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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=472",
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"results": [
{
"id": "jvasp-111203",
"created_at": "2022-09-04T14:38:49.037517Z",
"updated_at": "2022-09-04T14:38:49.037538Z",
"structure_string": "Na2 Tl1 Cu1 Br6\n1.0\n6.599524 0.000000 3.810237\n2.199841 6.222091 3.810237\n-0.000000 -0.000000 7.620474\nNa Tl Cu Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\n0.737239 0.262760 0.262761 Br\n0.262760 0.262760 0.737240 Br\n0.262760 0.737240 0.737240 Br\n0.262760 0.737240 0.262761 Br\n0.737239 0.262760 0.737240 Br\n0.737239 0.737240 0.262761 Br\n",
"nsites": 10,
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"volume": 312.9182960869234,
"volume_molar": 18.8443802541481,
"formula_full": "Na2 Tl1 Cu1 Br6",
"formula_reduced": "Na2TlCuBr6",
"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-100399",
"created_at": "2022-09-04T14:36:42.078971Z",
"updated_at": "2022-09-04T14:36:42.078981Z",
"structure_string": "Ga1 Ag1 Te2\n1.0\n4.380813 0.000000 0.000000\n0.000000 4.380813 0.000000\n0.000000 0.000000 6.521970\nGa Ag Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.259043 Te\n0.500000 0.000000 0.740957 Te\n",
"nsites": 4,
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"elements": [
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"density": 5.741684065090431,
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"volume": 125.16653426652358,
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"formula_full": "Ga1 Ag1 Te2",
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{
"id": "jvasp-79216",
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"updated_at": "2022-09-04T14:37:12.884662Z",
"structure_string": "Ca3 Pb1\n1.0\n5.002195 0.000000 0.000000\n-0.000000 5.002195 0.000000\n-0.000000 -0.000000 5.002195\nCa Pb\n3 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 4.344012014127686,
"density_atomic": 0.03195789297537636,
"volume": 125.1646972809506,
"volume_molar": 18.843985630216846,
"formula_full": "Ca3 Pb1",
"formula_reduced": "Ca3Pb",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-18643",
"created_at": "2022-09-04T14:36:56.075641Z",
"updated_at": "2022-09-04T14:36:56.075661Z",
"structure_string": "Ca3 Pb1\n1.0\n5.002171 -0.000000 -0.000000\n-0.000000 5.002171 -0.000000\n0.000000 0.000000 5.002171\nCa Pb\n3 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
"Ca",
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],
"chemical_system": "Ca-Pb",
"density": 4.344074541051629,
"density_atomic": 0.03195835297151288,
"volume": 125.16289570884742,
"volume_molar": 18.843714397196976,
"formula_full": "Ca3 Pb1",
"formula_reduced": "Ca3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2500000000002093e-05,
"spacegroup": 221
},
{
"id": "jvasp-4666",
"created_at": "2022-09-04T14:38:16.716296Z",
"updated_at": "2022-09-04T14:38:16.716317Z",
"structure_string": "Ga4 Te4\n1.0\n2.061807 -3.571154 0.000000\n2.061807 3.571154 0.000000\n0.000000 0.000000 16.998045\nGa Te\n4 4\ndirect\n0.333334 0.666668 0.177729 Ga\n0.666668 0.333334 0.677729 Ga\n0.666668 0.333334 0.822271 Ga\n0.333334 0.666668 0.322271 Ga\n0.333334 0.666668 0.897381 Te\n0.666668 0.333334 0.397381 Te\n0.666668 0.333334 0.102618 Te\n0.333334 0.666668 0.602618 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Te"
],
"chemical_system": "Ga-Te",
"density": 5.236019310368794,
"density_atomic": 0.03195982761261061,
"volume": 250.31424127091927,
"volume_molar": 18.842844939575965,
"formula_full": "Ga4 Te4",
"formula_reduced": "GaTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.052032588888889,
"spacegroup": 194
},
{
"id": "jvasp-78592",
"created_at": "2022-09-04T14:37:17.459300Z",
"updated_at": "2022-09-04T14:37:17.459309Z",
"structure_string": "La1 Tl1\n1.0\n3.970078 0.000000 -0.000000\n-0.000000 3.970078 -0.000000\n0.000000 0.000000 3.970078\nLa Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
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"elements": [
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"chemical_system": "La-Tl",
"density": 9.109857336030343,
"density_atomic": 0.031961921271151446,
"volume": 62.574461123060914,
"volume_molar": 18.841610643211023,
"formula_full": "La1 Tl1",
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"spacegroup": 221
},
{
"id": "jvasp-16900",
"created_at": "2022-09-04T14:37:54.053969Z",
"updated_at": "2022-09-04T14:37:54.053995Z",
"structure_string": "Sr4 Si2\n1.0\n2.699244 -4.675229 0.000000\n2.699244 4.675229 -0.000000\n0.000000 0.000000 7.437674\nSr Si\n4 2\ndirect\n0.666666 0.333332 0.250000 Sr\n0.333332 0.666666 0.750000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.250000 Si\n0.666666 0.333332 0.750000 Si\n",
"nsites": 6,
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"elements": [
"Sr",
"Si"
],
"chemical_system": "Si-Sr",
"density": 3.5971518763305816,
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"volume": 187.72070103995227,
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"formula_full": "Sr4 Si2",
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"spacegroup": 194
},
{
"id": "jvasp-4831",
"created_at": "2022-09-04T14:36:34.926942Z",
"updated_at": "2022-09-04T14:36:34.926963Z",
"structure_string": "Sr4 Si2\n1.0\n2.699244 -4.675229 0.000000\n2.699244 4.675229 0.000000\n0.000000 0.000000 7.437674\nSr Si\n4 2\ndirect\n0.666666 0.333332 0.250000 Sr\n0.333332 0.666666 0.750000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.250000 Si\n0.666666 0.333332 0.750000 Si\n",
"nsites": 6,
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"elements": [
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],
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"density": 3.5971518763305816,
"density_atomic": 0.03196237797302403,
"volume": 187.72070103995227,
"volume_molar": 18.841341420474514,
"formula_full": "Sr4 Si2",
"formula_reduced": "Sr2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4635837399999997,
"spacegroup": 194
},
{
"id": "jvasp-55602",
"created_at": "2022-09-04T14:36:40.311686Z",
"updated_at": "2022-09-04T14:36:40.311727Z",
"structure_string": "Rb8 Cd2 Cl12\n1.0\n8.829709 0.031132 0.123925\n0.122635 8.828912 0.123925\n0.031456 0.031132 8.830523\nRb Cd Cl\n8 2 12\ndirect\n0.874909 0.250000 0.625091 Rb\n0.625091 0.874909 0.250001 Rb\n0.250000 0.625091 0.874909 Rb\n0.125091 0.750000 0.374909 Rb\n0.374909 0.125091 0.750000 Rb\n0.750000 0.374909 0.125092 Rb\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.289671 0.939231 0.070570 Cl\n0.439231 0.789672 0.570570 Cl\n0.429431 0.560768 0.210329 Cl\n0.210328 0.429431 0.560769 Cl\n0.560769 0.210328 0.429431 Cl\n0.060769 0.929431 0.710328 Cl\n0.710329 0.060768 0.929431 Cl\n0.929431 0.710328 0.060770 Cl\n0.570569 0.439231 0.789672 Cl\n0.789672 0.570569 0.439232 Cl\n0.070569 0.289672 0.939231 Cl\n0.939231 0.070569 0.289672 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-Rb",
"density": 3.218319487267843,
"density_atomic": 0.03196294433891215,
"volume": 688.2970406833542,
"volume_molar": 18.841007562211843,
"formula_full": "Rb8 Cd2 Cl12",
"formula_reduced": "Rb4CdCl6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-12502",
"created_at": "2022-09-04T14:37:33.540861Z",
"updated_at": "2022-09-04T14:37:33.540897Z",
"structure_string": "Pr4 Br10\n1.0\n0.000000 7.799940 -0.314329\n4.189085 0.000000 0.000000\n0.000000 -0.202861 -13.396699\nPr Br\n4 10\ndirect\n0.072620 0.750001 0.160759 Pr\n0.927380 0.250000 0.839241 Pr\n0.573272 0.750001 0.658588 Pr\n0.426728 0.250000 0.341412 Pr\n0.672988 0.750001 0.270207 Br\n0.327012 0.250000 0.729793 Br\n0.153862 0.750001 0.931465 Br\n0.846138 0.250000 0.068535 Br\n0.694912 0.250000 0.509771 Br\n0.305088 0.750001 0.490229 Br\n0.044779 0.250000 0.323815 Br\n0.955222 0.750001 0.676185 Br\n0.351052 0.250000 0.120378 Br\n0.648948 0.750001 0.879622 Br\n",
"nsites": 14,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Br-Pr",
"density": 5.166147602363673,
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"volume": 437.99905468670215,
"volume_molar": 18.840656857644703,
"formula_full": "Pr4 Br10",
"formula_reduced": "Pr2Br5",
"formula_anonymous": "A2B5",
"energy_above_hull": 0.3426618976190476,
"spacegroup": 11
},
{
"id": "jvasp-88834",
"created_at": "2022-09-04T14:35:50.908306Z",
"updated_at": "2022-09-04T14:35:50.908332Z",
"structure_string": "Na12 Sb4 Te12\n1.0\n9.568210 0.000000 -0.000000\n0.000000 9.568210 0.000000\n-0.000000 -0.000000 9.568210\nNa Sb Te\n12 4 12\ndirect\n0.586874 0.913126 0.086874 Na\n0.182274 0.182274 0.182274 Na\n0.317726 0.817726 0.682274 Na\n0.682274 0.317726 0.817726 Na\n0.913126 0.086874 0.586874 Na\n0.086874 0.586874 0.913126 Na\n0.413126 0.413126 0.413126 Na\n0.328791 0.171209 0.828791 Na\n0.171209 0.828791 0.328791 Na\n0.828791 0.328791 0.171209 Na\n0.671209 0.671209 0.671209 Na\n0.817726 0.682274 0.317726 Na\n0.541182 0.041182 0.458818 Sb\n0.958818 0.958818 0.958818 Sb\n0.458818 0.541182 0.041182 Sb\n0.041182 0.458818 0.541182 Sb\n0.257171 0.120997 0.503952 Te\n0.742829 0.620997 0.996047 Te\n0.379003 0.496047 0.757171 Te\n0.996047 0.742829 0.620997 Te\n0.496047 0.757171 0.379003 Te\n0.120997 0.503952 0.257171 Te\n0.503952 0.257171 0.120997 Te\n0.620997 0.996047 0.742829 Te\n0.879003 0.003953 0.242829 Te\n0.003953 0.242829 0.879003 Te\n0.242829 0.879003 0.003953 Te\n0.757171 0.379003 0.496047 Te\n",
"nsites": 28,
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],
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"volume": 875.9757740709757,
"volume_molar": 18.840176477876337,
"formula_full": "Na12 Sb4 Te12",
"formula_reduced": "Na3SbTe3",
"formula_anonymous": "AB3C3",
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"spacegroup": 198
},
{
"id": "jvasp-35633",
"created_at": "2022-09-04T14:37:41.278540Z",
"updated_at": "2022-09-04T14:37:41.278562Z",
"structure_string": "Mn1 Ag2 Ge1 Te4\n1.0\n6.227793 -0.000000 -0.000000\n-0.000000 6.227793 -0.000000\n-3.113896 -3.113896 6.452615\nMn Ag Ge Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.249999 0.749999 0.500000 Ag\n0.749999 0.249999 0.500000 Ag\n0.500000 0.500000 0.000000 Ge\n0.366789 0.366789 0.240566 Te\n0.873776 0.873776 0.240566 Te\n0.126222 0.633210 0.759433 Te\n0.633210 0.126222 0.759433 Te\n",
"nsites": 8,
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],
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"volume": 250.26729028375303,
"volume_molar": 18.839310621406764,
"formula_full": "Mn1 Ag2 Ge1 Te4",
"formula_reduced": "MnAg2GeTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1836685972557472,
"spacegroup": 121
}
]
}