "2022-09-04T14:37:39.929668Z",
"updated_at": "2022-09-04T14:37:39.929683Z",
"structure_string": "Hf8 Te4\n1.0\n3.766114 0.000000 0.000000\n-1.883057 7.575693 -0.059052\n0.000000 0.009847 10.075655\nHf Te\n8 4\ndirect\n0.747054 0.494111 0.383537 Hf\n0.219801 0.439603 0.128293 Hf\n0.591877 0.183754 0.653195 Hf\n0.780197 0.560397 0.871707 Hf\n0.252944 0.505889 0.616463 Hf\n0.913231 0.826466 0.578494 Hf\n0.086767 0.173534 0.421506 Hf\n0.408121 0.816246 0.346805 Hf\n0.579566 0.159133 0.194432 Te\n0.866620 0.733245 0.130540 Te\n0.133378 0.266755 0.869460 Te\n0.420432 0.840867 0.805568 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hf",
"Te"
],
"chemical_system": "Hf-Te",
"density": 11.196496501009111,
"density_atomic": 0.04174349620571978,
"volume": 287.469931623881,
"volume_molar": 14.426536604221557,
"formula_full": "Hf8 Te4",
"formula_reduced": "Hf2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 3.353027922222223,
"spacegroup": 12
},
{
"id": "jvasp-20374",
"created_at": "2022-09-04T14:37:40.263699Z",
"updated_at": "2022-09-04T14:37:40.263731Z",
"structure_string": "Dy1 B2\n1.0\n1.644110 -2.847682 -0.000000\n1.644110 2.847682 -0.000000\n0.000000 0.000000 3.878203\nDy B\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Dy",
"B"
],
"chemical_system": "B-Dy",
"density": 8.419220552224902,
"density_atomic": 0.08261109145974636,
"volume": 36.31473627801904,
"volume_molar": 7.289748450950305,
"formula_full": "Dy1 B2",
"formula_reduced": "DyB2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.862530555555556,
"spacegroup": 191
}
]
}