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=nelements&page=4145",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4143",
"results": [
{
"id": "jvasp-101830",
"created_at": "2022-09-04T14:36:38.541923Z",
"updated_at": "2022-09-04T14:36:38.541943Z",
"structure_string": "H14 C16 S2 N2\n1.0\n6.249302 0.082152 -0.229426\n-2.997568 6.024268 -0.374806\n-0.192560 0.132657 9.504110\nH C S N\n14 16 2 2\ndirect\n0.680835 0.337072 0.057473 H\n0.156450 0.131652 0.689601 H\n0.156449 0.131652 0.189601 H\n0.346900 0.250592 0.381679 H\n0.516245 0.649283 0.567989 H\n0.516245 0.649283 0.067989 H\n0.179730 0.560054 0.385583 H\n0.346900 0.250591 0.881679 H\n0.864594 0.234858 0.731864 H\n0.864593 0.234859 0.231864 H\n0.692136 -0.028102 0.793621 H\n0.692135 -0.028102 0.293621 H\n0.680836 0.337072 0.557473 H\n0.179731 0.560055 0.885583 H\n0.792912 0.056485 0.705689 C\n0.011144 0.842967 0.284657 C\n0.011146 0.842967 0.784657 C\n0.384830 0.116415 0.417861 C\n0.384829 0.116416 0.917860 C\n0.573272 0.165997 0.519507 C\n0.573271 0.165998 0.019507 C\n0.792916 0.056484 0.205689 C\n0.292554 0.730480 0.922627 C\n0.237791 0.897047 0.869740 C\n0.619581 -0.001353 0.576654 C\n0.619579 -0.001354 0.076654 C\n0.292555 0.730480 0.422628 C\n0.479483 0.779904 0.524570 C\n0.479482 0.779903 0.024569 C\n0.237789 0.897046 0.369739 C\n0.774016 0.606312 0.802245 S\n0.774017 0.606313 0.302245 S\n-0.001182 0.003691 0.206679 N\n-0.001182 0.003691 0.706678 N\n",
"nsites": 34,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.3754213229034546,
"density_atomic": 0.0943689806354327,
"volume": 360.2878803083524,
"volume_molar": 6.381483321585089,
"formula_full": "H14 C16 S2 N2",
"formula_reduced": "H7C8SN",
"formula_anonymous": "ABC7D8",
"energy_above_hull": 5.40474725,
"spacegroup": 1
},
{
"id": "jvasp-97596",
"created_at": "2022-09-04T14:36:12.186275Z",
"updated_at": "2022-09-04T14:36:12.186301Z",
"structure_string": "Ba4 V2 Si4 O16\n1.0\n5.255267 0.000000 0.000000\n0.000000 8.548265 0.000000\n0.000000 0.000000 8.548265\nBa V Si O\n4 2 4 16\ndirect\n0.999321 0.328578 0.828577 Ba\n0.999321 0.828577 0.671422 Ba\n0.999321 0.671422 0.171422 Ba\n0.999321 0.171422 0.328578 Ba\n0.536558 0.000000 0.000000 V\n0.536558 0.500000 0.500000 V\n0.519855 0.129736 0.629736 Si\n0.519855 0.370264 0.129736 Si\n0.519855 0.629736 0.870263 Si\n0.519855 0.870263 0.370264 Si\n0.214255 0.871876 0.371876 O\n0.214255 0.628124 0.871876 O\n0.214255 0.371876 0.128124 O\n0.221836 0.500000 0.500000 O\n0.634390 0.000000 0.500000 O\n0.653265 0.295033 0.577597 O\n0.653265 0.422402 0.295033 O\n0.653265 0.577597 0.704967 O\n0.653265 0.704967 0.422402 O\n0.653265 0.204967 0.077598 O\n0.653265 0.795032 0.922402 O\n0.653265 0.922402 0.204967 O\n0.653265 0.077598 0.795032 O\n0.221836 0.000000 0.000000 O\n0.634390 0.500000 0.000000 O\n0.214255 0.128124 0.628124 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"V",
"Si",
"O"
],
"chemical_system": "Ba-O-Si-V",
"density": 4.408547817713638,
"density_atomic": 0.0677052908624328,
"volume": 384.0172557980466,
"volume_molar": 8.894638341095241,
"formula_full": "Ba4 V2 Si4 O16",
"formula_reduced": "Ba2V(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.545812410769231,
"spacegroup": 100
},
{
"id": "jvasp-100436",
"created_at": "2022-09-04T14:36:38.673885Z",
"updated_at": "2022-09-04T14:36:38.673899Z",
"structure_string": "Ag1 Sb1 Te1 Se1\n1.0\n4.136649 0.000000 0.000000\n0.000000 4.136649 0.000000\n0.000000 0.000000 6.149293\nAg Sb Te Se\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Se\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"Te",
"Se"
],
"chemical_system": "Ag-Sb-Se-Te",
"density": 6.883359930441247,
"density_atomic": 0.03801346521266381,
"volume": 105.22587134906709,
"volume_molar": 15.842125221443327,
"formula_full": "Ag1 Sb1 Te1 Se1",
"formula_reduced": "AgSbTeSe",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.8862511233333333,
"spacegroup": 123
},
{
"id": "jvasp-43126",
"created_at": "2022-09-04T14:36:37.888499Z",
"updated_at": "2022-09-04T14:36:37.888520Z",
"structure_string": "Li2 Co1 Cu1 O4\n1.0\n5.071425 -0.156649 -0.000000\n2.078655 4.628508 -0.000000\n-3.575039 -2.235929 2.821984\nLi Co Cu O\n2 1 1 4\ndirect\n0.250000 0.750000 0.499999 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Co\n0.749999 0.249999 0.499999 Cu\n0.515168 0.015168 0.499999 O\n0.225490 0.225490 0.000000 O\n0.984831 0.484831 0.499999 O\n0.774510 0.774511 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-Li-O",
"density": 4.95391792558903,
"density_atomic": 0.1191190676573756,
"volume": 67.1596928798213,
"volume_molar": 5.055564049008171,
"formula_full": "Li2 Co1 Cu1 O4",
"formula_reduced": "Li2CoCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.84769566875,
"spacegroup": 119
},
{
"id": "jvasp-34579",
"created_at": "2022-09-04T14:36:39.064888Z",
"updated_at": "2022-09-04T14:36:39.064905Z",
"structure_string": "Rb2 Na1 Ni1 F6\n1.0\n5.121366 -0.000000 2.956823\n1.707122 4.828472 2.956823\n-0.000000 -0.000000 5.913645\nRb Na Ni F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ni\n0.227637 0.772363 0.772364 F\n0.227637 0.772363 0.227637 F\n0.772364 0.227637 0.772363 F\n0.227637 0.227637 0.772364 F\n0.772364 0.227637 0.227636 F\n0.772364 0.772363 0.227636 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Ni",
"F"
],
"chemical_system": "F-Na-Ni-Rb",
"density": 4.162954478144663,
"density_atomic": 0.06838316834737705,
"volume": 146.2348154037172,
"volume_molar": 8.80646642373801,
"formula_full": "Rb2 Na1 Ni1 F6",
"formula_reduced": "Rb2NaNiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-34331",
"created_at": "2022-09-04T14:36:39.075557Z",
"updated_at": "2022-09-04T14:36:39.075575Z",
"structure_string": "Ba2 Pb4 I2 F10\n1.0\n6.075368 0.000000 -0.000000\n0.000000 6.075368 0.000000\n0.000000 0.000000 9.998971\nBa Pb I F\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.692040 Pb\n0.500000 0.000000 0.733496 Pb\n0.000000 0.500000 0.266504 Pb\n0.500000 0.000000 0.307960 Pb\n0.000000 0.000000 0.500000 I\n0.500000 0.500000 0.500000 I\n0.236218 0.736218 0.819821 F\n0.500000 0.000000 0.966725 F\n0.736218 0.763783 0.180179 F\n0.236218 0.263783 0.819821 F\n0.000000 0.500000 0.033275 F\n0.763783 0.736218 0.819821 F\n0.263783 0.763783 0.180179 F\n0.763783 0.263783 0.819821 F\n0.263783 0.236218 0.180179 F\n0.736218 0.236218 0.180179 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Pb",
"I",
"F"
],
"chemical_system": "Ba-F-I-Pb",
"density": 6.961586943070904,
"density_atomic": 0.04877216311498473,
"volume": 369.0629828651108,
"volume_molar": 12.347495733995364,
"formula_full": "Ba2 Pb4 I2 F10",
"formula_reduced": "BaPb2IF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-98117",
"created_at": "2022-09-04T14:36:18.206278Z",
"updated_at": "2022-09-04T14:36:18.206304Z",
"structure_string": "Co4 Bi8 S4 O28\n1.0\n5.393845 0.000000 0.000000\n0.000000 7.152484 0.000000\n0.000000 0.000000 15.827048\nCo Bi S O\n4 8 4 28\ndirect\n0.250000 0.948236 0.674250 Co\n0.250000 0.051764 0.174250 Co\n0.750001 0.051764 0.325750 Co\n0.750001 0.948236 0.825750 Co\n0.750001 0.826562 0.519157 Bi\n0.750001 0.234590 0.658677 Bi\n0.250000 0.234590 0.841323 Bi\n0.750001 0.765409 0.158677 Bi\n0.750001 0.173438 0.019157 Bi\n0.250000 0.765409 0.341323 Bi\n0.250000 0.826562 0.980843 Bi\n0.250000 0.173438 0.480843 Bi\n0.750001 0.590600 0.887319 S\n0.250000 0.409399 0.112681 S\n0.250000 0.590600 0.612681 S\n0.750001 0.409399 0.387319 S\n0.502558 0.955341 0.082410 O\n0.497443 0.044658 0.917590 O\n0.997444 0.955341 0.082410 O\n0.250000 0.386714 0.018896 O\n0.472550 0.314854 0.150280 O\n0.000000 0.918384 0.250000 O\n0.750001 0.387708 0.864630 O\n0.750001 0.613285 0.981104 O\n0.250000 0.612292 0.135370 O\n0.972550 0.314854 0.349720 O\n0.750001 0.386714 0.481104 O\n0.527451 0.314854 0.349720 O\n0.250000 0.613285 0.518896 O\n0.527451 0.685145 0.849721 O\n0.972550 0.685145 0.849721 O\n0.497443 0.955341 0.417590 O\n0.500000 0.081615 0.750000 O\n0.502558 0.044658 0.582411 O\n0.002557 0.955341 0.417590 O\n0.997444 0.044658 0.582411 O\n0.002557 0.044658 0.917590 O\n0.472550 0.685145 0.650280 O\n0.500000 0.918384 0.250000 O\n0.750001 0.612292 0.364630 O\n0.027451 0.685145 0.650280 O\n0.027451 0.314854 0.150280 O\n0.000000 0.081615 0.750000 O\n0.250000 0.387708 0.635370 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Co",
"Bi",
"S",
"O"
],
"chemical_system": "Bi-Co-O-S",
"density": 6.754820257974754,
"density_atomic": 0.07206052134228097,
"volume": 610.5978583058534,
"volume_molar": 8.357059660164508,
"formula_full": "Co4 Bi8 S4 O28",
"formula_reduced": "CoBi2SO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.502940363636363,
"spacegroup": 57
},
{
"id": "jvasp-91743",
"created_at": "2022-09-04T14:36:18.137551Z",
"updated_at": "2022-09-04T14:36:18.137586Z",
"structure_string": "Ti2 Cu2 Ge2 As2\n1.0\n3.644037 -0.000000 -0.000000\n-0.000000 3.644037 -0.000000\n-0.000000 0.000000 9.378622\nTi Cu Ge As\n2 2 2 2\ndirect\n0.750001 0.750001 0.778484 Ti\n0.250000 0.250000 0.221516 Ti\n0.250000 0.750001 0.500000 Cu\n0.750001 0.250000 0.500000 Cu\n0.250000 0.750001 0.000000 Ge\n0.750001 0.250000 0.000000 Ge\n0.750001 0.750001 0.311471 As\n0.250000 0.250000 0.688529 As\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Cu",
"Ge",
"As"
],
"chemical_system": "As-Cu-Ge-Ti",
"density": 6.906081129367353,
"density_atomic": 0.06423702197111587,
"volume": 124.53877459632537,
"volume_molar": 9.374875383712293,
"formula_full": "Ti2 Cu2 Ge2 As2",
"formula_reduced": "TiCuGeAs",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.530419120833333,
"spacegroup": 129
},
{
"id": "jvasp-86009",
"created_at": "2022-09-04T14:36:12.673352Z",
"updated_at": "2022-09-04T14:36:12.673370Z",
"structure_string": "Ba2 Co1 Mo1 O6\n1.0\n4.965769 -0.001794 2.866999\n1.656940 4.681089 2.866986\n-0.000063 -0.000188 5.733930\nBa Co Mo O\n2 1 1 6\ndirect\n0.750002 0.750000 0.750000 Ba\n0.249999 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Mo\n0.740610 0.259385 0.740507 O\n0.740502 0.259487 0.259388 O\n0.259441 0.259467 0.740551 O\n0.259498 0.740513 0.740613 O\n0.740560 0.740533 0.259449 O\n0.259391 0.740616 0.259494 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Co",
"Mo",
"O"
],
"chemical_system": "Ba-Co-Mo-O",
"density": 6.546232413540749,
"density_atomic": 0.07501534361295507,
"volume": 133.30606137852857,
"volume_molar": 8.027878657826987,
"formula_full": "Ba2 Co1 Mo1 O6",
"formula_reduced": "Ba2CoMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.540799974,
"spacegroup": 225
},
{
"id": "jvasp-100086",
"created_at": "2022-09-04T14:36:37.963006Z",
"updated_at": "2022-09-04T14:36:37.963022Z",
"structure_string": "K2 Li1 Ru1 F6\n1.0\n4.945105 -0.000000 2.855057\n1.648369 4.662289 2.855057\n0.000000 0.000000 5.710116\nK Li Ru F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ru\n0.750634 0.249367 0.249367 F\n0.249368 0.249367 0.750633 F\n0.249368 0.750633 0.750634 F\n0.249368 0.750633 0.249368 F\n0.750634 0.249367 0.750633 F\n0.750634 0.750633 0.249368 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Ru",
"F"
],
"chemical_system": "F-K-Li-Ru",
"density": 3.786494068585502,
"density_atomic": 0.0759591963217296,
"volume": 131.6496288039228,
"volume_molar": 7.928125956589736,
"formula_full": "K2 Li1 Ru1 F6",
"formula_reduced": "K2LiRuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0341248195000001,
"spacegroup": 225
},
{
"id": "jvasp-61571",
"created_at": "2022-09-04T14:36:18.126828Z",
"updated_at": "2022-09-04T14:36:18.126855Z",
"structure_string": "Y6 Al2 Co2 S14\n1.0\n4.744685 -8.218035 0.000000\n4.744685 8.218035 0.000000\n-0.000000 0.000000 6.153093\nY Al Co S\n6 2 2 14\ndirect\n0.782874 0.625116 0.774895 Y\n0.842240 0.217125 0.774895 Y\n0.374883 0.157759 0.774895 Y\n0.217125 0.374883 0.274895 Y\n0.157759 0.782874 0.274895 Y\n0.625116 0.842240 0.274895 Y\n0.666666 0.333333 0.347363 Al\n0.333333 0.666666 0.847363 Al\n0.000000 0.000000 0.935937 Co\n0.000000 0.000000 0.435937 Co\n0.477876 0.564438 0.000077 S\n0.435561 0.913437 0.000077 S\n0.086562 0.522123 0.000077 S\n0.522123 0.435561 0.500077 S\n0.564438 0.086562 0.500077 S\n0.913437 0.477876 0.500077 S\n0.901750 0.127340 0.180937 S\n0.098249 0.872659 0.680937 S\n0.127340 0.225589 0.680937 S\n0.225589 0.098249 0.180937 S\n0.666666 0.333333 0.984968 S\n0.872659 0.774410 0.180937 S\n0.774410 0.901750 0.680937 S\n0.333333 0.666666 0.484968 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Al",
"Co",
"S"
],
"chemical_system": "Al-Co-S-Y",
"density": 3.994125909792425,
"density_atomic": 0.05001639606444859,
"volume": 479.8426493799117,
"volume_molar": 12.040333238404813,
"formula_full": "Y6 Al2 Co2 S14",
"formula_reduced": "Y3AlCoS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.5973558375,
"spacegroup": 173
},
{
"id": "jvasp-91256",
"created_at": "2022-09-04T14:36:12.007244Z",
"updated_at": "2022-09-04T14:36:12.007265Z",
"structure_string": "Ba1 Pr2 Ni1 O5\n1.0\n3.686607 -0.000025 -1.076480\n-0.764082 5.348747 -2.616488\n0.022090 0.022501 6.926289\nBa Pr Ni O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.201345 0.701346 0.402689 Pr\n0.798657 0.298656 0.597311 Pr\n0.500001 0.500001 0.000000 Ni\n1.000000 0.500001 0.000001 O\n0.356669 0.599727 0.713323 O\n0.643333 0.400274 0.286677 O\n0.643347 0.886408 0.286679 O\n0.356654 0.113593 0.713321 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Pr",
"density": 6.764287278673309,
"density_atomic": 0.06572210831776766,
"volume": 136.94022042757402,
"volume_molar": 9.1630364791142,
"formula_full": "Ba1 Pr2 Ni1 O5",
"formula_reduced": "BaPr2NiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.8254550633333333,
"spacegroup": 71
}
]
}