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=526",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=524",
"results": [
{
"id": "jvasp-14327",
"created_at": "2022-09-04T14:38:11.956768Z",
"updated_at": "2022-09-04T14:38:11.956790Z",
"structure_string": "Nb4 Se4 Br12\n1.0\n0.000000 6.611502 0.091927\n6.941678 0.000000 0.000000\n0.000000 -1.845256 -12.506862\nNb Se Br\n4 4 12\ndirect\n0.071686 0.642251 0.149592 Nb\n0.928313 0.642251 0.350408 Nb\n0.928313 0.357750 0.850407 Nb\n0.071686 0.357750 0.649592 Nb\n0.166040 0.083597 0.800281 Se\n0.166041 0.916403 0.300281 Se\n0.833959 0.916403 0.199719 Se\n0.833958 0.083597 0.699719 Se\n0.158275 0.687862 0.543843 Br\n0.158275 0.312138 0.043843 Br\n0.257237 0.564961 0.807333 Br\n0.742762 0.564961 0.692667 Br\n0.742762 0.435039 0.192667 Br\n0.634368 0.798883 0.426649 Br\n0.365631 0.201118 0.573350 Br\n0.634368 0.201118 0.926649 Br\n0.841724 0.687862 0.956157 Br\n0.365631 0.798883 0.073351 Br\n0.257237 0.435039 0.307333 Br\n0.841724 0.312138 0.456157 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Se",
"Br"
],
"chemical_system": "Br-Nb-Se",
"density": 4.772440414805194,
"density_atomic": 0.03491474449727133,
"volume": 572.8238968371384,
"volume_molar": 17.24813068722483,
"formula_full": "Nb4 Se4 Br12",
"formula_reduced": "NbSeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.241269016333333,
"spacegroup": 13
},
{
"id": "jvasp-37759",
"created_at": "2022-09-04T14:37:57.979842Z",
"updated_at": "2022-09-04T14:37:57.979857Z",
"structure_string": "K1 Ca1 O3\n1.0\n4.525302 -0.000000 0.000000\n0.000000 4.525320 0.000000\n0.000000 0.000000 4.525356\nK Ca O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ca",
"O"
],
"chemical_system": "Ca-K-O",
"density": 2.278764913186026,
"density_atomic": 0.053953595535653064,
"volume": 92.6722297255602,
"volume_molar": 11.161704239007593,
"formula_full": "K1 Ca1 O3",
"formula_reduced": "KCaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9954497839999996,
"spacegroup": 221
},
{
"id": "jvasp-46422",
"created_at": "2022-09-04T14:38:09.635068Z",
"updated_at": "2022-09-04T14:38:09.635086Z",
"structure_string": "Sc2 Fe2 O6\n1.0\n1.646924 -2.852556 -0.000000\n1.646924 2.852556 0.000000\n-0.000000 -0.000000 11.559260\nSc Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.250008 Sc\n0.000000 0.000000 0.749992 Sc\n0.333332 0.666666 0.000000 Fe\n0.666666 0.333332 0.500000 Fe\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.333332 0.666666 0.834795 O\n0.333332 0.666666 0.165205 O\n0.666666 0.333332 0.665202 O\n0.666666 0.333332 0.334798 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sc",
"density": 4.550002833745089,
"density_atomic": 0.09207298741366454,
"volume": 108.60948776509342,
"volume_molar": 6.5406162319289045,
"formula_full": "Sc2 Fe2 O6",
"formula_reduced": "ScFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.31590225,
"spacegroup": 194
},
{
"id": "jvasp-108696",
"created_at": "2022-09-04T14:38:11.509696Z",
"updated_at": "2022-09-04T14:38:11.509720Z",
"structure_string": "Yb2 Tl2 Br6\n1.0\n7.274570 0.034543 0.000000\n-6.069962 4.009505 0.000000\n-0.000000 -0.000000 10.845157\nYb Tl Br\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.256504 0.743494 0.250000 Tl\n0.743494 0.256504 0.750000 Tl\n0.635954 0.364044 0.048689 Br\n0.364044 0.635954 0.951311 Br\n0.364044 0.635954 0.548689 Br\n0.635954 0.364044 0.451311 Br\n0.937570 0.062428 0.250000 Br\n0.062428 0.937570 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Tl",
"Br"
],
"chemical_system": "Br-Tl-Yb",
"density": 6.4330173742538985,
"density_atomic": 0.03138739280727458,
"volume": 318.5992561217867,
"volume_molar": 19.186495663966912,
"formula_full": "Yb2 Tl2 Br6",
"formula_reduced": "YbTlBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-57101",
"created_at": "2022-09-04T14:38:16.630511Z",
"updated_at": "2022-09-04T14:38:16.630539Z",
"structure_string": "In4 Bi4 O12\n1.0\n5.663693 0.000000 0.000000\n-0.000000 6.075817 0.000000\n0.000000 0.000000 8.176873\nIn Bi O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.011736 0.952550 0.250000 Bi\n0.988263 0.047450 0.750000 Bi\n0.488263 0.452550 0.250000 Bi\n0.511736 0.547451 0.750000 Bi\n0.131044 0.450720 0.750000 O\n0.327184 0.684564 0.057507 O\n0.672815 0.315436 0.557506 O\n0.172815 0.184564 0.442493 O\n0.631044 0.049280 0.250000 O\n0.868956 0.549281 0.250000 O\n0.827184 0.815437 0.942493 O\n0.172815 0.184564 0.057507 O\n0.827184 0.815437 0.557506 O\n0.368956 0.950720 0.750000 O\n0.327184 0.684564 0.442493 O\n0.672815 0.315436 0.942493 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"In",
"Bi",
"O"
],
"chemical_system": "Bi-In-O",
"density": 8.776530392201629,
"density_atomic": 0.07107851635076984,
"volume": 281.37897394060315,
"volume_molar": 8.47251893987342,
"formula_full": "In4 Bi4 O12",
"formula_reduced": "InBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3219249539999998,
"spacegroup": 62
},
{
"id": "jvasp-46185",
"created_at": "2022-09-04T14:38:11.443054Z",
"updated_at": "2022-09-04T14:38:11.443074Z",
"structure_string": "Sc4 Co4 O12\n1.0\n4.917459 -0.000000 0.000000\n0.000000 5.330895 0.000000\n0.000000 0.000000 7.176957\nSc Co O\n4 4 12\ndirect\n0.031084 0.915733 0.750000 Sc\n0.468916 0.415734 0.750000 Sc\n0.531085 0.584265 0.250000 Sc\n0.968916 0.084266 0.250000 Sc\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.817940 0.808297 0.065073 O\n0.682060 0.308297 0.065073 O\n0.682060 0.308297 0.434927 O\n0.633236 0.049833 0.750000 O\n0.366764 0.950166 0.250000 O\n0.182060 0.191702 0.565074 O\n0.317940 0.691702 0.934927 O\n0.182060 0.191702 0.934927 O\n0.817940 0.808297 0.434927 O\n0.133236 0.450166 0.250000 O\n0.317940 0.691702 0.565074 O\n0.866764 0.549833 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"Co",
"O"
],
"chemical_system": "Co-O-Sc",
"density": 5.3622783065820645,
"density_atomic": 0.10630379656310317,
"volume": 188.14003494341586,
"volume_molar": 5.665028865102844,
"formula_full": "Sc4 Co4 O12",
"formula_reduced": "ScCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.29811133,
"spacegroup": 62
},
{
"id": "jvasp-5752",
"created_at": "2022-09-04T14:38:11.394645Z",
"updated_at": "2022-09-04T14:38:11.394671Z",
"structure_string": "Tl2 Sb2 O6\n1.0\n5.009474 -0.049637 5.897459\n2.132519 4.533169 5.897462\n-0.079072 -0.049644 7.737480\nTl Sb O\n2 2 6\ndirect\n0.624626 0.624627 0.624626 Tl\n0.375373 0.375374 0.375373 Tl\n0.833598 0.833599 0.833598 Sb\n0.166401 0.166402 0.166401 Sb\n0.829912 0.447270 0.063504 O\n0.447270 0.063504 0.829912 O\n0.063504 0.829913 0.447269 O\n0.170087 0.552731 0.936495 O\n0.936496 0.170087 0.552730 O\n0.552730 0.936496 0.170087 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tl",
"density": 6.922023232829099,
"density_atomic": 0.05570806535293822,
"volume": 179.50722102167865,
"volume_molar": 10.810177524289799,
"formula_full": "Tl2 Sb2 O6",
"formula_reduced": "TlSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.47509984,
"spacegroup": 148
},
{
"id": "jvasp-44524",
"created_at": "2022-09-04T14:38:09.756535Z",
"updated_at": "2022-09-04T14:38:09.756554Z",
"structure_string": "Sn4 B4 O12\n1.0\n5.138182 0.000779 -0.324148\n2.557268 4.456601 0.324148\n-0.731216 1.262409 12.793928\nSn B O\n4 4 12\ndirect\n0.152841 0.625512 0.361901 Sn\n0.454704 0.112062 0.127747 Sn\n0.374487 0.847159 0.861901 Sn\n0.887938 0.545296 0.627747 Sn\n0.106102 0.454938 0.879602 B\n0.562864 0.204838 0.630655 B\n0.545062 0.893898 0.379602 B\n0.795162 0.437135 0.130654 B\n0.804402 0.174136 0.113594 O\n0.517347 0.696395 0.123965 O\n0.555012 0.939222 0.652166 O\n0.825863 0.195598 0.613594 O\n0.253629 0.972531 0.377762 O\n0.303604 0.482653 0.623965 O\n0.284389 0.205953 0.964568 O\n0.027469 0.746371 0.877762 O\n0.794047 0.715611 0.464568 O\n0.060778 0.444988 0.152166 O\n0.655199 0.963987 0.291790 O\n0.036012 0.344801 0.791790 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sn",
"B",
"O"
],
"chemical_system": "B-O-Sn",
"density": 4.083711964361433,
"density_atomic": 0.06926768563957972,
"volume": 288.73492473916224,
"volume_molar": 8.694011795536206,
"formula_full": "Sn4 B4 O12",
"formula_reduced": "SnBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1868769566666666,
"spacegroup": 9
},
{
"id": "jvasp-11684",
"created_at": "2022-09-04T14:38:09.784670Z",
"updated_at": "2022-09-04T14:38:09.784696Z",
"structure_string": "Ba3 Mn3 O9\n1.0\n5.306586 -0.002821 5.668511\n2.237378 4.811860 5.668511\n-0.004426 -0.002821 7.764783\nBa Mn O\n3 3 9\ndirect\n0.781744 0.781744 0.781743 Ba\n0.218256 0.218256 0.218256 Ba\n0.000000 0.000000 0.000000 Ba\n0.619044 0.619044 0.619043 Mn\n0.380956 0.380956 0.380956 Mn\n0.500000 0.500000 0.499999 Mn\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500001 0.500000 -0.000001 O\n0.294040 0.294041 0.736606 O\n0.294041 0.736606 0.294040 O\n0.736606 0.294041 0.294040 O\n0.705959 0.263394 0.705959 O\n0.705960 0.705960 0.263393 O\n0.263394 0.705960 0.705959 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 6.0300511729873545,
"density_atomic": 0.07557089509525737,
"volume": 198.48911384591185,
"volume_molar": 7.968862552718307,
"formula_full": "Ba3 Mn3 O9",
"formula_reduced": "BaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8953127422758624,
"spacegroup": 166
},
{
"id": "jvasp-112278",
"created_at": "2022-09-04T14:38:26.323503Z",
"updated_at": "2022-09-04T14:38:26.323520Z",
"structure_string": "Mn4 Ge4 O12\n1.0\n5.253685 -0.010775 0.789787\n0.957960 6.720122 0.472160\n-0.007705 0.022549 6.804417\nMn Ge O\n4 4 12\ndirect\n0.250000 0.905324 0.094676 Mn\n0.250001 0.276181 0.723819 Mn\n0.750001 0.094676 0.905325 Mn\n0.750001 0.723819 0.276182 Mn\n0.716932 0.608401 0.794059 Ge\n0.783070 0.205942 0.391599 Ge\n0.283069 0.391599 0.205941 Ge\n0.216932 0.794059 0.608402 Ge\n0.084464 0.292543 0.424135 O\n0.415537 0.575865 0.707458 O\n0.381527 0.858810 0.377007 O\n0.118474 0.622993 0.141190 O\n0.618475 0.141190 0.622993 O\n0.862362 0.025512 0.208977 O\n0.137639 0.974489 0.791024 O\n0.362362 0.208976 0.025511 O\n0.584464 0.424136 0.292543 O\n0.637640 0.791024 0.974489 O\n0.881528 0.377008 0.858811 O\n0.915537 0.707458 0.575865 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"O"
],
"chemical_system": "Ge-Mn-O",
"density": 4.853019796511769,
"density_atomic": 0.08322756969702867,
"volume": 240.3049863501424,
"volume_molar": 7.235752265652182,
"formula_full": "Mn4 Ge4 O12",
"formula_reduced": "MnGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.282798738275862,
"spacegroup": 15
},
{
"id": "jvasp-17806",
"created_at": "2022-09-04T14:38:11.346101Z",
"updated_at": "2022-09-04T14:38:11.346127Z",
"structure_string": "Ce1 Fe1 Ge3\n1.0\n3.996110 -0.000000 -1.595134\n-0.636733 3.945055 -1.595134\n0.009247 0.010858 5.826232\nCe Fe Ge\n1 1 3\ndirect\n0.326011 0.326011 0.652022 Ce\n0.000386 0.000386 0.000771 Fe\n0.589242 0.089241 0.178483 Ge\n0.773522 0.773522 0.547044 Ge\n0.089242 0.589242 0.178483 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Fe",
"Ge"
],
"chemical_system": "Ce-Fe-Ge",
"density": 7.471232712926753,
"density_atomic": 0.054354772342183055,
"volume": 91.98824288184268,
"volume_molar": 11.079322937990494,
"formula_full": "Ce1 Fe1 Ge3",
"formula_reduced": "CeFeGe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6065117699999996,
"spacegroup": 107
},
{
"id": "jvasp-13052",
"created_at": "2022-09-04T14:38:11.555374Z",
"updated_at": "2022-09-04T14:38:11.555400Z",
"structure_string": "Rb2 Mn2 Br6\n1.0\n3.715175 -6.434873 0.000000\n3.715175 6.434873 0.000000\n0.000000 0.000000 6.404964\nRb Mn Br\n2 2 6\ndirect\n0.333334 0.666668 0.750000 Rb\n0.666668 0.333334 0.250000 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.666968 0.833484 0.250000 Br\n0.833484 0.666968 0.750000 Br\n0.833484 0.166517 0.750000 Br\n0.166517 0.833484 0.250000 Br\n0.166517 0.333033 0.250000 Br\n0.333033 0.166517 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Br"
],
"chemical_system": "Br-Mn-Rb",
"density": 4.122222289050936,
"density_atomic": 0.03265382460175344,
"volume": 306.24284052358826,
"volume_molar": 18.442374923752805,
"formula_full": "Rb2 Mn2 Br6",
"formula_reduced": "RbMnBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4270487268505745,
"spacegroup": 194
}
]
}