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=nsites&page=3658",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3656",
"results": [
{
"id": "jvasp-59896",
"created_at": "2022-09-04T14:37:02.731851Z",
"updated_at": "2022-09-04T14:37:02.731874Z",
"structure_string": "Y2 Co4 S8\n1.0\n6.887297 -0.120065 -0.177575\n-3.272315 -6.102641 0.055693\n-3.292316 1.537139 -5.894911\nY Co S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.500001 Y\n-0.000000 -0.000000 0.500000 Co\n0.500001 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.063385 0.775072 0.319156 S\n0.009730 0.742475 0.727471 S\n0.436624 0.180850 0.724941 S\n0.509750 0.227472 0.242482 S\n0.563378 0.819151 0.275061 S\n0.990271 0.257526 0.272530 S\n0.490251 0.772529 0.757519 S\n0.936616 0.224929 0.680845 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Co",
"S"
],
"chemical_system": "Co-S-Y",
"density": 4.380985304021266,
"density_atomic": 0.055123164039966366,
"volume": 253.97671276361194,
"volume_molar": 10.92488224303257,
"formula_full": "Y2 Co4 S8",
"formula_reduced": "Y(CoS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6464638928571427,
"spacegroup": 15
},
{
"id": "jvasp-48309",
"created_at": "2022-09-04T14:37:02.764129Z",
"updated_at": "2022-09-04T14:37:02.764139Z",
"structure_string": "Li2 Ni3 Te1 O8\n1.0\n-5.082829 -1.285954 2.455010\n5.297370 -1.682370 2.667252\n3.324584 3.903525 2.688036\nLi Ni Te O\n2 3 1 8\ndirect\n0.500000 0.500000 0.500000 Li\n-0.000000 0.500000 -0.000000 Li\n0.500001 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Te\n0.746899 0.311339 0.253102 O\n0.771204 0.232518 0.756567 O\n0.243433 0.232518 0.228797 O\n0.753817 0.742898 0.246184 O\n0.246184 0.257102 0.753817 O\n0.756568 0.767482 0.771203 O\n0.228797 0.767482 0.243433 O\n0.253102 0.688661 0.746898 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Te",
"O"
],
"chemical_system": "Li-Ni-O-Te",
"density": 5.022440436742295,
"density_atomic": 0.09503642087623819,
"volume": 147.31194494615482,
"volume_molar": 6.336666200679392,
"formula_full": "Li2 Ni3 Te1 O8",
"formula_reduced": "Li2Ni3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.093194497619048,
"spacegroup": 12
},
{
"id": "jvasp-43193",
"created_at": "2022-09-04T14:37:01.806236Z",
"updated_at": "2022-09-04T14:37:01.806264Z",
"structure_string": "Li2 V3 Cu1 O8\n1.0\n5.917422 0.096380 0.068151\n3.042178 5.076448 0.068151\n3.042178 1.756402 4.763404\nLi V Cu O\n2 3 1 8\ndirect\n0.123616 0.123616 0.123616 Li\n0.498676 0.498676 0.498675 Li\n0.000632 0.501085 0.501084 V\n0.501085 0.000631 0.501084 V\n0.501085 0.501085 0.000631 V\n0.876438 0.876438 0.876437 Cu\n0.260115 0.260115 0.260115 O\n0.249237 0.249236 0.713377 O\n0.249237 0.713378 0.249236 O\n0.713377 0.249236 0.249236 O\n0.288756 0.747464 0.747463 O\n0.747464 0.288756 0.747463 O\n0.747464 0.747464 0.288755 O\n0.742826 0.742825 0.742824 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O-V",
"density": 4.239577728727271,
"density_atomic": 0.09977417132294701,
"volume": 140.31687574417515,
"volume_molar": 6.035771262391803,
"formula_full": "Li2 V3 Cu1 O8",
"formula_reduced": "Li2V3CuO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.780053646428572,
"spacegroup": 160
},
{
"id": "jvasp-58223",
"created_at": "2022-09-04T14:37:01.799567Z",
"updated_at": "2022-09-04T14:37:01.799579Z",
"structure_string": "Ba1 Mn4 Zn1 O8\n1.0\n2.705146 -4.685449 0.000000\n2.705146 4.685449 0.000000\n0.000000 -0.000000 7.122757\nBa Mn Zn O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666668 0.737696 Mn\n0.666668 0.333334 0.737696 Mn\n0.333334 0.666668 0.262304 Mn\n0.666668 0.333334 0.262304 Mn\n0.000000 0.000000 0.500000 Zn\n0.316245 0.316245 0.679975 O\n0.683756 0.000000 0.679975 O\n0.000000 0.683756 0.679975 O\n0.683757 0.683757 0.320026 O\n0.000000 0.316245 0.320026 O\n0.316245 0.000000 0.320026 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Zn",
"O"
],
"chemical_system": "Ba-Mn-O-Zn",
"density": 5.062595870124398,
"density_atomic": 0.07753682033413536,
"volume": 180.5593773341327,
"volume_molar": 7.766814184600721,
"formula_full": "Ba1 Mn4 Zn1 O8",
"formula_reduced": "BaMn4ZnO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.908978095394088,
"spacegroup": 162
},
{
"id": "jvasp-13341",
"created_at": "2022-09-04T14:36:56.593402Z",
"updated_at": "2022-09-04T14:36:56.593421Z",
"structure_string": "Al4 Cd2 O8\n1.0\n5.976278 -0.000000 -0.000000\n2.988139 5.175608 0.000000\n2.988139 1.725202 4.879609\nAl Cd O\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.395350 0.395350 0.395350 O\n0.395350 0.395350 0.813951 O\n0.395350 0.813951 0.395350 O\n0.813952 0.395350 0.395350 O\n0.436049 0.854650 0.854650 O\n0.854651 0.436048 0.854650 O\n0.854651 0.854650 0.436049 O\n0.854651 0.854650 0.854650 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cd",
"O"
],
"chemical_system": "Al-Cd-O",
"density": 5.069101492771324,
"density_atomic": 0.09275788659631778,
"volume": 150.93056249683636,
"volume_molar": 6.4923220881566115,
"formula_full": "Al4 Cd2 O8",
"formula_reduced": "Al2CdO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.429572764285714,
"spacegroup": 227
},
{
"id": "jvasp-13086",
"created_at": "2022-09-04T14:37:01.787516Z",
"updated_at": "2022-09-04T14:37:01.787542Z",
"structure_string": "Si2 C4 N8\n1.0\n6.686863 -0.000000 0.000000\n-0.000000 6.686863 0.000000\n0.000000 0.000000 6.686863\nSi C N\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.250000 0.750000 0.750000 C\n0.750000 0.750000 0.250000 C\n0.250000 0.250000 0.250000 C\n0.750000 0.250000 0.750000 C\n0.645734 0.354266 0.645734 N\n0.145734 0.145734 0.145734 N\n0.354266 0.354266 0.354266 N\n0.854265 0.145734 0.854265 N\n0.854265 0.854265 0.145734 N\n0.145734 0.854265 0.854265 N\n0.645734 0.645734 0.354266 N\n0.354266 0.645734 0.645734 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Si",
"C",
"N"
],
"chemical_system": "C-N-Si",
"density": 1.201082612937018,
"density_atomic": 0.046823164225365865,
"volume": 298.9973068162633,
"volume_molar": 12.861456203631748,
"formula_full": "Si2 C4 N8",
"formula_reduced": "Si(CN2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.81612737142857,
"spacegroup": 224
},
{
"id": "jvasp-13339",
"created_at": "2022-09-04T14:36:56.030078Z",
"updated_at": "2022-09-04T14:36:56.030102Z",
"structure_string": "Nd4 Cd2 Se8\n1.0\n7.746365 0.184813 -0.000002\n-2.407878 7.364938 -0.000003\n-2.669245 -3.774879 6.218179\nNd Cd Se\n4 2 8\ndirect\n0.117155 0.750000 0.867156 Nd\n0.249999 0.617155 0.367156 Nd\n0.382844 0.250000 0.632845 Nd\n0.750000 0.882845 0.132845 Nd\n0.625000 0.375001 0.250001 Cd\n0.874999 0.124999 0.750000 Cd\n0.005466 0.879321 0.512836 Se\n0.992629 0.366485 0.487164 Se\n0.494532 0.007370 0.873856 Se\n0.120678 0.133515 0.126145 Se\n0.379322 0.505467 0.012837 Se\n0.633514 0.620679 0.626146 Se\n0.507369 0.994533 0.373856 Se\n0.866485 0.492630 0.987164 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"Se"
],
"chemical_system": "Cd-Nd-Se",
"density": 6.657837846002625,
"density_atomic": 0.03915827422383051,
"volume": 357.52341688950213,
"volume_molar": 15.378973867891023,
"formula_full": "Nd4 Cd2 Se8",
"formula_reduced": "Nd2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9166166023809524,
"spacegroup": 122
},
{
"id": "jvasp-13069",
"created_at": "2022-09-04T14:37:01.040861Z",
"updated_at": "2022-09-04T14:37:01.040881Z",
"structure_string": "Na6 B2 S6\n1.0\n6.057545 0.000000 2.633695\n2.418570 5.642105 2.720322\n-0.019179 0.028096 8.327188\nNa B S\n6 2 6\ndirect\n0.190065 0.193176 0.003795 Na\n0.612964 0.693177 0.503795 Na\n0.500000 0.500000 -0.000001 Na\n-0.000000 0.000000 0.500000 Na\n0.809935 0.806826 0.996204 Na\n0.387036 0.306825 0.496204 Na\n0.922989 0.250001 0.749999 B\n0.077011 0.750001 0.250000 B\n0.803538 0.023566 0.249142 S\n0.076245 0.476435 0.250857 S\n0.196462 0.976435 0.750857 S\n0.923755 0.523567 0.749142 S\n0.358895 0.750001 0.249999 S\n0.641105 0.250001 0.750000 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"B",
"S"
],
"chemical_system": "B-Na-S",
"density": 2.053492643734279,
"density_atomic": 0.04919153337124319,
"volume": 284.60182150337766,
"volume_molar": 12.242230211755253,
"formula_full": "Na6 B2 S6",
"formula_reduced": "Na3BS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.157522797619048,
"spacegroup": 15
},
{
"id": "jvasp-49880",
"created_at": "2022-09-04T14:36:44.202077Z",
"updated_at": "2022-09-04T14:36:44.202098Z",
"structure_string": "Na4 Be4 O6\n1.0\n0.000000 4.938602 0.009871\n5.256943 0.000000 0.000000\n0.000000 -2.108996 -4.924673\nNa Be O\n4 4 6\ndirect\n0.812351 0.374976 0.071671 Na\n0.812350 0.125024 0.571670 Na\n0.187648 0.874976 0.428329 Na\n0.187648 0.625023 0.928329 Na\n0.668539 0.602404 0.428779 Be\n0.331460 0.102404 0.071221 Be\n0.668538 0.897596 0.928779 Be\n0.331459 0.397596 0.571221 Be\n-0.000001 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.588839 0.852785 0.207614 O\n0.411160 0.352786 0.292386 O\n0.588839 0.647214 0.707614 O\n0.411159 0.147214 0.792385 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Be",
"O"
],
"chemical_system": "Be-Na-O",
"density": 2.9118062492732193,
"density_atomic": 0.10959361202122027,
"volume": 127.74467180887535,
"volume_molar": 5.494974249807509,
"formula_full": "Na4 Be4 O6",
"formula_reduced": "Na2Be2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.2098672428571429,
"spacegroup": 14
},
{
"id": "jvasp-50224",
"created_at": "2022-09-04T14:37:01.492480Z",
"updated_at": "2022-09-04T14:37:01.492511Z",
"structure_string": "Y4 Hg2 O8\n1.0\n0.000000 4.830570 4.830626\n4.830439 0.000000 4.830626\n-0.000000 4.830570 -4.830626\nY Hg O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 -0.000000 Y\n0.000000 0.500000 -0.000000 Y\n-0.000000 0.500000 0.500000 Y\n0.625000 0.250000 0.625000 Hg\n0.375000 0.750000 0.375000 Hg\n0.235093 0.029802 0.235091 O\n0.235105 0.029800 0.794710 O\n0.235090 0.470200 0.235094 O\n0.794711 0.470198 0.235104 O\n0.764910 0.529800 0.764905 O\n0.205289 0.529802 0.764895 O\n0.764907 0.970198 0.764908 O\n0.764896 0.970200 0.205290 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Hg",
"O"
],
"chemical_system": "Hg-O-Y",
"density": 6.517411342085304,
"density_atomic": 0.062102580077534546,
"volume": 225.4334680221195,
"volume_molar": 9.697086260315446,
"formula_full": "Y4 Hg2 O8",
"formula_reduced": "Y2HgO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.8543456428571423,
"spacegroup": 227
},
{
"id": "jvasp-58596",
"created_at": "2022-09-04T14:37:05.576208Z",
"updated_at": "2022-09-04T14:37:05.576240Z",
"structure_string": "Zn2 Ni4 O8\n1.0\n5.851872 -0.017216 -0.017187\n2.911026 5.076477 -0.017187\n2.906932 1.678319 4.747001\nZn Ni O\n2 4 8\ndirect\n0.125000 0.625001 0.624999 Zn\n0.625000 0.125000 0.624999 Zn\n0.996733 0.996733 0.003266 Ni\n0.253268 0.253268 0.246732 Ni\n0.625000 0.625000 0.124999 Ni\n0.625000 0.625000 0.624999 Ni\n0.393715 0.393715 0.365073 O\n0.405998 0.857267 0.368367 O\n0.393715 0.393715 0.847497 O\n0.857267 0.405998 0.368367 O\n0.392734 0.844003 0.881631 O\n0.844002 0.392734 0.881631 O\n0.856286 0.856285 0.402501 O\n0.856285 0.856285 0.884926 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zn",
"density": 5.788446694666971,
"density_atomic": 0.09887293806220668,
"volume": 141.59587319223579,
"volume_molar": 6.090787709991103,
"formula_full": "Zn2 Ni4 O8",
"formula_reduced": "Zn(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5048741714285714,
"spacegroup": 74
},
{
"id": "jvasp-101885",
"created_at": "2022-09-04T14:36:55.491499Z",
"updated_at": "2022-09-04T14:36:55.491519Z",
"structure_string": "Sn1 H4 C3 O6\n1.0\n4.732252 0.076801 -0.250544\n-0.059077 5.380664 -1.591464\n0.016835 -0.204433 5.712492\nSn H C O\n1 4 3 6\ndirect\n0.294138 0.932431 0.074665 Sn\n0.765029 0.192556 0.729938 H\n0.468678 0.367452 0.657935 H\n0.397574 0.608250 0.289400 H\n0.245008 0.950670 0.645629 H\n0.844039 0.574608 0.821756 C\n0.787980 0.256591 0.388118 C\n0.697927 0.344043 0.652765 C\n0.355632 0.789372 0.352456 O\n0.191281 0.069389 0.808443 O\n0.113037 0.578815 0.839328 O\n0.705135 0.761793 0.953658 O\n0.596323 0.238966 0.216701 O\n0.045233 0.201966 0.347565 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.938722693590205,
"density_atomic": 0.09724982189888008,
"volume": 143.9591325376116,
"volume_molar": 6.19244399877852,
"formula_full": "Sn1 H4 C3 O6",
"formula_reduced": "SnH4(CO2)3",
"formula_anonymous": "AB3C4D6",
"energy_above_hull": 3.7528123357142857,
"spacegroup": 1
}
]
}