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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4202",
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"results": [
{
"id": "jvasp-38232",
"created_at": "2022-09-04T14:37:54.621165Z",
"updated_at": "2022-09-04T14:37:54.621195Z",
"structure_string": "Rb3 In1\n1.0\n6.032933 -0.000000 -0.000000\n0.000000 6.032933 0.000000\n-0.000000 0.000000 6.032933\nRb In\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 In\n",
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"elements": [
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"volume": 219.5763222033571,
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{
"id": "jvasp-12752",
"created_at": "2022-09-04T14:38:14.187004Z",
"updated_at": "2022-09-04T14:38:14.187026Z",
"structure_string": "Rb2 Ge2 Cl6\n1.0\n0.000000 5.774635 -0.098676\n6.983369 0.000000 0.000000\n0.000000 -2.332159 -7.446950\nRb Ge Cl\n2 2 6\ndirect\n0.673992 0.750000 0.296338 Rb\n0.326007 0.250000 0.703662 Rb\n0.935553 0.750000 0.884930 Ge\n0.064447 0.250000 0.115071 Ge\n0.340539 0.750000 0.868768 Cl\n0.659461 0.250000 0.131233 Cl\n0.186447 0.499913 0.323502 Cl\n0.813552 -0.000087 0.676498 Cl\n0.186447 0.000087 0.323502 Cl\n0.813552 0.500087 0.676498 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Ge-Rb",
"density": 2.9091385327435577,
"density_atomic": 0.033121816690366894,
"volume": 301.91580653570816,
"volume_molar": 18.181794846269625,
"formula_full": "Rb2 Ge2 Cl6",
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{
"id": "jvasp-8186",
"created_at": "2022-09-04T14:37:04.400776Z",
"updated_at": "2022-09-04T14:37:04.400802Z",
"structure_string": "Zn2 Te2\n1.0\n2.172253 -3.762451 0.000000\n2.172253 3.762451 -0.000000\n0.000000 0.000000 7.165593\nZn Te\n2 2\ndirect\n0.333332 0.666666 0.000928 Zn\n0.666666 0.333332 0.500928 Zn\n0.333332 0.666666 0.374072 Te\n0.666666 0.333332 0.874071 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Te"
],
"chemical_system": "Te-Zn",
"density": 5.472594413911585,
"density_atomic": 0.03415046334041875,
"volume": 117.12871828786592,
"volume_molar": 17.63414071419787,
"formula_full": "Zn2 Te2",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
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"spacegroup": 186
},
{
"id": "jvasp-4005",
"created_at": "2022-09-04T14:36:57.093842Z",
"updated_at": "2022-09-04T14:36:57.093862Z",
"structure_string": "Na3 Cl1 O1\n1.0\n4.490933 0.000000 0.000000\n0.000000 4.490933 0.000000\n0.000000 0.000000 4.490933\nNa Cl O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 2.207720813063717,
"density_atomic": 0.05520269450633748,
"volume": 90.575288846199,
"volume_molar": 10.909142776189366,
"formula_full": "Na3 Cl1 O1",
"formula_reduced": "Na3ClO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.00387,
"spacegroup": 221
},
{
"id": "jvasp-119",
"created_at": "2022-09-04T14:38:03.546136Z",
"updated_at": "2022-09-04T14:38:03.546162Z",
"structure_string": "Rb2 Te1\n1.0\n5.195543 -0.000000 2.999648\n1.731848 4.898405 2.999648\n0.000000 0.000000 5.999296\nRb Te\n2 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750001 Rb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
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],
"chemical_system": "Rb-Te",
"density": 3.2468281426161743,
"density_atomic": 0.019648768292747337,
"volume": 152.68132614232854,
"volume_molar": 30.64894791508568,
"formula_full": "Rb2 Te1",
"formula_reduced": "Rb2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0038666666666666,
"spacegroup": 225
},
{
"id": "jvasp-38434",
"created_at": "2022-09-04T14:37:56.620580Z",
"updated_at": "2022-09-04T14:37:56.620610Z",
"structure_string": "K6 Mg2\n1.0\n4.251535 -7.363875 -0.000000\n4.251535 7.363875 0.000000\n0.000000 -0.000000 6.718114\nK Mg\n6 2\ndirect\n0.650398 0.825200 0.750000 K\n0.174802 0.825199 0.750000 K\n0.174801 0.349603 0.750000 K\n0.825200 0.650398 0.250000 K\n0.825199 0.174802 0.250000 K\n0.349603 0.174801 0.250000 K\n0.666667 0.333334 0.750000 Mg\n0.333334 0.666667 0.250000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density": 1.117924588460104,
"density_atomic": 0.01901780787443594,
"volume": 420.65836676969144,
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"formula_full": "K6 Mg2",
"formula_reduced": "K3Mg",
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"spacegroup": 194
},
{
"id": "jvasp-22654",
"created_at": "2022-09-04T14:36:48.050797Z",
"updated_at": "2022-09-04T14:36:48.050822Z",
"structure_string": "Cu2 I2\n1.0\n4.157805 -0.000000 0.000000\n-2.078903 3.600765 0.000000\n0.000000 0.000000 7.251002\nCu I\n2 2\ndirect\n0.333333 0.666666 0.853029 Cu\n-0.000000 -0.000000 0.662972 Cu\n-0.000000 -0.000000 0.024506 I\n0.333333 0.666666 0.491492 I\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.8264526480388765,
"density_atomic": 0.0368470794428498,
"volume": 108.5567719472595,
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"formula_full": "Cu2 I2",
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"spacegroup": 164
},
{
"id": "jvasp-38267",
"created_at": "2022-09-04T14:36:15.185368Z",
"updated_at": "2022-09-04T14:36:15.185385Z",
"structure_string": "Mn2 Zn6\n1.0\n2.736774 -4.740231 0.000000\n2.736774 4.740231 0.000000\n0.000000 0.000000 4.335772\nMn Zn\n2 6\ndirect\n0.666666 0.333332 0.750000 Mn\n0.333332 0.666666 0.250000 Mn\n0.831427 0.168572 0.250000 Zn\n0.831426 0.662855 0.250000 Zn\n0.337144 0.168572 0.250000 Zn\n0.168572 0.831427 0.750000 Zn\n0.168572 0.337144 0.750000 Zn\n0.662855 0.831426 0.750000 Zn\n",
"nsites": 8,
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"elements": [
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"Zn"
],
"chemical_system": "Mn-Zn",
"density": 7.414867887407864,
"density_atomic": 0.0711140009951707,
"volume": 112.49542829889819,
"volume_molar": 8.468291300905653,
"formula_full": "Mn2 Zn6",
"formula_reduced": "MnZn3",
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"energy_above_hull": 0.0038499999999999,
"spacegroup": 194
},
{
"id": "jvasp-99753",
"created_at": "2022-09-04T14:36:13.549256Z",
"updated_at": "2022-09-04T14:36:13.549286Z",
"structure_string": "Ba1 Yb3\n1.0\n5.594016 0.000000 -0.000000\n0.000000 5.594016 0.000000\n0.000000 0.000000 5.594016\nYb Ba\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Yb",
"density": 6.226982608401108,
"density_atomic": 0.0228501407064531,
"volume": 175.05362664442418,
"volume_molar": 26.354939505030224,
"formula_full": "Ba1 Yb3",
"formula_reduced": "BaYb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0038374999999999,
"spacegroup": 221
},
{
"id": "jvasp-4304",
"created_at": "2022-09-04T14:38:06.983406Z",
"updated_at": "2022-09-04T14:38:06.983418Z",
"structure_string": "Rb8 Te4\n1.0\n6.068502 0.000000 0.000000\n0.000000 7.827032 0.000000\n0.000000 0.000000 10.513159\nRb Te\n8 4\ndirect\n0.250000 0.999694 0.248714 Rb\n0.750000 0.000305 0.751286 Rb\n0.250000 0.499694 0.251286 Rb\n0.750000 0.500305 0.748714 Rb\n0.250000 0.751635 0.583305 Rb\n0.750000 0.248365 0.416695 Rb\n0.250000 0.251635 0.916695 Rb\n0.750000 0.748365 0.083305 Rb\n0.250000 0.750400 0.916624 Te\n0.750000 0.249600 0.083376 Te\n0.250000 0.250400 0.583376 Te\n0.750000 0.749600 0.416624 Te\n",
"nsites": 12,
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"elements": [
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],
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"density": 3.970940456369725,
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"volume": 499.3578040443069,
"volume_molar": 25.060024879660943,
"formula_full": "Rb8 Te4",
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"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-115693",
"created_at": "2022-09-04T14:38:48.372179Z",
"updated_at": "2022-09-04T14:38:48.372205Z",
"structure_string": "In1 Sn1 Br3\n1.0\n4.066516 2.347804 3.485847\n-4.066516 2.347804 3.485847\n0.000000 -4.695608 3.485847\nIn Sn Br\n1 1 3\ndirect\n0.908413 0.908413 0.908415 In\n0.506158 0.506158 0.506159 Sn\n0.012457 0.531532 0.531532 Br\n0.531532 0.012457 0.531532 Br\n0.531532 0.531532 0.012458 Br\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.935379762266172,
"density_atomic": 0.025039526329782177,
"volume": 199.68428851838812,
"volume_molar": 24.0505378603637,
"formula_full": "In1 Sn1 Br3",
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"formula_anonymous": "ABC3",
"energy_above_hull": 0.0037979999999999,
"spacegroup": 160
},
{
"id": "jvasp-80690",
"created_at": "2022-09-04T14:37:15.808201Z",
"updated_at": "2022-09-04T14:37:15.808225Z",
"structure_string": "Ca2 Zn1 Ga1\n1.0\n-11.970142 4.015223 -0.354133\n-8.521702 1.289008 2.341687\n-7.033076 5.499478 -0.236689\nCa Zn Ga\n2 1 1\ndirect\n0.749977 0.000013 0.000012 Ca\n0.250023 -0.000012 -0.000012 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000000 Ga\n",
"nsites": 4,
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"volume": 96.96369170968268,
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"formula_full": "Ca2 Zn1 Ga1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}