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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=943",
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"results": [
{
"id": "jvasp-11166",
"created_at": "2022-09-04T14:37:20.035177Z",
"updated_at": "2022-09-04T14:37:20.035204Z",
"structure_string": "Cd2 Rh4 O8\n1.0\n5.427583 0.000000 3.133616\n1.809194 5.117175 3.133616\n0.000000 0.000000 6.267234\nCd Rh O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Cd\n0.874999 0.874999 0.875001 Cd\n0.500000 -0.000000 0.500000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.499999 0.500000 0.000001 Rh\n0.499999 0.500000 0.500001 Rh\n0.731529 0.731529 0.731530 O\n0.268470 0.268470 0.694587 O\n0.268470 0.694586 0.268472 O\n0.694586 0.268470 0.268471 O\n0.731529 0.305413 0.731530 O\n0.305413 0.731529 0.731530 O\n0.268470 0.268470 0.268471 O\n0.731529 0.731529 0.305414 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"Rh",
"O"
],
"chemical_system": "Cd-O-Rh",
"density": 7.2925496315807985,
"density_atomic": 0.08042950250874023,
"volume": 174.0654804930396,
"volume_molar": 7.487477321329419,
"formula_full": "Cd2 Rh4 O8",
"formula_reduced": "Cd(RhO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.06265425,
"spacegroup": 227
},
{
"id": "jvasp-86104",
"created_at": "2022-09-04T14:35:53.060344Z",
"updated_at": "2022-09-04T14:35:53.060356Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.369767 0.000000 0.000000\n-3.184884 5.516381 -0.000000\n-0.000000 -0.000000 6.674365\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.500121 Cd\n0.333333 0.666667 0.499880 Cd\n0.000000 0.000000 0.000000 Ru\n0.250127 0.000066 0.183222 C\n0.000066 0.749939 0.816778 C\n0.749940 0.749873 0.183222 C\n0.749874 0.999934 0.816778 C\n0.999935 0.250061 0.183222 C\n0.250061 0.250127 0.816778 C\n0.385715 0.385789 0.696121 N\n0.999927 0.385714 0.303880 N\n0.614286 0.614211 0.303880 N\n0.385789 0.000073 0.303880 N\n0.000073 0.614285 0.696121 N\n0.614212 0.999927 0.696121 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Ru",
"C",
"N"
],
"chemical_system": "C-Cd-N-Ru",
"density": 3.412755209877636,
"density_atomic": 0.06395927104562035,
"volume": 234.52424886614045,
"volume_molar": 9.415586922034453,
"formula_full": "Cd2 Ru1 C6 N6",
"formula_reduced": "Cd2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.627499299999999,
"spacegroup": 162
},
{
"id": "jvasp-86704",
"created_at": "2022-09-04T14:35:42.101491Z",
"updated_at": "2022-09-04T14:35:42.101512Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.370397 -0.000000 -0.000000\n-3.185198 5.516925 0.000000\n-0.000000 0.000000 6.672942\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.499983 Cd\n0.333333 0.666668 0.500017 Cd\n0.000000 0.000000 0.000000 Ru\n0.250095 0.000002 0.183218 C\n0.000002 0.749908 0.816782 C\n0.749908 0.749905 0.183218 C\n0.749905 -0.000002 0.816782 C\n-0.000002 0.250093 0.183218 C\n0.250093 0.250095 0.816782 C\n0.385775 0.385776 0.696140 N\n0.999999 0.385775 0.303860 N\n0.614226 0.614224 0.303860 N\n0.385776 0.000001 0.303860 N\n0.000001 0.614226 0.696140 N\n0.614224 1.000000 0.696140 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Ru",
"C",
"N"
],
"chemical_system": "C-Cd-N-Ru",
"density": 3.412808845815018,
"density_atomic": 0.06396027624969913,
"volume": 234.5205630669952,
"volume_molar": 9.415438946026017,
"formula_full": "Cd2 Ru1 C6 N6",
"formula_reduced": "Cd2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.627496633333333,
"spacegroup": 162
},
{
"id": "jvasp-95",
"created_at": "2022-09-04T14:37:42.971596Z",
"updated_at": "2022-09-04T14:37:42.971626Z",
"structure_string": "Cd2 S2\n1.0\n2.088763 -3.617842 0.000000\n2.088763 3.617842 0.000000\n0.000000 0.000000 6.819638\nCd S\n2 2\ndirect\n0.666666 0.333332 0.500710 Cd\n0.333332 0.666666 0.000709 Cd\n0.666666 0.333332 0.876291 S\n0.333332 0.666666 0.376291 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"S"
],
"chemical_system": "Cd-S",
"density": 4.655268369203586,
"density_atomic": 0.03880877295136609,
"volume": 103.0694787751386,
"volume_molar": 15.517472731092928,
"formula_full": "Cd2 S2",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0001299999999999,
"spacegroup": 186
},
{
"id": "jvasp-102912",
"created_at": "2022-09-04T14:38:39.629660Z",
"updated_at": "2022-09-04T14:38:39.629680Z",
"structure_string": "Cd2 S2\n1.0\n3.880404 0.000000 0.000000\n0.000000 3.880300 0.000000\n0.000000 0.000000 5.487704\nCd S\n2 2\ndirect\n0.250050 0.500000 0.500000 Cd\n0.749949 0.000000 0.000000 Cd\n0.249950 0.500000 0.000000 S\n0.750049 0.000000 0.500000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"S"
],
"chemical_system": "Cd-S",
"density": 5.806866970480671,
"density_atomic": 0.04840910640232866,
"volume": 82.6290815359398,
"volume_molar": 12.440098996973662,
"formula_full": "Cd2 S2",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0365749999999999,
"spacegroup": 225
},
{
"id": "jvasp-115826",
"created_at": "2022-09-04T14:38:29.609533Z",
"updated_at": "2022-09-04T14:38:29.609562Z",
"structure_string": "Cd2 S2 F2\n1.0\n3.955758 0.000000 0.000000\n0.000000 3.955758 -0.000000\n-0.000000 0.000000 7.124923\nCd S F\n2 2 2\ndirect\n0.500001 0.000000 0.175713 Cd\n0.000000 0.500001 0.824286 Cd\n0.500001 0.000000 0.514775 S\n0.000000 0.500001 0.485225 S\n0.500001 0.500001 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cd",
"S",
"F"
],
"chemical_system": "Cd-F-S",
"density": 4.8695546964042125,
"density_atomic": 0.05381602854580608,
"volume": 111.4909472536242,
"volume_molar": 11.190236297117671,
"formula_full": "Cd2 S2 F2",
"formula_reduced": "CdSF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.152931083333333,
"spacegroup": 129
},
{
"id": "jvasp-9732",
"created_at": "2022-09-04T14:36:53.227523Z",
"updated_at": "2022-09-04T14:36:53.227555Z",
"structure_string": "Cd2 S2 O8\n1.0\n4.731144 0.000000 0.000000\n0.000000 4.770335 0.000000\n0.000000 0.000000 6.599526\nCd S O\n2 2 8\ndirect\n0.859819 0.751451 0.500000 Cd\n0.140180 0.251450 0.000000 Cd\n0.337264 0.231104 0.500000 S\n0.662735 0.731105 0.000000 S\n0.802341 0.599790 0.820651 O\n0.197658 0.099789 0.679350 O\n0.197658 0.099789 0.320651 O\n0.802341 0.599790 0.179350 O\n0.355862 0.673695 0.000000 O\n0.644137 0.173694 0.500000 O\n0.698980 0.039774 0.000000 O\n0.301019 0.539775 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-S",
"density": 4.648387980364564,
"density_atomic": 0.0805663069123037,
"volume": 148.9456381941645,
"volume_molar": 7.474763323277424,
"formula_full": "Cd2 S2 O8",
"formula_reduced": "CdSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.543630625,
"spacegroup": 31
},
{
"id": "jvasp-10249",
"created_at": "2022-09-04T14:38:13.114401Z",
"updated_at": "2022-09-04T14:38:13.114435Z",
"structure_string": "Cd2 S2 O8\n1.0\n4.916477 0.017465 -0.000000\n-1.973843 4.502888 -0.000000\n0.000000 -0.000000 7.191828\nCd S O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.637546 0.362456 0.250000 S\n0.362456 0.637546 0.750000 S\n0.244308 0.303532 0.750000 O\n0.755693 0.696470 0.250000 O\n0.303532 0.244308 0.250000 O\n0.696470 0.755693 0.750000 O\n0.267220 0.732781 0.922190 O\n0.732782 0.267220 0.422190 O\n0.732782 0.267220 0.077810 O\n0.267220 0.732781 0.577810 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-S",
"density": 4.341801514586518,
"density_atomic": 0.07525252084251538,
"volume": 159.46309659330862,
"volume_molar": 8.002576780919842,
"formula_full": "Cd2 S2 O8",
"formula_reduced": "CdSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5447989583333332,
"spacegroup": 63
},
{
"id": "jvasp-29474",
"created_at": "2022-09-04T14:38:06.330243Z",
"updated_at": "2022-09-04T14:38:06.330265Z",
"structure_string": "Cd2 Sb2 S4 Br2\n1.0\n3.980238 0.000000 -0.000000\n-1.990120 6.522275 -0.144115\n-0.000000 -0.028201 9.662690\nCd Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.283842 0.567684 0.689244 Sb\n0.716158 0.432317 0.310756 Sb\n0.915266 0.830532 0.741328 S\n0.353781 0.707562 0.447565 S\n0.646220 0.292439 0.552434 S\n0.084735 0.169469 0.258672 S\n0.362853 0.725707 0.075578 Br\n0.637147 0.274294 0.924422 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Sb",
"S",
"Br"
],
"chemical_system": "Br-Cd-S-Sb",
"density": 5.007583183393937,
"density_atomic": 0.03986775797283032,
"volume": 250.82925422630865,
"volume_molar": 15.105290756766555,
"formula_full": "Cd2 Sb2 S4 Br2",
"formula_reduced": "CdSbS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6117079910000002,
"spacegroup": 12
},
{
"id": "jvasp-29543",
"created_at": "2022-09-04T14:38:01.590556Z",
"updated_at": "2022-09-04T14:38:01.590583Z",
"structure_string": "Cd2 Sb4 Se6 Br4\n1.0\n4.028155 -0.000000 0.700091\n1.297396 9.728539 4.473659\n0.025315 -0.011317 11.792903\nCd Sb Se Br\n2 4 6 4\ndirect\n0.350683 0.846438 0.452196 Cd\n0.649318 0.153562 0.547803 Cd\n0.046400 0.688081 0.219121 Sb\n0.953601 0.311919 0.780879 Sb\n0.704923 0.683667 0.906487 Sb\n0.295078 0.316333 0.093513 Sb\n0.460656 0.864109 0.214582 Se\n0.900274 0.172034 0.027421 Se\n0.539345 0.135891 0.785417 Se\n0.678201 0.503410 0.140192 Se\n0.099727 0.827966 0.972579 Se\n0.321800 0.496590 0.859808 Se\n0.101987 0.342103 0.453922 Br\n0.898014 0.657897 0.546078 Br\n0.213496 0.923419 0.649590 Br\n0.786505 0.076581 0.350410 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"Sb",
"Se",
"Br"
],
"chemical_system": "Br-Cd-Sb-Se",
"density": 5.408287678178538,
"density_atomic": 0.034619875054783415,
"volume": 462.16226877425675,
"volume_molar": 17.395038978247044,
"formula_full": "Cd2 Sb4 Se6 Br4",
"formula_reduced": "CdSb2Se3Br2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.7118487825000002,
"spacegroup": 12
},
{
"id": "jvasp-110408",
"created_at": "2022-09-04T14:38:38.559455Z",
"updated_at": "2022-09-04T14:38:38.559483Z",
"structure_string": "Cd2 Sb6\n1.0\n6.773417 -0.000000 -0.000000\n-3.386710 5.865952 0.000000\n-0.000000 0.000000 5.478803\nCd Sb\n2 6\ndirect\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n0.173328 0.346654 0.250000 Sb\n0.653346 0.826672 0.250000 Sb\n0.173328 0.826672 0.250000 Sb\n0.826672 0.653345 0.750000 Sb\n0.346655 0.173328 0.750000 Sb\n0.826673 0.173328 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Sb"
],
"chemical_system": "Cd-Sb",
"density": 7.2877614572193545,
"density_atomic": 0.036750054186362645,
"volume": 217.68675385977176,
"volume_molar": 16.386753416637735,
"formula_full": "Cd2 Sb6",
"formula_reduced": "CdSb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8448230500000001,
"spacegroup": 194
},
{
"id": "jvasp-113112",
"created_at": "2022-09-04T14:38:44.621490Z",
"updated_at": "2022-09-04T14:38:44.621516Z",
"structure_string": "Cd2 Sb6 S11\n1.0\n3.852975 0.000000 0.000000\n0.000000 9.701295 0.634203\n0.000000 0.144060 12.840625\nCd Sb S\n2 6 11\ndirect\n0.500001 0.756939 0.268156 Cd\n-0.000000 0.280779 0.774085 Cd\n0.500001 0.225240 0.219984 Sb\n-0.000000 0.732351 0.722453 Sb\n-0.000000 0.566615 0.034874 Sb\n0.500001 0.471657 0.491516 Sb\n-0.000000 0.088265 0.493304 Sb\n0.500001 0.027976 0.953423 Sb\n-0.000000 0.316284 0.382392 S\n-0.000000 0.000336 0.819132 S\n0.500001 0.016478 0.345835 S\n0.500001 0.211163 0.601588 S\n0.500001 0.814687 0.604752 S\n0.500001 0.283363 0.909361 S\n-0.000000 0.663202 0.393502 S\n0.500001 0.642035 0.911116 S\n-0.000000 0.119010 0.119437 S\n-0.000000 0.783019 0.118004 S\n-0.000000 0.493600 0.644881 S\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Cd",
"Sb",
"S"
],
"chemical_system": "Cd-S-Sb",
"density": 4.52893013870578,
"density_atomic": 0.03961504698362874,
"volume": 479.61573812728057,
"volume_molar": 15.20164992480938,
"formula_full": "Cd2 Sb6 S11",
"formula_reduced": "Cd2Sb6S11",
"formula_anonymous": "A2B6C11",
"energy_above_hull": 1.7551161105263158,
"spacegroup": 6
}
]
}