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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4598",
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"results": [
{
"id": "jvasp-32829",
"created_at": "2022-09-04T14:36:37.572015Z",
"updated_at": "2022-09-04T14:36:37.572044Z",
"structure_string": "Pb4 I4 Br4\n1.0\n4.454967 0.000000 0.000000\n-0.000000 8.731626 0.000000\n0.000000 0.000000 10.567566\nPb I Br\n4 4 4\ndirect\n0.750000 0.163592 0.844643 Pb\n0.250000 0.836409 0.155357 Pb\n0.250000 0.336408 0.344643 Pb\n0.750000 0.663592 0.655357 Pb\n0.250000 0.997998 0.670126 I\n0.750000 0.502003 0.170126 I\n0.750000 0.002002 0.329874 I\n0.250000 0.497998 0.829875 I\n0.750000 0.341652 0.553474 Br\n0.250000 0.658348 0.446526 Br\n0.750000 0.841652 0.946526 Br\n0.250000 0.158348 0.053475 Br\n",
"nsites": 12,
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],
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"volume": 411.06886668139435,
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{
"id": "jvasp-93800",
"created_at": "2022-09-04T14:36:12.857577Z",
"updated_at": "2022-09-04T14:36:12.857589Z",
"structure_string": "Yb2 Zn2 Pb2\n1.0\n-2.356452 -4.081566 0.000000\n-2.356452 4.081566 0.000000\n0.000000 0.000000 -7.537199\nYb Zn Pb\n2 2 2\ndirect\n0.999988 0.000011 0.258976 Yb\n0.000011 0.999988 0.758976 Yb\n0.333325 0.666674 0.441276 Zn\n0.666674 0.333325 0.941276 Zn\n0.333336 0.666663 0.040748 Pb\n0.666663 0.333336 0.540748 Pb\n",
"nsites": 6,
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"elements": [
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},
{
"id": "jvasp-99730",
"created_at": "2022-09-04T14:36:32.484226Z",
"updated_at": "2022-09-04T14:36:32.484242Z",
"structure_string": "Rb2 Li1 Tm1 Cl6\n1.0\n6.257527 0.000000 3.612785\n2.085842 5.899653 3.612785\n-0.000000 0.000000 7.225571\nRb Li Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Tm\n0.747461 0.252539 0.252540 Cl\n0.252540 0.252539 0.747461 Cl\n0.252540 0.747460 0.747461 Cl\n0.252540 0.747460 0.252540 Cl\n0.747461 0.252539 0.747461 Cl\n0.747461 0.747460 0.252541 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Tm",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Tm",
"density": 3.4831339560989822,
"density_atomic": 0.03748854858217678,
"volume": 266.74812384585914,
"volume_molar": 16.063947492656762,
"formula_full": "Rb2 Li1 Tm1 Cl6",
"formula_reduced": "Rb2LiTmCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103202",
"created_at": "2022-09-04T14:36:37.606303Z",
"updated_at": "2022-09-04T14:36:37.606350Z",
"structure_string": "Rb2 Na1 La1 Cl6\n1.0\n6.652633 0.000000 3.840900\n2.217544 6.272163 3.840900\n-0.000000 -0.000000 7.681799\nRb Na La Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.746724 0.253275 0.253276 Cl\n0.253275 0.253275 0.746725 Cl\n0.253275 0.746724 0.746725 Cl\n0.253275 0.746724 0.253276 Cl\n0.746724 0.253275 0.746725 Cl\n0.746724 0.746724 0.253276 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Na",
"La",
"Cl"
],
"chemical_system": "Cl-La-Na-Rb",
"density": 2.8262390469950094,
"density_atomic": 0.031197957254856377,
"volume": 320.5338066947754,
"volume_molar": 19.30299702254568,
"formula_full": "Rb2 Na1 La1 Cl6",
"formula_reduced": "Rb2NaLaCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105729",
"created_at": "2022-09-04T14:36:18.165605Z",
"updated_at": "2022-09-04T14:36:18.165631Z",
"structure_string": "Ca2 Cd6\n1.0\n6.682755 -0.000000 -0.000000\n-3.341376 5.787436 0.000000\n0.000000 -0.000000 5.059167\nCa Cd\n2 6\ndirect\n0.333333 0.666667 0.750001 Ca\n0.666666 0.333333 0.250000 Ca\n0.160354 0.320709 0.250000 Cd\n0.679290 0.839646 0.250000 Cd\n0.160354 0.839646 0.250000 Cd\n0.839645 0.679291 0.750001 Cd\n0.320709 0.160355 0.750001 Cd\n0.839645 0.160355 0.750001 Cd\n",
"nsites": 8,
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"elements": [
"Ca",
"Cd"
],
"chemical_system": "Ca-Cd",
"density": 6.404095555475433,
"density_atomic": 0.04088549222142068,
"volume": 195.66842822082128,
"volume_molar": 14.729285212921777,
"formula_full": "Ca2 Cd6",
"formula_reduced": "CaCd3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-102087",
"created_at": "2022-09-04T14:36:32.703347Z",
"updated_at": "2022-09-04T14:36:32.703361Z",
"structure_string": "Rb2 Na1 Lu1 Cl6\n1.0\n6.416325 0.000000 3.704467\n2.138775 6.049369 3.704467\n-0.000000 -0.000000 7.408934\nRb Na Lu Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Lu\n0.755854 0.244145 0.244146 Cl\n0.244145 0.244145 0.755855 Cl\n0.244144 0.755855 0.755855 Cl\n0.244144 0.755855 0.244146 Cl\n0.755854 0.244145 0.755855 Cl\n0.755854 0.755855 0.244146 Cl\n",
"nsites": 10,
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"elements": [
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"Na",
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"Cl"
],
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"density": 3.358374177839368,
"density_atomic": 0.034773455046415394,
"volume": 287.57568054862713,
"volume_molar": 17.318212274166264,
"formula_full": "Rb2 Na1 Lu1 Cl6",
"formula_reduced": "Rb2NaLuCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-100876",
"created_at": "2022-09-04T14:36:37.634911Z",
"updated_at": "2022-09-04T14:36:37.634931Z",
"structure_string": "Na2 Hg1 As1 Cl6\n1.0\n6.440868 -0.000000 3.718637\n2.146956 6.072509 3.718637\n-0.000000 -0.000000 7.437274\nNa Hg As Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.762196 0.237805 0.237805 Cl\n0.237805 0.237805 0.762195 Cl\n0.237805 0.762196 0.762195 Cl\n0.237805 0.762196 0.237805 Cl\n0.762196 0.237805 0.762195 Cl\n0.762196 0.762196 0.237805 Cl\n",
"nsites": 10,
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"elements": [
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"As",
"Cl"
],
"chemical_system": "As-Cl-Hg-Na",
"density": 3.0495380941698826,
"density_atomic": 0.034377449460941754,
"volume": 290.8883630637459,
"volume_molar": 17.517706678158625,
"formula_full": "Na2 Hg1 As1 Cl6",
"formula_reduced": "Na2HgAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102088",
"created_at": "2022-09-04T14:36:32.492140Z",
"updated_at": "2022-09-04T14:36:32.492155Z",
"structure_string": "Rb2 Tl1 Ir1 F6\n1.0\n5.639043 -0.000000 3.255703\n1.879681 5.316541 3.255703\n-0.000000 -0.000000 6.511406\nRb Tl Ir 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 Tl\n0.000000 0.000000 0.000000 Ir\n0.779066 0.220934 0.220933 F\n0.220933 0.220934 0.779067 F\n0.220933 0.779066 0.779067 F\n0.220933 0.779066 0.220933 F\n0.779066 0.220934 0.779067 F\n0.779066 0.779066 0.220933 F\n",
"nsites": 10,
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"elements": [
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"Ir",
"F"
],
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"density": 5.7972546887438945,
"density_atomic": 0.051226024271859884,
"volume": 195.21327571566636,
"volume_molar": 11.756018245804327,
"formula_full": "Rb2 Tl1 Ir1 F6",
"formula_reduced": "Rb2TlIrF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100156",
"created_at": "2022-09-04T14:36:38.632573Z",
"updated_at": "2022-09-04T14:36:38.632600Z",
"structure_string": "Cd1 Sn1\n1.0\n3.340388 0.000000 -0.000000\n-1.670193 2.892860 0.000000\n0.000000 0.000000 5.392324\nCd Sn\n1 1\ndirect\n0.333334 0.666667 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Cd-Sn",
"density": 7.365261909032762,
"density_atomic": 0.03838218419424425,
"volume": 52.10750878267938,
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"formula_full": "Cd1 Sn1",
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"formula_anonymous": "AB",
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},
{
"id": "jvasp-65709",
"created_at": "2022-09-04T14:36:20.935878Z",
"updated_at": "2022-09-04T14:36:20.935905Z",
"structure_string": "Ba2 Hg1 Te1\n1.0\n-0.000000 4.188771 4.188771\n4.188771 0.000000 4.188771\n4.188771 4.188771 -0.000000\nBa Hg Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
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],
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"density": 6.810267802923037,
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"volume": 146.9906972873741,
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"formula_full": "Ba2 Hg1 Te1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-54988",
"created_at": "2022-09-04T14:37:11.735474Z",
"updated_at": "2022-09-04T14:37:11.735491Z",
"structure_string": "Ca12 Hg4\n1.0\n8.159607 0.000000 -2.884857\n-4.079803 7.066427 -2.884857\n-0.000000 -0.000000 8.654571\nCa Hg\n12 4\ndirect\n0.250000 0.500000 0.750000 Ca\n0.750001 0.500000 0.250000 Ca\n0.000000 0.250000 0.250000 Ca\n0.500000 0.250000 0.750000 Ca\n0.750000 0.000000 0.750000 Ca\n0.000000 0.750000 0.750000 Ca\n0.250000 0.000000 0.250000 Ca\n0.250000 0.250000 -0.000000 Ca\n0.250001 0.750000 0.500000 Ca\n0.500001 0.750000 0.250000 Ca\n0.750000 0.250000 0.500000 Ca\n0.750001 0.750000 -0.000000 Ca\n0.500000 0.000000 -0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.000000 0.500000 -0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 16,
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},
{
"id": "jvasp-94763",
"created_at": "2022-09-04T14:36:18.162670Z",
"updated_at": "2022-09-04T14:36:18.162693Z",
"structure_string": "Na1 Mg6 Al1\n1.0\n6.415825 -0.005889 0.000000\n-3.213012 5.565100 0.000000\n0.000000 0.000000 5.130390\nNa Mg Al\n1 6 1\ndirect\n0.168645 0.834322 0.250000 Na\n0.668651 0.336588 0.250000 Mg\n0.668651 0.832063 0.250000 Mg\n0.329961 0.171340 0.750000 Mg\n0.329961 0.658622 0.750000 Mg\n0.834341 0.167171 0.750000 Mg\n0.827267 0.663632 0.750000 Mg\n0.172528 0.336265 0.250000 Al\n",
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"formula_full": "Na1 Mg6 Al1",
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]
}