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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=445",
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"results": [
{
"id": "jvasp-17886",
"created_at": "2022-09-04T14:37:31.836261Z",
"updated_at": "2022-09-04T14:37:31.836286Z",
"structure_string": "Te1 Pb1\n1.0\n3.990832 0.000000 0.000000\n0.000000 3.990832 -0.000000\n0.000000 0.000000 3.990832\nTe Pb\n1 1\ndirect\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Pb\n",
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"formula_full": "Te1 Pb1",
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{
"id": "jvasp-40629",
"created_at": "2022-09-04T14:37:51.327581Z",
"updated_at": "2022-09-04T14:37:51.327602Z",
"structure_string": "Sr1 Ac1 Hg2\n1.0\n-0.000000 3.990802 3.990802\n3.990802 -0.000000 3.990802\n3.990802 3.990802 -0.000000\nSr Ac Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
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"formula_full": "Sr1 Ac1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-3060",
"created_at": "2022-09-04T14:37:16.226042Z",
"updated_at": "2022-09-04T14:37:16.226074Z",
"structure_string": "K4 Be1 P2\n1.0\n5.283641 0.010900 7.231143\n2.368218 4.723191 7.231143\n0.017619 0.010900 8.955779\nK Be P\n4 1 2\ndirect\n0.623434 0.623434 0.623434 K\n0.376566 0.376566 0.376566 K\n0.791365 0.791365 0.791364 K\n0.208635 0.208635 0.208635 K\n0.000000 0.000000 0.000000 Be\n0.920606 0.920606 0.920605 P\n0.079394 0.079394 0.079394 P\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Be",
"P"
],
"chemical_system": "Be-K-P",
"density": 1.6972457156093748,
"density_atomic": 0.031469739934035124,
"volume": 222.4359023834629,
"volume_molar": 19.136290203297616,
"formula_full": "K4 Be1 P2",
"formula_reduced": "K4BeP2",
"formula_anonymous": "AB2C4",
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"spacegroup": 166
},
{
"id": "jvasp-29582",
"created_at": "2022-09-04T14:38:01.779874Z",
"updated_at": "2022-09-04T14:38:01.779913Z",
"structure_string": "Cd4 Hg4 As4 Br4\n1.0\n4.775161 0.000000 0.000000\n0.000000 11.071190 -0.000000\n0.000000 -0.000000 9.617108\nCd Hg As Br\n4 4 4 4\ndirect\n0.000000 0.924757 0.713109 Cd\n0.000000 0.575243 0.713109 Cd\n0.000000 0.075243 0.286891 Cd\n0.000000 0.424757 0.286891 Cd\n0.500000 0.250000 0.731715 Hg\n0.500000 0.750000 0.268285 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.500000 0.020869 0.735428 As\n0.500000 0.979131 0.264572 As\n0.500000 0.479131 0.735428 As\n0.500000 0.520869 0.264572 As\n0.000000 0.250000 0.489586 Br\n0.000000 0.750000 0.510414 Br\n0.000000 0.750000 0.928719 Br\n0.000000 0.250000 0.071281 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Hg",
"As",
"Br"
],
"chemical_system": "As-Br-Cd-Hg",
"density": 6.111772559333636,
"density_atomic": 0.031469740846828256,
"volume": 508.4249049865498,
"volume_molar": 19.13628964824143,
"formula_full": "Cd4 Hg4 As4 Br4",
"formula_reduced": "CdHgAsBr",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 51
},
{
"id": "jvasp-117620",
"created_at": "2022-09-04T14:38:52.154606Z",
"updated_at": "2022-09-04T14:38:52.154629Z",
"structure_string": "Ba1 Se2\n1.0\n5.105974 -0.616452 -0.820855\n0.763709 -4.391448 -0.533618\n1.488982 -3.942298 -4.941100\nBa Se\n1 2\ndirect\n0.196017 0.004107 0.063358 Ba\n0.899850 0.004138 0.622769 Se\n0.492191 0.004076 0.503947 Se\n",
"nsites": 3,
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"elements": [
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"Se"
],
"chemical_system": "Ba-Se",
"density": 5.143475805542901,
"density_atomic": 0.0314733785345876,
"volume": 95.31865149790502,
"volume_molar": 19.13407787912563,
"formula_full": "Ba1 Se2",
"formula_reduced": "BaSe2",
"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-98965",
"created_at": "2022-09-04T14:36:18.851612Z",
"updated_at": "2022-09-04T14:36:18.851639Z",
"structure_string": "Ba2 Li2 Sb2\n1.0\n4.905607 0.000000 -0.000000\n-2.452804 4.248381 0.000000\n0.000000 0.000000 9.146511\nBa Li Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333333 0.750000 Li\n0.333334 0.666667 0.250000 Li\n0.666668 0.333333 0.250000 Sb\n0.333334 0.666667 0.750000 Sb\n",
"nsites": 6,
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"elements": [
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"Sb"
],
"chemical_system": "Ba-Li-Sb",
"density": 4.634840260245534,
"density_atomic": 0.03147600304136329,
"volume": 190.62140742950342,
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"formula_full": "Ba2 Li2 Sb2",
"formula_reduced": "BaLiSb",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-10271",
"created_at": "2022-09-04T14:38:08.938269Z",
"updated_at": "2022-09-04T14:38:08.938280Z",
"structure_string": "K6 Sb2 Se8\n1.0\n7.981181 -0.045513 -0.173419\n-0.176236 7.979365 -0.173419\n-0.044773 -0.045513 7.982940\nK Sb Se\n6 2 8\ndirect\n0.465206 0.520097 -0.000043 K\n-0.000043 0.465206 0.520097 K\n0.520097 -0.000042 0.465206 K\n0.020096 0.965207 0.499957 K\n0.499958 0.020097 0.965206 K\n0.965206 0.499958 0.020096 K\n0.001030 0.001030 0.001030 Sb\n0.501030 0.501030 0.501030 Sb\n0.200261 0.821400 0.167542 Se\n0.313007 0.313008 0.313007 Se\n0.321400 0.700262 0.667542 Se\n0.167543 0.200262 0.821400 Se\n0.821400 0.167543 0.200261 Se\n0.700261 0.667543 0.321400 Se\n0.667542 0.321400 0.700261 Se\n0.813007 0.813008 0.813007 Se\n",
"nsites": 16,
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"elements": [
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"Sb",
"Se"
],
"chemical_system": "K-Sb-Se",
"density": 3.626222330607478,
"density_atomic": 0.03148361437024576,
"volume": 508.2008632122343,
"volume_molar": 19.12785707885988,
"formula_full": "K6 Sb2 Se8",
"formula_reduced": "K3SbSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.5246741958333334,
"spacegroup": 161
},
{
"id": "jvasp-7640",
"created_at": "2022-09-04T14:36:32.139584Z",
"updated_at": "2022-09-04T14:36:32.139609Z",
"structure_string": "K1 Zn1 Sb1\n1.0\n2.280226 -3.949468 0.000000\n2.280226 3.949468 -0.000000\n-0.000000 0.000000 5.290211\nK Zn Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.333334 0.666668 0.500000 Zn\n0.666668 0.333334 0.500000 Sb\n",
"nsites": 3,
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"elements": [
"K",
"Zn",
"Sb"
],
"chemical_system": "K-Sb-Zn",
"density": 3.9432236455949066,
"density_atomic": 0.031484860406438595,
"volume": 95.28389077394498,
"volume_molar": 19.12710008003873,
"formula_full": "K1 Zn1 Sb1",
"formula_reduced": "KZnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0046,
"spacegroup": 187
},
{
"id": "jvasp-37403",
"created_at": "2022-09-04T14:37:57.702404Z",
"updated_at": "2022-09-04T14:37:57.702424Z",
"structure_string": "Tl3 Br1\n1.0\n-2.368204 2.368204 5.663147\n2.368204 -2.368204 5.663147\n2.368204 2.368204 -5.663147\nTl Br\n3 1\ndirect\n0.749997 0.250000 0.499997 Tl\n0.250000 0.749997 0.499997 Tl\n0.500001 0.500001 0.000000 Tl\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Br"
],
"chemical_system": "Br-Tl",
"density": 9.058578712093803,
"density_atomic": 0.0314850178946373,
"volume": 127.04455221800278,
"volume_molar": 19.127004406199575,
"formula_full": "Tl3 Br1",
"formula_reduced": "Tl3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-100597",
"created_at": "2022-09-04T14:36:32.635731Z",
"updated_at": "2022-09-04T14:36:32.635751Z",
"structure_string": "Dy2 Y6\n1.0\n7.219887 0.000000 -0.000000\n-3.609945 6.252605 0.000000\n-0.000000 -0.000000 5.628422\nDy Y\n2 6\ndirect\n0.333333 0.666668 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.167260 0.334520 0.250000 Y\n0.665480 0.832741 0.250000 Y\n0.167260 0.832741 0.250000 Y\n0.832740 0.665481 0.750000 Y\n0.334520 0.167260 0.750000 Y\n0.832740 0.167260 0.750000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Y"
],
"chemical_system": "Dy-Y",
"density": 5.610202256178487,
"density_atomic": 0.03148559763267084,
"volume": 254.08442594397025,
"volume_molar": 19.12665222447981,
"formula_full": "Dy2 Y6",
"formula_reduced": "DyY3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5320057125,
"spacegroup": 194
},
{
"id": "jvasp-58999",
"created_at": "2022-09-04T14:38:35.832456Z",
"updated_at": "2022-09-04T14:38:35.832467Z",
"structure_string": "Rb6 Nb4 Br18\n1.0\n3.801969 -6.585204 0.000000\n3.801969 6.585204 -0.000000\n-0.000000 0.000000 17.758921\nRb Nb Br\n6 4 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.070671 Rb\n0.666667 0.333333 0.570671 Rb\n0.666667 0.333333 0.929329 Rb\n0.333333 0.666667 0.429329 Rb\n0.333333 0.666667 0.673491 Nb\n0.666667 0.333333 0.173491 Nb\n0.333333 0.666667 0.826509 Nb\n0.666667 0.333333 0.326509 Nb\n0.830607 0.169393 0.090485 Br\n0.830607 0.169393 0.409515 Br\n0.169393 0.830607 0.909515 Br\n0.661215 0.830608 0.590485 Br\n0.169393 0.338785 0.909515 Br\n0.661215 0.830608 0.909515 Br\n0.830608 0.661215 0.090485 Br\n0.169393 0.830607 0.590485 Br\n0.489740 0.510260 0.250000 Br\n0.338785 0.169393 0.090485 Br\n0.979479 0.489740 0.750000 Br\n0.489740 0.979479 0.250000 Br\n0.338785 0.169393 0.409515 Br\n0.510260 0.489740 0.750000 Br\n0.510260 0.020521 0.750000 Br\n0.020521 0.510260 0.250000 Br\n0.169393 0.338785 0.590485 Br\n0.830608 0.661215 0.409515 Br\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.337291882466889,
"density_atomic": 0.031487171935364024,
"volume": 889.2510276082465,
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"formula_full": "Rb6 Nb4 Br18",
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"formula_anonymous": "A2B3C9",
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"spacegroup": 194
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{
"id": "jvasp-114448",
"created_at": "2022-09-04T14:38:40.800338Z",
"updated_at": "2022-09-04T14:38:40.800366Z",
"structure_string": "Ba1 Au1 O1\n1.0\n4.159667 -1.426752 0.000000\n-2.500486 6.225355 0.000000\n0.000000 0.000000 4.267166\nBa Au O\n1 1 1\ndirect\n0.166727 0.333315 0.000000 Ba\n0.166698 -0.166618 0.000000 Au\n0.666576 0.833304 0.000000 O\n",
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"formula_full": "Ba1 Au1 O1",
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}
]
}