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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3559",
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"results": [
{
"id": "jvasp-35032",
"created_at": "2022-09-04T14:37:42.104710Z",
"updated_at": "2022-09-04T14:37:42.104738Z",
"structure_string": "Pr2 Pb2 Au2\n1.0\n2.448414 -4.240778 -0.000000\n2.448414 4.240778 -0.000000\n-0.000000 0.000000 7.721352\nPr Pb Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333332 0.666666 0.250000 Pb\n0.666666 0.333332 0.750000 Pb\n0.333332 0.666666 0.750000 Au\n0.666666 0.333332 0.250000 Au\n",
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{
"id": "jvasp-20064",
"created_at": "2022-09-04T14:35:49.254404Z",
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"structure_string": "La1 Sb1\n1.0\n3.997844 0.000000 2.308156\n1.332614 3.769204 2.308156\n0.000000 0.000000 4.616313\nLa Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.499999 0.499999 0.500001 Sb\n",
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"formula_full": "La1 Sb1",
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{
"id": "jvasp-120306",
"created_at": "2022-09-04T14:38:53.930649Z",
"updated_at": "2022-09-04T14:38:53.930678Z",
"structure_string": "Li1 Tl1 Sb1\n1.0\n3.185528 -0.000000 0.000000\n-0.000000 3.185528 0.000000\n0.000000 0.000000 8.590886\nLi Tl Sb\n1 1 1\ndirect\n0.000000 0.000000 0.322999 Li\n0.000000 0.000000 0.644260 Tl\n0.000000 0.000000 0.007042 Sb\n",
"nsites": 3,
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"density": 6.344573756588505,
"density_atomic": 0.03441283444243556,
"volume": 87.17677717068852,
"volume_molar": 17.49969410416803,
"formula_full": "Li1 Tl1 Sb1",
"formula_reduced": "LiTlSb",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-114974",
"created_at": "2022-09-04T14:38:44.336672Z",
"updated_at": "2022-09-04T14:38:44.336702Z",
"structure_string": "Ge2 Cl1\n1.0\n5.843149 0.000000 -0.020440\n0.000000 3.021709 0.000000\n0.014305 0.000000 4.346155\nGe Cl\n2 1\ndirect\n-0.147187 0.000000 -0.033596 Ge\n0.084657 0.000000 0.466427 Ge\n0.462531 0.000000 -0.032831 Cl\n",
"nsites": 3,
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"elements": [
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"Cl"
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"chemical_system": "Cl-Ge",
"density": 3.910900301201087,
"density_atomic": 0.039094120255235745,
"volume": 76.73788233150533,
"volume_molar": 15.404210967488071,
"formula_full": "Ge2 Cl1",
"formula_reduced": "Ge2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5000086558333332,
"spacegroup": 25
},
{
"id": "jvasp-79527",
"created_at": "2022-09-04T14:36:43.163128Z",
"updated_at": "2022-09-04T14:36:43.163159Z",
"structure_string": "Sn2 S2\n1.0\n-2.954018 -2.979371 0.576558\n2.905345 -2.877846 0.015514\n-0.628868 -0.602968 5.942405\nSn S\n2 2\ndirect\n0.710844 0.750011 0.755539 Sn\n0.289157 0.249990 0.244461 Sn\n0.839089 0.750006 0.297605 S\n0.160911 0.249995 0.702396 S\n",
"nsites": 4,
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"elements": [
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"S"
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"chemical_system": "S-Sn",
"density": 5.012185377235164,
"density_atomic": 0.04003858181708484,
"volume": 99.90363840242618,
"volume_molar": 15.0408443223888,
"formula_full": "Sn2 S2",
"formula_reduced": "SnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.5000008500000002,
"spacegroup": 11
},
{
"id": "jvasp-5368",
"created_at": "2022-09-04T14:36:31.502478Z",
"updated_at": "2022-09-04T14:36:31.502508Z",
"structure_string": "Ti4 Br16\n1.0\n0.000000 10.150710 0.036075\n6.791957 0.000000 0.000000\n0.000000 -2.042607 -9.940887\nTi Br\n4 16\ndirect\n0.630631 0.421038 0.750197 Ti\n0.869369 0.921038 0.249804 Ti\n0.369368 0.578963 0.249804 Ti\n0.130631 0.078962 0.750197 Ti\n0.051312 0.082532 0.190440 Br\n0.448688 0.582532 0.809561 Br\n0.196156 0.914345 0.572305 Br\n0.303844 0.414345 0.427695 Br\n0.803844 0.085655 0.427696 Br\n0.696156 0.585655 0.572306 Br\n0.072381 0.403169 0.687878 Br\n0.927619 0.596831 0.312123 Br\n0.551312 0.417468 0.190440 Br\n0.572381 0.096831 0.687878 Br\n0.310474 0.077656 0.934580 Br\n0.189526 0.577657 0.065421 Br\n0.689526 0.922344 0.065421 Br\n0.810474 0.422344 0.934580 Br\n0.427619 0.903169 0.312123 Br\n0.948688 0.917468 0.809561 Br\n",
"nsites": 20,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Br-Ti",
"density": 3.5640772994329373,
"density_atomic": 0.02920322189614635,
"volume": 684.8559405919248,
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"formula_full": "Ti4 Br16",
"formula_reduced": "TiBr4",
"formula_anonymous": "AB4",
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"spacegroup": 14
},
{
"id": "jvasp-55970",
"created_at": "2022-09-04T14:37:32.245711Z",
"updated_at": "2022-09-04T14:37:32.245724Z",
"structure_string": "Ti4 Br16\n1.0\n0.000000 10.151187 0.036283\n6.792156 0.000000 0.000000\n0.000000 -2.042903 -9.941585\nTi Br\n4 16\ndirect\n0.630655 0.421047 0.750186 Ti\n0.869346 0.921047 0.249815 Ti\n0.369345 0.578954 0.249814 Ti\n0.130655 0.078953 0.750186 Ti\n0.051274 0.082546 0.190445 Br\n0.448727 0.582546 0.809556 Br\n0.196193 0.914325 0.572329 Br\n0.303808 0.414325 0.427672 Br\n0.803808 0.085675 0.427672 Br\n0.696193 0.585676 0.572329 Br\n0.072416 0.403150 0.687857 Br\n0.927584 0.596851 0.312144 Br\n0.551274 0.417454 0.190445 Br\n0.572416 0.096851 0.687857 Br\n0.310481 0.077662 0.934567 Br\n0.189520 0.577662 0.065433 Br\n0.689520 0.922339 0.065434 Br\n0.810481 0.422338 0.934567 Br\n0.427584 0.903150 0.312144 Br\n0.948727 0.917454 0.809556 Br\n",
"nsites": 20,
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"elements": [
"Ti",
"Br"
],
"chemical_system": "Br-Ti",
"density": 3.5635702801546802,
"density_atomic": 0.029199067497898332,
"volume": 684.9533808379169,
"volume_molar": 20.624428367219114,
"formula_full": "Ti4 Br16",
"formula_reduced": "TiBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.4998269506666669,
"spacegroup": 14
},
{
"id": "jvasp-19815",
"created_at": "2022-09-04T14:37:00.524440Z",
"updated_at": "2022-09-04T14:37:00.524460Z",
"structure_string": "Th2 Mg4\n1.0\n5.240519 0.000000 3.025615\n1.746840 4.940808 3.025615\n0.000000 0.000000 6.051229\nTh Mg\n2 4\ndirect\n0.875000 0.875000 0.875001 Th\n0.125000 0.125000 0.125000 Th\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000001 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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"Mg"
],
"chemical_system": "Mg-Th",
"density": 5.948743889437271,
"density_atomic": 0.03829441015173366,
"volume": 156.6808308634666,
"volume_molar": 15.725900297559138,
"formula_full": "Th2 Mg4",
"formula_reduced": "ThMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4997945666666668,
"spacegroup": 227
},
{
"id": "jvasp-114795",
"created_at": "2022-09-04T14:38:42.783867Z",
"updated_at": "2022-09-04T14:38:42.783884Z",
"structure_string": "Na1 Y1 Cl1\n1.0\n3.468454 0.000000 0.000000\n0.000000 3.468454 -0.000000\n-0.000000 -0.000000 8.589955\nNa Y Cl\n1 1 1\ndirect\n0.000000 0.000000 0.591856 Na\n0.000000 0.000000 -0.002360 Y\n0.000000 0.000000 0.287809 Cl\n",
"nsites": 3,
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"elements": [
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"Y",
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],
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"density": 2.36773122341833,
"density_atomic": 0.029030765508099573,
"volume": 103.33864600170467,
"volume_molar": 20.743995739002553,
"formula_full": "Na1 Y1 Cl1",
"formula_reduced": "NaYCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4997435694444446,
"spacegroup": 99
},
{
"id": "jvasp-106288",
"created_at": "2022-09-04T14:38:17.372500Z",
"updated_at": "2022-09-04T14:38:17.372522Z",
"structure_string": "Tb4 Cl6\n1.0\n6.897742 -0.039644 3.619681\n5.848607 3.657075 3.619681\n-0.176031 -0.049958 10.087814\nTb Cl\n4 6\ndirect\n0.911204 0.911207 0.447284 Tb\n0.088795 0.088795 0.552716 Tb\n0.637864 0.637866 0.206563 Tb\n0.362135 0.362136 0.793436 Tb\n0.842602 0.842605 0.012294 Cl\n0.157397 0.157397 0.987705 Cl\n0.729815 0.729818 0.382170 Cl\n0.270184 0.270184 0.617829 Cl\n0.451607 0.451609 0.230125 Cl\n0.548392 0.548393 0.769874 Cl\n",
"nsites": 10,
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"density": 5.432068069312723,
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"volume": 259.3549161359424,
"volume_molar": 15.618718117686404,
"formula_full": "Tb4 Cl6",
"formula_reduced": "Tb2Cl3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.499646,
"spacegroup": 12
},
{
"id": "jvasp-109564",
"created_at": "2022-09-04T14:38:27.914616Z",
"updated_at": "2022-09-04T14:38:27.914647Z",
"structure_string": "Mg4 Sc2\n1.0\n5.916812 0.011040 1.546102\n5.054756 3.075423 1.546102\n-0.025598 -0.007201 7.604390\nMg Sc\n4 2\ndirect\n0.029220 0.029220 0.693960 Mg\n0.305417 0.305417 0.642089 Mg\n0.694583 0.694582 0.357911 Mg\n0.970781 0.970779 0.306039 Mg\n0.361530 0.361530 0.026088 Sc\n0.638470 0.638470 0.973911 Sc\n",
"nsites": 6,
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"volume": 138.08131922405255,
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"spacegroup": 12
},
{
"id": "jvasp-67582",
"created_at": "2022-09-04T14:35:48.925979Z",
"updated_at": "2022-09-04T14:35:48.925994Z",
"structure_string": "K1 Be1 Pb2\n1.0\n3.810039 0.000000 0.000000\n-0.000000 3.810039 0.000000\n0.000000 -0.000000 8.149273\nK Be Pb\n1 1 2\ndirect\n0.500000 0.500000 0.744656 K\n0.000000 0.000000 0.369902 Be\n0.000000 0.000000 0.054537 Pb\n0.500000 0.500000 0.330905 Pb\n",
"nsites": 4,
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"formula_full": "K1 Be1 Pb2",
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}
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}