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=elements&page=1263",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=1261",
"results": [
{
"id": "jvasp-57252",
"created_at": "2022-09-04T14:37:19.710538Z",
"updated_at": "2022-09-04T14:37:19.710548Z",
"structure_string": "Ba4 Cr4 F20\n1.0\n4.907834 0.000000 0.000000\n0.000000 5.741416 0.000000\n0.000000 0.000000 14.035339\nBa Cr F\n4 4 20\ndirect\n0.227835 0.658471 0.658388 Ba\n0.727835 0.841530 0.341612 Ba\n0.772164 0.158471 0.841613 Ba\n0.272164 0.341530 0.158388 Ba\n0.830992 0.145930 0.583902 Cr\n0.330992 0.354071 0.416098 Cr\n0.169008 0.645930 0.916099 Cr\n0.669007 0.854071 0.083902 Cr\n0.802847 0.602741 0.161618 F\n0.136080 0.151756 0.667315 F\n0.636079 0.348245 0.332685 F\n0.513252 0.126897 0.498565 F\n0.363920 0.848245 0.167315 F\n0.013253 0.373103 0.501435 F\n0.302847 0.897260 0.838382 F\n0.863919 0.651756 0.832685 F\n0.197152 0.102741 0.338382 F\n0.681045 0.922926 0.670077 F\n0.318954 0.422926 0.829923 F\n0.818953 0.077074 0.170077 F\n0.986746 0.873103 0.998565 F\n0.181046 0.577075 0.329923 F\n0.018754 0.396360 0.987351 F\n0.518753 0.103640 0.012649 F\n0.981245 0.896361 0.512649 F\n0.481246 0.603640 0.487351 F\n0.697152 0.397259 0.661618 F\n0.486747 0.626898 0.001435 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"F"
],
"chemical_system": "Ba-Cr-F",
"density": 4.7750426171279745,
"density_atomic": 0.07079885668019364,
"volume": 395.48661253781444,
"volume_molar": 8.505985890708212,
"formula_full": "Ba4 Cr4 F20",
"formula_reduced": "BaCrF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.1345763974999998,
"spacegroup": 19
},
{
"id": "jvasp-119946",
"created_at": "2022-09-04T14:38:54.355917Z",
"updated_at": "2022-09-04T14:38:54.355945Z",
"structure_string": "Ba1 Cr1 F2\n1.0\n3.813434 0.000000 0.000000\n0.000000 3.813434 -0.000000\n-0.000000 0.000000 5.479047\nBa Cr F\n1 1 2\ndirect\n0.499999 0.499999 0.823311 Ba\n0.000000 0.000000 0.384567 Cr\n0.000000 0.000000 0.992609 F\n0.499999 0.499999 0.299512 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"F"
],
"chemical_system": "Ba-Cr-F",
"density": 4.7374983467719,
"density_atomic": 0.05020217077546182,
"volume": 79.67782942874553,
"volume_molar": 11.995777606779399,
"formula_full": "Ba1 Cr1 F2",
"formula_reduced": "BaCrF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5794284837500001,
"spacegroup": 99
},
{
"id": "jvasp-119947",
"created_at": "2022-09-04T14:38:49.212436Z",
"updated_at": "2022-09-04T14:38:49.212462Z",
"structure_string": "Ba1 Cr1 F1\n1.0\n5.116681 -0.000000 -0.000000\n-2.558341 4.431176 0.000000\n-0.000000 0.000000 3.432621\nBa Cr F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666667 0.000000 Cr\n0.666667 0.333333 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"F"
],
"chemical_system": "Ba-Cr-F",
"density": 4.44477725266783,
"density_atomic": 0.03854677581598099,
"volume": 77.82752088843289,
"volume_molar": 15.62294285973277,
"formula_full": "Ba1 Cr1 F1",
"formula_reduced": "BaCrF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1669712174999995,
"spacegroup": 187
},
{
"id": "jvasp-66333",
"created_at": "2022-09-04T14:35:55.888031Z",
"updated_at": "2022-09-04T14:35:55.888057Z",
"structure_string": "Ba4 Cr1 Fe1\n1.0\n-0.000000 4.921395 4.921395\n4.921395 -0.000000 4.921395\n4.921395 4.921395 -0.000000\nBa Cr Fe\n4 1 1\ndirect\n0.123382 0.625540 0.625540 Ba\n0.625540 0.625540 0.625540 Ba\n0.625540 0.123382 0.625540 Ba\n0.625540 0.625540 0.123382 Ba\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Fe"
],
"chemical_system": "Ba-Cr-Fe",
"density": 4.577394549878457,
"density_atomic": 0.025168456567574424,
"volume": 238.39364102008747,
"volume_molar": 23.927334375197947,
"formula_full": "Ba4 Cr1 Fe1",
"formula_reduced": "Ba4CrFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5737977966666663,
"spacegroup": 216
},
{
"id": "jvasp-66373",
"created_at": "2022-09-04T14:35:45.795463Z",
"updated_at": "2022-09-04T14:35:45.795503Z",
"structure_string": "Ba1 Cr1 In1\n1.0\n0.000000 3.888962 3.888962\n3.888962 0.000000 3.888962\n3.888962 3.888962 0.000000\nBa Cr In\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"In"
],
"chemical_system": "Ba-Cr-In",
"density": 4.293318575160977,
"density_atomic": 0.02550293478527924,
"volume": 117.63352042650617,
"volume_molar": 23.613520603425183,
"formula_full": "Ba1 Cr1 In1",
"formula_reduced": "BaCrIn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4977844466666663,
"spacegroup": 216
},
{
"id": "jvasp-65550",
"created_at": "2022-09-04T14:36:10.388959Z",
"updated_at": "2022-09-04T14:36:10.388978Z",
"structure_string": "Ba2 Cr1 In1\n1.0\n0.000000 4.192615 4.192615\n4.192615 -0.000000 4.192615\n4.192615 4.192615 -0.000000\nBa Cr In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Cr\n0.500001 0.500001 0.500001 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"In"
],
"chemical_system": "Ba-Cr-In",
"density": 4.973515523960009,
"density_atomic": 0.027137825421753307,
"volume": 147.39574515774044,
"volume_molar": 22.190948119125036,
"formula_full": "Ba2 Cr1 In1",
"formula_reduced": "Ba2CrIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9971273275,
"spacegroup": 225
},
{
"id": "jvasp-69139",
"created_at": "2022-09-04T14:36:18.759523Z",
"updated_at": "2022-09-04T14:36:18.759543Z",
"structure_string": "Ba1 Cr1 In4\n1.0\n0.000000 4.290890 4.290890\n4.290890 -0.000000 4.290890\n4.290890 4.290890 0.000000\nBa Cr In\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Cr\n0.122390 0.625870 0.625870 In\n0.625870 0.625870 0.625870 In\n0.625870 0.122390 0.625870 In\n0.625870 0.625870 0.122390 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"In"
],
"chemical_system": "Ba-Cr-In",
"density": 6.816330213891194,
"density_atomic": 0.037973367386413465,
"volume": 158.00547628406395,
"volume_molar": 15.858853650557911,
"formula_full": "Ba1 Cr1 In4",
"formula_reduced": "BaCrIn4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5520755416666666,
"spacegroup": 216
},
{
"id": "jvasp-65333",
"created_at": "2022-09-04T14:36:20.245031Z",
"updated_at": "2022-09-04T14:36:20.245054Z",
"structure_string": "Ba1 Cr2 Mo1\n1.0\n3.355277 -0.000000 0.000000\n0.000000 3.355277 0.000000\n0.000000 -0.000000 7.526537\nBa Cr Mo\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.864627 Cr\n0.000000 0.000000 0.135373 Cr\n0.500000 0.500000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Mo"
],
"chemical_system": "Ba-Cr-Mo",
"density": 6.6093833548223735,
"density_atomic": 0.047207177047560216,
"volume": 84.73287856145446,
"volume_molar": 12.756833042426626,
"formula_full": "Ba1 Cr2 Mo1",
"formula_reduced": "BaCr2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.0062041675,
"spacegroup": 123
},
{
"id": "jvasp-63888",
"created_at": "2022-09-04T14:36:05.606489Z",
"updated_at": "2022-09-04T14:36:05.606516Z",
"structure_string": "Ba4 Cr1 Mo1\n1.0\n-0.000000 5.013673 5.013673\n5.013673 -0.000000 5.013673\n5.013673 5.013673 -0.000000\nBa Cr Mo\n4 1 1\ndirect\n0.124783 0.625072 0.625072 Ba\n0.625072 0.625072 0.625072 Ba\n0.625072 0.124783 0.625072 Ba\n0.625072 0.625072 0.124783 Ba\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Mo"
],
"chemical_system": "Ba-Cr-Mo",
"density": 4.5934176451716215,
"density_atomic": 0.023804180749540122,
"volume": 252.05656364023008,
"volume_molar": 25.298668428722724,
"formula_full": "Ba4 Cr1 Mo1",
"formula_reduced": "Ba4CrMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.045777863333333,
"spacegroup": 216
},
{
"id": "jvasp-21838",
"created_at": "2022-09-04T14:37:32.970171Z",
"updated_at": "2022-09-04T14:37:32.970200Z",
"structure_string": "Ba6 Cr2 N6\n1.0\n4.124857 -7.144461 0.000000\n4.124857 7.144461 0.000000\n0.000000 -0.000000 5.533085\nBa Cr N\n6 2 6\ndirect\n0.638904 0.913990 0.250000 Ba\n0.913990 0.275088 0.749999 Ba\n0.724913 0.638903 0.749999 Ba\n0.275088 0.361097 0.250000 Ba\n0.086011 0.724912 0.250000 Ba\n0.361097 0.086010 0.749999 Ba\n0.666667 0.333333 0.250000 Cr\n0.333333 0.666667 0.749999 Cr\n0.550072 0.868243 0.749999 N\n0.868242 0.318172 0.250000 N\n0.681829 0.550071 0.250000 N\n0.318171 0.449929 0.749999 N\n0.131758 0.681829 0.749999 N\n0.449929 0.131758 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"N"
],
"chemical_system": "Ba-Cr-N",
"density": 5.152897482297617,
"density_atomic": 0.04292915411326144,
"volume": 326.1187015952685,
"volume_molar": 14.028090896251022,
"formula_full": "Ba6 Cr2 N6",
"formula_reduced": "Ba3CrN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.0474407228571425,
"spacegroup": 176
},
{
"id": "jvasp-66563",
"created_at": "2022-09-04T14:36:17.591474Z",
"updated_at": "2022-09-04T14:36:17.591506Z",
"structure_string": "Ba4 Cr1 Ni1\n1.0\n0.000000 4.927406 4.927406\n4.927406 0.000000 4.927406\n4.927406 4.927406 0.000000\nBa Cr Ni\n4 1 1\ndirect\n0.123212 0.625596 0.625596 Ba\n0.625596 0.625596 0.625596 Ba\n0.625596 0.123212 0.625596 Ba\n0.625596 0.625596 0.123212 Ba\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Ni"
],
"chemical_system": "Ba-Cr-Ni",
"density": 4.580431031534625,
"density_atomic": 0.02507645900741074,
"volume": 239.26823154045974,
"volume_molar": 24.01511616221534,
"formula_full": "Ba4 Cr1 Ni1",
"formula_reduced": "Ba4CrNi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0778139466666663,
"spacegroup": 216
},
{
"id": "jvasp-96748",
"created_at": "2022-09-04T14:36:13.588877Z",
"updated_at": "2022-09-04T14:36:13.588907Z",
"structure_string": "Ba4 Cr4 O16\n1.0\n5.548128 0.000000 0.000000\n-0.000000 7.369234 0.000000\n0.000000 0.000000 9.173283\nBa Cr O\n4 4 16\ndirect\n0.250000 0.156059 0.183551 Ba\n0.750000 0.656059 0.316449 Ba\n0.250000 0.343941 0.683551 Ba\n0.750000 0.843940 0.816449 Ba\n0.250000 0.805596 0.557932 Cr\n0.750000 0.194403 0.442068 Cr\n0.750000 0.305596 0.942068 Cr\n0.250000 0.694403 0.057932 Cr\n0.250000 0.533547 0.183776 O\n0.750000 0.466453 0.816223 O\n0.750000 0.033547 0.316224 O\n0.250000 0.966453 0.683776 O\n0.507053 0.175998 0.918670 O\n0.750000 0.113808 0.610078 O\n0.250000 0.886192 0.389922 O\n0.007053 0.675997 0.581330 O\n0.507053 0.324002 0.418670 O\n0.992948 0.175998 0.918670 O\n0.492947 0.824002 0.081330 O\n0.992948 0.324002 0.418670 O\n0.492947 0.675997 0.581330 O\n0.007053 0.824002 0.081330 O\n0.750000 0.386192 0.110078 O\n0.250000 0.613808 0.889921 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"O"
],
"chemical_system": "Ba-Cr-O",
"density": 4.486277743954665,
"density_atomic": 0.06399081339634714,
"volume": 375.05383548336044,
"volume_molar": 9.41094579107783,
"formula_full": "Ba4 Cr4 O16",
"formula_reduced": "BaCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1887212283333333,
"spacegroup": 62
}
]
}