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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3835",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3833",
"results": [
{
"id": "jvasp-49695",
"created_at": "2022-09-04T14:37:19.417391Z",
"updated_at": "2022-09-04T14:37:19.417418Z",
"structure_string": "Mg6 Ti4 O14\n1.0\n5.346001 -0.000000 -0.000000\n-0.000000 4.988539 -1.345578\n0.000000 -0.169309 9.292245\nMg Ti O\n6 4 14\ndirect\n0.704382 0.739736 -0.000000 Mg\n0.204382 0.260264 -0.000000 Mg\n0.821128 0.561649 0.610918 Mg\n0.321128 0.438351 0.389082 Mg\n0.821128 0.950730 0.389082 Mg\n0.321128 0.049270 0.610918 Mg\n0.762715 0.347724 0.212149 Ti\n0.262715 0.652276 0.787850 Ti\n0.262715 0.864425 0.212149 Ti\n0.762715 0.135575 0.787850 Ti\n0.312650 0.635912 -0.000000 O\n0.812650 0.364088 -0.000000 O\n0.420804 0.159285 0.159366 O\n0.920804 0.840715 0.840633 O\n0.052107 0.569595 0.265023 O\n0.552107 0.430405 0.734976 O\n0.194730 0.079380 0.412878 O\n0.052107 0.304571 0.734976 O\n0.694730 0.333500 0.412878 O\n0.194730 0.666500 0.587121 O\n0.920804 0.000081 0.159366 O\n0.694730 0.920620 0.587121 O\n0.552107 0.695429 0.265023 O\n0.420804 0.999919 0.840633 O\n",
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"volume": 246.59449690677386,
"volume_molar": 6.187611545891569,
"formula_full": "Mg6 Ti4 O14",
"formula_reduced": "Mg3Ti2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.975133193055556,
"spacegroup": 36
},
{
"id": "jvasp-30632",
"created_at": "2022-09-04T14:37:19.673140Z",
"updated_at": "2022-09-04T14:37:19.673158Z",
"structure_string": "Sb2 N2\n1.0\n3.279299 0.020000 -0.468095\n-0.033001 4.003505 -0.059568\n-0.831380 0.080066 5.818482\nSb N\n2 2\ndirect\n0.264084 0.785108 0.033376 Sb\n0.980569 0.285079 0.469272 Sb\n0.438414 0.978108 0.384364 N\n0.806230 0.478126 0.118286 N\n",
"nsites": 4,
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"elements": [
"Sb",
"N"
],
"chemical_system": "N-Sb",
"density": 6.023719039390771,
"density_atomic": 0.05343826426721621,
"volume": 74.85273062010654,
"volume_molar": 11.26934200161609,
"formula_full": "Sb2 N2",
"formula_reduced": "SbN",
"formula_anonymous": "AB",
"energy_above_hull": 2.416749675,
"spacegroup": 36
},
{
"id": "jvasp-12452",
"created_at": "2022-09-04T14:37:27.282634Z",
"updated_at": "2022-09-04T14:37:27.282654Z",
"structure_string": "K4 Pb2 O6\n1.0\n6.073249 0.000000 -0.000000\n0.000000 5.850352 -2.532575\n0.000000 -0.084861 6.374429\nK Pb O\n4 2 6\ndirect\n0.264606 0.476142 0.803339 K\n0.764606 0.196661 0.523858 K\n0.764606 0.523857 0.196662 K\n0.264606 0.803339 0.476143 K\n0.733002 0.897451 0.897452 Pb\n0.233002 0.102549 0.102549 Pb\n0.998353 0.829921 0.099137 O\n0.498353 0.170079 0.900864 O\n0.498353 0.900864 0.170079 O\n0.998353 0.099136 0.829922 O\n0.116079 0.380894 0.380895 O\n0.616079 0.619106 0.619106 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Pb",
"O"
],
"chemical_system": "K-O-Pb",
"density": 4.917038543976181,
"density_atomic": 0.053290150136240236,
"volume": 225.182326739953,
"volume_molar": 11.300663902435907,
"formula_full": "K4 Pb2 O6",
"formula_reduced": "K2PbO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8057995533333333,
"spacegroup": 36
},
{
"id": "jvasp-51017",
"created_at": "2022-09-04T14:37:28.095195Z",
"updated_at": "2022-09-04T14:37:28.095230Z",
"structure_string": "Rb2 H2 O2\n1.0\n0.000000 4.137279 0.152423\n4.187887 0.000000 0.000000\n0.000000 -1.861053 -5.498286\nRb H O\n2 2 2\ndirect\n0.139508 0.761254 0.278808 Rb\n0.860493 0.261254 0.721193 Rb\n0.467491 0.898880 0.935076 H\n0.532511 0.398880 0.064925 H\n0.400485 0.737904 0.801976 O\n0.599517 0.237904 0.198026 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"H",
"O"
],
"chemical_system": "H-O-Rb",
"density": 3.6175141109980498,
"density_atomic": 0.06377696830249271,
"volume": 94.07784909972729,
"volume_molar": 9.442500827943283,
"formula_full": "Rb2 H2 O2",
"formula_reduced": "RbHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.726231166666667,
"spacegroup": 36
},
{
"id": "jvasp-42397",
"created_at": "2022-09-04T14:37:29.581515Z",
"updated_at": "2022-09-04T14:37:29.581547Z",
"structure_string": "Na2 Co4 O6\n1.0\n5.016849 2.906880 0.000000\n-5.016849 2.906880 0.000000\n0.000000 0.000000 5.191404\nNa Co O\n2 4 6\ndirect\n0.323014 0.323014 0.999485 Na\n0.676986 0.676986 0.499485 Na\n0.333078 0.994015 0.518715 Co\n0.005985 0.666922 0.018715 Co\n0.994015 0.333078 0.518715 Co\n0.666922 0.005985 0.018715 Co\n0.061558 0.665257 0.382229 O\n0.334743 0.938442 0.882229 O\n0.283599 0.283599 0.459524 O\n0.716401 0.716401 0.959523 O\n0.665257 0.061558 0.382229 O\n0.938442 0.334743 0.882229 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.142219898482362,
"density_atomic": 0.07925164573777214,
"volume": 151.41641398470892,
"volume_molar": 7.598757986586247,
"formula_full": "Na2 Co4 O6",
"formula_reduced": "NaCo2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.233465216666666,
"spacegroup": 36
},
{
"id": "jvasp-4450",
"created_at": "2022-09-04T14:37:30.388685Z",
"updated_at": "2022-09-04T14:37:30.388711Z",
"structure_string": "Ag10 Sb2 S8\n1.0\n7.321399 0.018395 -0.000000\n-3.157430 6.605591 -0.000000\n0.000000 -0.000000 8.788338\nAg Sb S\n10 2 8\ndirect\n0.559494 0.804980 0.488939 Ag\n0.868542 0.744764 0.669357 Ag\n0.440506 0.195021 0.988939 Ag\n0.857722 0.142279 0.831655 Ag\n0.142279 0.857721 0.331655 Ag\n0.255237 0.131459 0.669357 Ag\n0.744763 0.868542 0.169357 Ag\n0.195020 0.440506 0.488939 Ag\n0.131458 0.255237 0.169357 Ag\n0.804980 0.559495 0.988939 Ag\n0.325809 0.674191 0.898480 Sb\n0.674191 0.325810 0.398480 Sb\n0.499662 0.967423 0.725632 S\n0.500338 0.032577 0.225632 S\n0.028752 0.971248 0.978695 S\n0.971248 0.028753 0.478695 S\n0.516062 0.483938 0.797820 S\n0.483938 0.516062 0.297820 S\n0.032577 0.500338 0.725632 S\n0.967424 0.499663 0.225632 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-S-Sb",
"density": 6.160571396091567,
"density_atomic": 0.04699982406289902,
"volume": 425.5335078113135,
"volume_molar": 12.813113410681446,
"formula_full": "Ag10 Sb2 S8",
"formula_reduced": "Ag5SbS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.92480924,
"spacegroup": 36
},
{
"id": "jvasp-22926",
"created_at": "2022-09-04T14:37:31.177542Z",
"updated_at": "2022-09-04T14:37:31.177561Z",
"structure_string": "Ba8 Tb4 Cd6 S20\n1.0\n4.173042 0.000000 -0.000000\n-2.086522 9.057908 -0.000000\n-0.000000 -0.000000 26.737411\nTb Ba Cd S\n4 8 6 20\ndirect\n0.079663 0.159326 0.253563 Tb\n0.496102 0.992203 0.499429 Tb\n0.920337 0.840675 0.753563 Tb\n0.503898 0.007797 0.999429 Tb\n0.160763 0.321527 0.390919 Ba\n0.839237 0.678474 0.890919 Ba\n0.163104 0.326208 0.110787 Ba\n0.836896 0.673792 0.610787 Ba\n0.575350 0.150701 0.655988 Ba\n0.424650 0.849299 0.155988 Ba\n0.405165 0.810331 0.339547 Ba\n0.594835 0.189669 0.839547 Ba\n0.155494 0.310990 0.543806 Cd\n0.844506 0.689011 0.043807 Cd\n0.162324 0.324647 0.961436 Cd\n0.837676 0.675353 0.461436 Cd\n0.217236 0.434472 0.732592 Cd\n0.782764 0.565528 0.232592 Cd\n0.989685 0.979370 0.070493 S\n0.576725 0.153452 0.321046 S\n0.983426 0.966851 0.432193 S\n0.423275 0.846548 0.821046 S\n0.590859 0.181718 0.184211 S\n0.409141 0.818283 0.684211 S\n0.650339 0.300679 0.488696 S\n0.349661 0.699321 0.988696 S\n0.655264 0.310528 0.018554 S\n0.344736 0.689472 0.518554 S\n0.768582 0.537163 0.768164 S\n0.231418 0.462837 0.268164 S\n0.787523 0.575047 0.376633 S\n0.212477 0.424954 0.876633 S\n0.792679 0.585358 0.131661 S\n0.207321 0.414642 0.631661 S\n0.927637 0.855275 0.247199 S\n0.072363 0.144726 0.747199 S\n0.016574 0.033149 0.932193 S\n0.010315 0.020631 0.570493 S\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Tb",
"Ba",
"Cd",
"S"
],
"chemical_system": "Ba-Cd-S-Tb",
"density": 5.0114199682613245,
"density_atomic": 0.0375996310703309,
"volume": 1010.6482143114703,
"volume_molar": 16.01648896164821,
"formula_full": "Ba8 Tb4 Cd6 S20",
"formula_reduced": "Ba4Tb2Cd3S10",
"formula_anonymous": "A2B3C4D10",
"energy_above_hull": 0.9094889436842106,
"spacegroup": 36
},
{
"id": "jvasp-35165",
"created_at": "2022-09-04T14:37:31.240607Z",
"updated_at": "2022-09-04T14:37:31.240647Z",
"structure_string": "Li4 P2 N2 O4\n1.0\n0.000000 0.000000 -4.724073\n-4.515835 -2.695217 0.000000\n-4.515835 2.695217 0.000000\nLi P N O\n4 2 2 4\ndirect\n0.497804 0.007965 0.325193 Li\n0.497804 0.674808 0.992036 Li\n0.997804 0.992036 0.674808 Li\n0.997804 0.325193 0.007965 Li\n0.500243 0.344375 0.655626 P\n0.000243 0.655626 0.344375 P\n0.656098 0.615624 0.384377 N\n0.156098 0.384377 0.615624 N\n0.583525 0.332464 0.948406 O\n0.583525 0.051595 0.667537 O\n0.083525 0.667537 0.051595 O\n0.083525 0.948406 0.332464 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"P",
"N",
"O"
],
"chemical_system": "Li-N-O-P",
"density": 2.6240944303742504,
"density_atomic": 0.10435249754316743,
"volume": 114.99485189643849,
"volume_molar": 5.770959873297547,
"formula_full": "Li4 P2 N2 O4",
"formula_reduced": "Li2PNO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.314500958333333,
"spacegroup": 36
},
{
"id": "jvasp-50460",
"created_at": "2022-09-04T14:37:35.574538Z",
"updated_at": "2022-09-04T14:37:35.574575Z",
"structure_string": "Ta2 As2 O8\n1.0\n3.916538 0.000000 0.000000\n-1.958269 7.285128 0.000000\n0.000000 0.000000 5.585774\nTa As O\n2 2 8\ndirect\n0.408472 0.816943 0.203833 Ta\n0.591528 0.183057 0.703833 Ta\n0.177008 0.354014 0.297509 As\n0.822993 0.645986 0.797509 As\n0.107259 0.214518 0.625000 O\n0.293429 0.586857 0.396502 O\n0.329621 0.659243 0.903228 O\n0.480026 0.960053 0.489125 O\n0.519974 0.039948 0.989125 O\n0.670379 0.340757 0.403228 O\n0.706571 0.413143 0.896501 O\n0.892741 0.785482 0.125000 O\n",
"nsites": 12,
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"elements": [
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"As",
"O"
],
"chemical_system": "As-O-Ta",
"density": 6.665392789497237,
"density_atomic": 0.0752936506243398,
"volume": 159.37598855275613,
"volume_molar": 7.998205306907051,
"formula_full": "Ta2 As2 O8",
"formula_reduced": "TaAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.0812324916666665,
"spacegroup": 36
},
{
"id": "jvasp-30261",
"created_at": "2022-09-04T14:37:36.045602Z",
"updated_at": "2022-09-04T14:37:36.045631Z",
"structure_string": "Mn4 O2 F8\n1.0\n2.767096 -0.000000 -0.000000\n-1.383547 4.795554 0.000000\n0.000000 0.000000 11.748480\nMn O F\n4 2 8\ndirect\n0.081447 0.162895 0.191052 Mn\n0.252388 0.504773 0.903611 Mn\n0.747613 0.495226 0.403611 Mn\n0.918553 0.837104 0.691052 Mn\n0.330273 0.660545 0.765840 O\n0.669727 0.339454 0.265840 O\n0.182915 0.365829 0.058120 F\n0.122826 0.245654 0.450228 F\n0.456406 0.912812 0.142707 F\n0.381087 0.762174 0.365764 F\n0.618913 0.237825 0.865764 F\n0.543595 0.087187 0.642707 F\n0.817085 0.634170 0.558120 F\n0.877174 0.754346 0.950228 F\n",
"nsites": 14,
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"elements": [
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"O",
"F"
],
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"density": 4.30035443705391,
"density_atomic": 0.08980144842029358,
"volume": 155.89948988880943,
"volume_molar": 6.706061946590051,
"formula_full": "Mn4 O2 F8",
"formula_reduced": "Mn2OF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4054913018226598,
"spacegroup": 36
},
{
"id": "jvasp-29824",
"created_at": "2022-09-04T14:37:37.790176Z",
"updated_at": "2022-09-04T14:37:37.790193Z",
"structure_string": "Fe2 H2 O4\n1.0\n3.839985 0.000000 0.000000\n0.000000 6.021461 1.526411\n0.000000 -6.021461 1.526411\nFe H O\n2 2 4\ndirect\n0.246479 0.680389 0.319610 Fe\n0.746478 0.319610 0.680389 Fe\n0.448677 0.017444 0.982555 H\n0.948676 0.982555 0.017444 H\n0.245869 0.302601 0.697398 O\n0.745868 0.697398 0.302601 O\n0.244471 0.072071 0.927928 O\n0.744470 0.927928 0.072071 O\n",
"nsites": 8,
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"elements": [
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"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 4.180345159253695,
"density_atomic": 0.11333318619583671,
"volume": 70.58832693696809,
"volume_molar": 5.313660510341518,
"formula_full": "Fe2 H2 O4",
"formula_reduced": "FeHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.413200625,
"spacegroup": 36
},
{
"id": "jvasp-41340",
"created_at": "2022-09-04T14:37:39.224007Z",
"updated_at": "2022-09-04T14:37:39.224034Z",
"structure_string": "Ba2 Yb2 Cd2 Sb4\n1.0\n4.742325 -0.000000 -0.000000\n0.000000 -0.000000 7.395827\n2.371162 -9.379123 -0.000000\nYb Ba Cd Sb\n2 2 2 4\ndirect\n0.480598 0.222214 0.038807 Yb\n0.519403 0.722215 0.961193 Yb\n0.302420 0.526541 0.395162 Ba\n0.697580 0.026539 0.604838 Ba\n0.906424 0.892470 0.187150 Cd\n0.093576 0.392469 0.812849 Cd\n0.940694 0.500823 0.118615 Sb\n0.333841 0.013814 0.332319 Sb\n0.666160 0.513815 0.667679 Sb\n0.059308 0.000822 0.881384 Sb\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb-Yb",
"density": 6.726781390486635,
"density_atomic": 0.030399028969964118,
"volume": 328.9578759203309,
"volume_molar": 19.81030632902847,
"formula_full": "Ba2 Yb2 Cd2 Sb4",
"formula_reduced": "BaYbCdSb2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.0,
"spacegroup": 36
}
]
}