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"results": [
{
"id": "jvasp-119086",
"created_at": "2022-09-04T14:38:48.524802Z",
"updated_at": "2022-09-04T14:38:48.524832Z",
"structure_string": "Pr2 Cu18 Sn8\n1.0\n7.783845 -0.015493 -3.991350\n-2.912731 7.218343 -3.991350\n0.010477 0.015493 8.747514\nPr Cu Sn\n2 18 8\ndirect\n0.750000 0.750000 -0.000000 Pr\n0.250000 0.250000 -0.000000 Pr\n0.077025 0.779910 0.500000 Cu\n0.720089 0.422975 0.500000 Cu\n0.422975 0.922974 0.702885 Cu\n0.922975 0.220089 0.500000 Cu\n0.279911 0.577025 0.500000 Cu\n0.577025 0.077025 0.297114 Cu\n0.779911 0.279911 0.702885 Cu\n0.500000 0.000000 0.500000 Cu\n0.220089 0.720089 0.297114 Cu\n0.447592 0.355364 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.644636 0.144636 0.092229 Cu\n0.947592 0.447593 0.092228 Cu\n0.855363 0.947592 0.499999 Cu\n0.355364 0.855363 0.907771 Cu\n0.052408 0.552407 0.907771 Cu\n0.144636 0.052407 0.500000 Cu\n0.552407 0.644636 0.500000 Cu\n0.029397 0.220868 0.250265 Sn\n0.720868 0.529397 0.250265 Sn\n0.279132 0.470603 0.749734 Sn\n0.529397 0.279131 0.808529 Sn\n0.220868 0.970603 0.191470 Sn\n0.470603 0.720868 0.191470 Sn\n0.779131 0.029397 0.808529 Sn\n0.970603 0.779131 0.749734 Sn\n",
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"formula_full": "Pr2 Cu18 Sn8",
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{
"id": "jvasp-117792",
"created_at": "2022-09-04T14:38:48.505583Z",
"updated_at": "2022-09-04T14:38:48.505608Z",
"structure_string": "I2 Br1\n1.0\n4.349434 -1.049828 0.813130\n-0.641091 -4.245619 -0.266414\n-0.959715 -3.031680 -6.079559\nI Br\n2 1\ndirect\n0.667496 0.002745 0.375638 I\n0.359743 -0.008079 0.699898 I\n0.989746 0.004175 0.056426 Br\n",
"nsites": 3,
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"elements": [
"I",
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],
"chemical_system": "Br-I",
"density": 4.9993550344370075,
"density_atomic": 0.027065315240995973,
"volume": 110.84297276005434,
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"formula_full": "I2 Br1",
"formula_reduced": "I2Br",
"formula_anonymous": "AB2",
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"spacegroup": 1
},
{
"id": "jvasp-111236",
"created_at": "2022-09-04T14:38:48.499205Z",
"updated_at": "2022-09-04T14:38:48.499228Z",
"structure_string": "Rb2 Li1 Ga1 F6\n1.0\n5.015136 -0.000000 2.895490\n1.671712 4.728315 2.895490\n-0.000000 -0.000000 5.790980\nRb Li Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.750000 Rb\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Ga\n0.236885 0.236885 0.763115 F\n0.236884 0.763116 0.763115 F\n0.763116 0.763116 0.236884 F\n0.236884 0.763116 0.236884 F\n0.763116 0.236885 0.763115 F\n0.763116 0.236885 0.236884 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ga",
"F"
],
"chemical_system": "F-Ga-Li-Rb",
"density": 4.372444952676534,
"density_atomic": 0.07282136558339279,
"volume": 137.32233555203393,
"volume_molar": 8.269744341863007,
"formula_full": "Rb2 Li1 Ga1 F6",
"formula_reduced": "Rb2LiGaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110718",
"created_at": "2022-09-04T14:38:48.481966Z",
"updated_at": "2022-09-04T14:38:48.481988Z",
"structure_string": "Rb2 In1 As1 I6\n1.0\n7.362709 0.000000 4.250862\n2.454236 6.941629 4.250862\n-0.000000 0.000000 8.501724\nRb In As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 In\n0.000000 0.000000 0.000000 As\n0.759263 0.240737 0.240737 I\n0.240737 0.240737 0.759262 I\n0.240738 0.759263 0.759262 I\n0.240738 0.759263 0.240737 I\n0.759263 0.240737 0.759262 I\n0.759263 0.759263 0.240737 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"In",
"As",
"I"
],
"chemical_system": "As-I-In-Rb",
"density": 4.288203677691847,
"density_atomic": 0.023014098275604435,
"volume": 434.51626391116395,
"volume_molar": 26.167181037823376,
"formula_full": "Rb2 In1 As1 I6",
"formula_reduced": "Rb2InAsI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-120994",
"created_at": "2022-09-04T14:38:53.852449Z",
"updated_at": "2022-09-04T14:38:53.852465Z",
"structure_string": "Tl1 Cu1 F4\n1.0\n3.815387 0.000000 0.000000\n0.000000 3.815387 -0.000000\n-0.000000 0.000000 6.133277\nTl Cu F\n1 1 4\ndirect\n0.500001 0.500001 0.500001 Tl\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.699002 F\n0.000000 0.000000 0.300999 F\n0.500001 0.000000 0.000000 F\n0.000000 0.500001 0.000000 F\n",
"nsites": 6,
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"elements": [
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"Cu",
"F"
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"chemical_system": "Cu-F-Tl",
"density": 6.3964710283738775,
"density_atomic": 0.06720188881833865,
"volume": 89.28320476555812,
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"formula_full": "Tl1 Cu1 F4",
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"spacegroup": 123
},
{
"id": "jvasp-118245",
"created_at": "2022-09-04T14:38:50.126781Z",
"updated_at": "2022-09-04T14:38:50.126805Z",
"structure_string": "Li1 In1 F4\n1.0\n3.621016 0.007870 0.027185\n0.014813 3.622785 0.030164\n0.424275 0.405186 5.038456\nLi In F\n1 1 4\ndirect\n0.500000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.459157 0.953239 0.249355 F\n0.952553 0.459993 0.249234 F\n0.540843 0.046760 0.750646 F\n0.047446 0.540006 0.750766 F\n",
"nsites": 6,
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"elements": [
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"density": 4.974720694365963,
"density_atomic": 0.09089680641683974,
"volume": 66.0089197466945,
"volume_molar": 6.625250102168964,
"formula_full": "Li1 In1 F4",
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"spacegroup": 12
},
{
"id": "jvasp-117798",
"created_at": "2022-09-04T14:38:48.585582Z",
"updated_at": "2022-09-04T14:38:48.585601Z",
"structure_string": "I1 Br3\n1.0\n5.822527 -0.632427 -0.213850\n4.891228 -4.552760 0.982686\n-0.174135 1.406470 -6.701782\nI Br\n1 3\ndirect\n0.138656 0.559634 0.528508 I\n0.746153 0.164438 0.935176 Br\n0.392374 0.699832 0.292265 Br\n0.926496 0.428119 0.729745 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"I",
"Br"
],
"chemical_system": "Br-I",
"density": 4.122216822402153,
"density_atomic": 0.02708505698756472,
"volume": 147.68290876539334,
"volume_molar": 22.234181610785914,
"formula_full": "I1 Br3",
"formula_reduced": "IBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 1
},
{
"id": "jvasp-120403",
"created_at": "2022-09-04T14:38:53.776632Z",
"updated_at": "2022-09-04T14:38:53.776661Z",
"structure_string": "Rb2 Au1 Se1\n1.0\n0.000000 4.052367 4.052367\n4.052367 -0.000000 4.052367\n4.052367 4.052367 -0.000000\nRb Au Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750001 0.750001 Rb\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"Au",
"Se"
],
"chemical_system": "Au-Rb-Se",
"density": 5.5752761167696985,
"density_atomic": 0.03005409711705191,
"volume": 133.09333447686586,
"volume_molar": 20.03766986093618,
"formula_full": "Rb2 Au1 Se1",
"formula_reduced": "Rb2AuSe",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-110885",
"created_at": "2022-09-04T14:38:49.545620Z",
"updated_at": "2022-09-04T14:38:49.545638Z",
"structure_string": "Yb1 Ag2 Pb1\n1.0\n4.349216 -0.000000 2.511021\n1.449739 4.100480 2.511021\n-0.000000 -0.000000 5.022042\nYb Ag Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750001 0.750000 0.749999 Ag\n0.250000 0.250000 0.250000 Ag\n0.500001 0.500000 0.499999 Pb\n",
"nsites": 4,
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"Ag",
"Pb"
],
"chemical_system": "Ag-Pb-Yb",
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"density_atomic": 0.04466156896850857,
"volume": 89.56246035199636,
"volume_molar": 13.483943576291033,
"formula_full": "Yb1 Ag2 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-120470",
"created_at": "2022-09-04T14:38:50.949646Z",
"updated_at": "2022-09-04T14:38:50.949675Z",
"structure_string": "Rb4 Dy4 Br12\n1.0\n7.506654 0.000000 0.000000\n0.000000 8.101209 0.000000\n-0.000000 -0.000000 11.182648\nRb Dy Br\n4 4 12\ndirect\n0.022270 0.437077 0.250000 Rb\n0.977729 0.562923 0.750000 Rb\n0.522270 0.062923 0.750000 Rb\n0.477729 0.937078 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 -0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.447415 0.493428 0.750000 Br\n0.552584 0.506572 0.250000 Br\n0.804567 0.297112 0.527661 Br\n0.195433 0.702888 0.472340 Br\n0.304567 0.202888 0.472340 Br\n0.695433 0.797112 0.972340 Br\n0.695433 0.797112 0.527661 Br\n0.804567 0.297112 0.972340 Br\n0.052585 0.993428 0.750000 Br\n0.304567 0.202888 0.027661 Br\n0.195433 0.702888 0.027661 Br\n0.947415 0.006572 0.250000 Br\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Br-Dy-Rb",
"density": 4.763245503763894,
"density_atomic": 0.02940959919604644,
"volume": 680.0500702739471,
"volume_molar": 20.476786235188005,
"formula_full": "Rb4 Dy4 Br12",
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},
{
"id": "jvasp-113493",
"created_at": "2022-09-04T14:38:49.538837Z",
"updated_at": "2022-09-04T14:38:49.538864Z",
"structure_string": "Rb2 Cl2\n1.0\n4.637368 -0.000000 -0.000000\n0.000000 4.637368 -0.000000\n0.000000 0.000000 6.581045\nRb Cl\n2 2\ndirect\n0.000000 0.000000 0.250016 Rb\n0.500000 0.500000 0.749984 Rb\n0.000000 0.000000 0.749988 Cl\n0.500000 0.500000 0.250011 Cl\n",
"nsites": 4,
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"formula_full": "Rb2 Cl2",
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},
{
"id": "jvasp-111223",
"created_at": "2022-09-04T14:38:51.308547Z",
"updated_at": "2022-09-04T14:38:51.308569Z",
"structure_string": "Na3 Sb1 Br6\n1.0\n6.844539 -0.000000 3.951696\n2.281513 6.453093 3.951696\n-0.000000 -0.000000 7.903393\nNa Sb Br\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.750686 0.249314 0.249315 Br\n0.249314 0.249314 0.750686 Br\n0.249314 0.750685 0.750686 Br\n0.249314 0.750685 0.249315 Br\n0.750686 0.249314 0.750686 Br\n0.750686 0.750685 0.249315 Br\n",
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"volume": 349.08059254178744,
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"formula_full": "Na3 Sb1 Br6",
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}
]
}