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=-energy_above_hull&page=1197",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1195",
"results": [
{
"id": "jvasp-18919",
"created_at": "2022-09-04T14:35:48.186035Z",
"updated_at": "2022-09-04T14:35:48.186061Z",
"structure_string": "Sc1 Rh3\n1.0\n3.920850 0.000000 0.000000\n0.000000 3.920850 0.000000\n-0.000000 -0.000000 3.920850\nSc Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Rh"
],
"chemical_system": "Rh-Sc",
"density": 9.743379048034518,
"density_atomic": 0.06636197581119313,
"volume": 60.27548081721413,
"volume_molar": 9.074685746448584,
"formula_full": "Sc1 Rh3",
"formula_reduced": "ScRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6545135625,
"spacegroup": 221
},
{
"id": "jvasp-119723",
"created_at": "2022-09-04T14:38:36.922497Z",
"updated_at": "2022-09-04T14:38:36.922517Z",
"structure_string": "Li4 Ti2 Co4 O10\n1.0\n4.804819 -0.064564 1.672927\n1.771828 4.737695 0.626964\n-0.093454 -0.062438 7.700556\nLi Ti Co O\n4 2 4 10\ndirect\n0.104181 0.496182 0.793931 Li\n0.199441 -0.000537 0.598820 Li\n0.506685 0.512616 0.001400 Li\n0.795709 -0.002376 0.404886 Li\n0.683518 0.506008 0.611066 Ti\n-0.009148 0.003173 0.997980 Ti\n0.923609 0.486850 0.203030 Co\n0.608086 0.000505 0.791737 Co\n0.297037 0.495517 0.389644 Co\n0.383286 0.015970 0.216579 Co\n0.933672 0.732942 0.598207 O\n0.149867 0.762743 0.185722 O\n0.036471 0.254003 0.417135 O\n0.346218 0.748726 0.798493 O\n0.547609 0.734970 0.407927 O\n0.668890 0.244439 0.185686 O\n0.250979 0.228423 -0.004704 O\n0.464542 0.264166 0.595850 O\n0.757933 0.762076 0.005752 O\n0.851427 0.253604 0.800860 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.8732925304778885,
"density_atomic": 0.11304411778396384,
"volume": 176.92207601833442,
"volume_molar": 5.327248226669151,
"formula_full": "Li4 Ti2 Co4 O10",
"formula_reduced": "Li2TiCo2O5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 2.6543847633333337,
"spacegroup": 1
},
{
"id": "jvasp-18427",
"created_at": "2022-09-04T14:36:41.313206Z",
"updated_at": "2022-09-04T14:36:41.313223Z",
"structure_string": "Co1 H2 O2\n1.0\n1.572847 -2.724251 0.000000\n1.572847 2.724251 -0.000000\n0.000000 0.000000 4.595904\nCo H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.333334 0.666668 0.443708 H\n0.666668 0.333334 0.556291 H\n0.666668 0.333334 0.769133 O\n0.333334 0.666668 0.230866 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 3.9188083184784097,
"density_atomic": 0.1269508061022988,
"volume": 39.385334788429205,
"volume_molar": 4.74368059951291,
"formula_full": "Co1 H2 O2",
"formula_reduced": "Co(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.65418758,
"spacegroup": 164
},
{
"id": "jvasp-110191",
"created_at": "2022-09-04T14:38:18.914515Z",
"updated_at": "2022-09-04T14:38:18.914535Z",
"structure_string": "Nb1 O3\n1.0\n3.983237 -0.000000 0.000000\n0.000000 3.983237 0.000000\n-0.000000 0.000000 3.986218\nNb O\n1 3\ndirect\n0.000000 0.000000 0.993838 Nb\n0.500000 0.000000 0.004344 O\n0.000000 0.000000 0.501612 O\n-0.000000 0.500000 0.004344 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 3.699481556320035,
"density_atomic": 0.06324506606920001,
"volume": 63.246040341287234,
"volume_molar": 9.521913936196754,
"formula_full": "Nb1 O3",
"formula_reduced": "NbO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.654097475,
"spacegroup": 221
},
{
"id": "jvasp-42485",
"created_at": "2022-09-04T14:38:31.088000Z",
"updated_at": "2022-09-04T14:38:31.088030Z",
"structure_string": "V6 O8 F4\n1.0\n0.000000 6.505746 0.000139\n2.969460 0.000000 0.000000\n0.000000 -3.251425 -9.869227\nV O F\n6 8 4\ndirect\n0.007077 0.000000 0.014191 V\n0.166678 0.500000 0.333340 V\n0.507029 0.500000 0.014080 V\n0.666670 0.000000 0.333326 V\n0.326250 0.000000 0.652484 V\n0.826290 0.500000 0.652574 V\n0.632754 0.000000 0.666535 O\n0.732079 0.500000 0.464187 O\n0.264688 0.500000 0.529323 O\n0.601256 0.500000 0.202467 O\n0.700581 0.000000 0.000129 O\n0.299545 0.000000 0.000150 O\n0.068652 0.500000 0.137355 O\n0.033780 0.000000 0.666513 O\n0.966990 0.000000 0.333357 F\n0.366358 0.000000 0.333311 F\n0.399618 0.500000 0.799266 F\n0.933720 0.500000 0.867411 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.438702896115961,
"density_atomic": 0.09440996595267045,
"volume": 190.65783806154266,
"volume_molar": 6.378712987799418,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.654041907222222,
"spacegroup": 65
},
{
"id": "jvasp-15283",
"created_at": "2022-09-04T14:36:57.368600Z",
"updated_at": "2022-09-04T14:36:57.368633Z",
"structure_string": "Ho1 Si2 Rh2\n1.0\n3.800845 0.000000 -1.435934\n-0.542486 3.761932 -1.435934\n-0.000612 -0.000706 5.746669\nHo Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.621216 0.621217 0.242436 Si\n0.378782 0.378781 0.757565 Si\n0.249999 0.749999 0.500000 Rh\n0.749999 0.249999 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Si",
"Rh"
],
"chemical_system": "Ho-Rh-Si",
"density": 8.628220783355172,
"density_atomic": 0.06085600912580678,
"volume": 82.16115502519348,
"volume_molar": 9.89572081131793,
"formula_full": "Ho1 Si2 Rh2",
"formula_reduced": "Ho(SiRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6540177533333327,
"spacegroup": 139
},
{
"id": "jvasp-85413",
"created_at": "2022-09-04T14:35:49.355911Z",
"updated_at": "2022-09-04T14:35:49.355965Z",
"structure_string": "Mg2 W2 O8\n1.0\n5.338492 1.192195 0.000000\n1.335635 5.386120 0.000000\n0.000000 0.000000 5.497066\nMg W O\n2 2 8\ndirect\n0.500000 0.250000 0.633446 Mg\n0.500000 0.750000 0.366555 Mg\n0.000000 0.250000 0.151895 W\n0.000001 0.750000 0.848106 W\n0.278437 0.675576 0.633389 O\n0.278436 0.175576 0.366612 O\n0.721564 0.324425 0.366612 O\n0.808984 0.651234 0.114257 O\n0.191016 0.348767 0.885743 O\n0.191016 0.848767 0.114257 O\n0.721564 0.824425 0.633389 O\n0.808984 0.151234 0.885743 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"W",
"O"
],
"chemical_system": "Mg-O-W",
"density": 6.0532997737988605,
"density_atomic": 0.08037071001649258,
"volume": 149.30812478249257,
"volume_molar": 7.492954533765123,
"formula_full": "Mg2 W2 O8",
"formula_reduced": "MgWO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.653978841666667,
"spacegroup": 13
},
{
"id": "jvasp-15375",
"created_at": "2022-09-04T14:36:50.337177Z",
"updated_at": "2022-09-04T14:36:50.337202Z",
"structure_string": "Sr1 As2 Ru2\n1.0\n3.969134 -0.000000 -1.386038\n-0.484010 3.939512 -1.386038\n0.010934 0.012360 6.407444\nSr As Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.640520 0.640521 0.281042 As\n0.359478 0.359479 0.718956 As\n0.749999 0.250000 0.499999 Ru\n0.249999 0.750000 0.499999 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"As",
"Ru"
],
"chemical_system": "As-Ru-Sr",
"density": 7.276086401390249,
"density_atomic": 0.04983769056530568,
"volume": 100.32567607538242,
"volume_molar": 12.083506863362349,
"formula_full": "Sr1 As2 Ru2",
"formula_reduced": "Sr(AsRu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.653892162,
"spacegroup": 139
},
{
"id": "jvasp-50009",
"created_at": "2022-09-04T14:36:42.871840Z",
"updated_at": "2022-09-04T14:36:42.871867Z",
"structure_string": "La4 Pt4 O14\n1.0\n-5.298778 5.298778 -0.000000\n5.298778 -0.000000 5.298778\n5.298778 5.298778 0.000000\nLa Pt O\n4 4 14\ndirect\n0.625000 0.750000 0.125000 La\n0.125000 0.250000 0.125000 La\n0.125000 0.750000 0.125000 La\n0.125000 0.250000 0.625000 La\n0.625000 0.250000 0.125000 Pt\n0.625000 0.250000 0.625000 Pt\n0.625000 0.750000 0.625000 Pt\n0.125000 0.750000 0.625000 Pt\n0.957427 0.914853 0.542574 O\n0.542574 0.085147 0.957427 O\n0.957427 0.500000 0.957427 O\n0.250000 0.500000 0.250000 O\n0.542574 0.500000 0.542574 O\n0.292574 0.000000 0.707427 O\n0.292574 0.000000 0.292574 O\n0.707427 0.000000 0.707427 O\n0.000000 0.000000 0.000000 O\n0.542574 0.500000 0.957427 O\n0.707427 0.414853 0.292574 O\n0.707427 0.000000 0.292574 O\n0.957427 0.500000 0.542574 O\n0.292574 0.585147 0.707427 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"La",
"Pt",
"O"
],
"chemical_system": "La-O-Pt",
"density": 8.705675238947284,
"density_atomic": 0.07393762763355034,
"volume": 297.5480916027817,
"volume_molar": 8.14489313864239,
"formula_full": "La4 Pt4 O14",
"formula_reduced": "La2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.653807027272727,
"spacegroup": 227
},
{
"id": "jvasp-11777",
"created_at": "2022-09-04T14:36:30.792217Z",
"updated_at": "2022-09-04T14:36:30.792246Z",
"structure_string": "Fe3 P3 O12\n1.0\n2.525353 -4.374038 0.000000\n2.525353 4.374038 -0.000000\n0.000000 0.000000 11.293157\nFe P O\n3 3 12\ndirect\n-0.000000 0.453308 0.166667 Fe\n0.546692 0.546692 0.500000 Fe\n0.453308 -0.000000 0.833333 Fe\n-0.000000 0.451040 0.666667 P\n0.548959 0.548959 0.000000 P\n0.451040 -0.000000 0.333333 P\n0.416865 0.323775 0.894596 O\n0.323775 0.416865 0.105404 O\n0.583134 0.906909 0.438738 O\n0.093089 0.676224 0.772071 O\n0.138340 0.732386 0.293706 O\n0.405955 0.267613 0.372962 O\n0.267613 0.405955 0.627039 O\n0.676224 0.093089 0.227929 O\n0.732386 0.138340 0.706295 O\n0.861659 0.594044 0.039628 O\n0.594044 0.861659 0.960373 O\n0.906909 0.583134 0.561262 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.0114024960545356,
"density_atomic": 0.07214770127868297,
"volume": 249.48819825141604,
"volume_molar": 8.34696137682674,
"formula_full": "Fe3 P3 O12",
"formula_reduced": "FePO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.653799166666667,
"spacegroup": 152
},
{
"id": "jvasp-30488",
"created_at": "2022-09-04T14:38:35.679625Z",
"updated_at": "2022-09-04T14:38:35.679651Z",
"structure_string": "Si1 As3\n1.0\n-1.903986 1.903986 5.470056\n1.903986 -1.903986 5.470056\n1.903986 1.903986 -5.470056\nSi As\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750003 0.250000 0.500003 As\n0.250000 0.750003 0.500003 As\n0.499999 0.499999 0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"As"
],
"chemical_system": "As-Si",
"density": 5.293382844510383,
"density_atomic": 0.050429042951069314,
"volume": 79.31937165417062,
"volume_molar": 11.94181052740424,
"formula_full": "Si1 As3",
"formula_reduced": "SiAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6537059625,
"spacegroup": 139
},
{
"id": "jvasp-118363",
"created_at": "2022-09-04T14:38:33.040536Z",
"updated_at": "2022-09-04T14:38:33.040573Z",
"structure_string": "Ca1 Al1 N2\n1.0\n1.573286 0.908337 5.257450\n-1.573286 0.908337 5.257450\n0.000000 -1.816674 5.257450\nCa Al N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.499998 Al\n0.233120 0.233120 0.233119 N\n0.766881 0.766881 0.766877 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"N"
],
"chemical_system": "Al-Ca-N",
"density": 3.502070870803258,
"density_atomic": 0.08873172136392231,
"volume": 45.07970699220957,
"volume_molar": 6.786908523166057,
"formula_full": "Ca1 Al1 N2",
"formula_reduced": "CaAlN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.65370493,
"spacegroup": 166
}
]
}