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{
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"results": [
{
"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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"volume": 95.28389077394498,
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"formula_full": "K1 Zn1 Sb1",
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{
"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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"chemical_system": "K-Sb-Se",
"density": 3.626222330607478,
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"volume": 508.2008632122343,
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"formula_full": "K6 Sb2 Se8",
"formula_reduced": "K3SbSe4",
"formula_anonymous": "AB3C4",
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"spacegroup": 161
},
{
"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,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Sb"
],
"chemical_system": "Ba-Li-Sb",
"density": 4.634840260245534,
"density_atomic": 0.03147600304136329,
"volume": 190.62140742950342,
"volume_molar": 19.132482456829656,
"formula_full": "Ba2 Li2 Sb2",
"formula_reduced": "BaLiSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2678040233333333,
"spacegroup": 194
},
{
"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,
"nelements": 2,
"elements": [
"Ba",
"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",
"energy_above_hull": 0.744631122222222,
"spacegroup": 12
},
{
"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": [
"Cd",
"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-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",
"energy_above_hull": 0.5937570142857143,
"spacegroup": 166
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ac",
"Hg"
],
"chemical_system": "Ac-Hg-Sr",
"density": 9.350401342497006,
"density_atomic": 0.03146657338165369,
"volume": 127.11902092053545,
"volume_molar": 19.138215931421232,
"formula_full": "Sr1 Ac1 Hg2",
"formula_reduced": "SrAcHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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",
"nsites": 2,
"nelements": 2,
"elements": [
"Te",
"Pb"
],
"chemical_system": "Pb-Te",
"density": 8.746699557457081,
"density_atomic": 0.031465863762627964,
"volume": 63.56094385609722,
"volume_molar": 19.138647536993734,
"formula_full": "Te1 Pb1",
"formula_reduced": "TePb",
"formula_anonymous": "AB",
"energy_above_hull": 0.2875992933333334,
"spacegroup": 221
},
{
"id": "jvasp-103195",
"created_at": "2022-09-04T14:38:39.613463Z",
"updated_at": "2022-09-04T14:38:39.613496Z",
"structure_string": "Rb2 Pr1 Ag1 Cl6\n1.0\n6.633771 0.000000 3.830010\n2.211257 6.254379 3.830010\n0.000000 -0.000000 7.660019\nRb Pr Ag Cl\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 Pr\n0.000000 0.000000 0.000000 Ag\n0.751936 0.248064 0.248064 Cl\n0.248064 0.248064 0.751936 Cl\n0.248065 0.751936 0.751936 Cl\n0.248065 0.751936 0.248064 Cl\n0.751936 0.248064 0.751936 Cl\n0.751936 0.751936 0.248064 Cl\n",
"nsites": 10,
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"elements": [
"Rb",
"Pr",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Pr-Rb",
"density": 3.304354744480003,
"density_atomic": 0.03146483674836644,
"volume": 317.81509244662357,
"volume_molar": 19.1392722236598,
"formula_full": "Rb2 Pr1 Ag1 Cl6",
"formula_reduced": "Rb2PrAgCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-109319",
"created_at": "2022-09-04T14:38:19.273454Z",
"updated_at": "2022-09-04T14:38:19.273480Z",
"structure_string": "Yb4 Mg2\n1.0\n6.183083 -0.014830 0.000000\n-3.138630 5.327263 0.000000\n-0.000000 -0.000000 5.797914\nYb Mg\n4 2\ndirect\n0.657205 0.977817 0.250000 Yb\n0.022182 0.342794 0.750000 Yb\n0.977817 0.657205 0.250000 Yb\n0.342794 0.022182 0.750000 Yb\n0.669362 0.669362 0.750000 Mg\n0.330637 0.330637 0.250000 Mg\n",
"nsites": 6,
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"elements": [
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],
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"density": 6.450087915550639,
"density_atomic": 0.031461860514257624,
"volume": 190.70709430171715,
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"formula_full": "Yb4 Mg2",
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"formula_anonymous": "AB2",
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"spacegroup": 63
},
{
"id": "jvasp-88569",
"created_at": "2022-09-04T14:36:10.538758Z",
"updated_at": "2022-09-04T14:36:10.538789Z",
"structure_string": "Y6 Ru2 I6\n1.0\n4.208640 0.000000 0.000000\n0.000000 8.722528 -0.710700\n0.000000 0.016698 12.121145\nY Ru I\n6 2 6\ndirect\n0.750000 0.868877 0.126101 Y\n0.250000 0.131124 0.873900 Y\n0.750000 0.896151 0.678114 Y\n0.250000 0.103849 0.321886 Y\n0.250000 0.731707 0.892955 Y\n0.750000 0.268293 0.107046 Y\n0.750000 0.940352 0.903792 Ru\n0.250000 0.059649 0.096208 Ru\n0.250000 0.637011 0.629626 I\n0.750000 0.362989 0.370374 I\n0.750000 0.854205 0.392566 I\n0.250000 0.145795 0.607434 I\n0.250000 0.576234 0.135991 I\n0.750000 0.423766 0.864010 I\n",
"nsites": 14,
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],
"chemical_system": "I-Ru-Y",
"density": 5.585922592515428,
"density_atomic": 0.03145947668090087,
"volume": 445.0169385207681,
"volume_molar": 19.142533173973796,
"formula_full": "Y6 Ru2 I6",
"formula_reduced": "Y3RuI3",
"formula_anonymous": "AB3C3",
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"spacegroup": 11
},
{
"id": "jvasp-117863",
"created_at": "2022-09-04T14:38:26.044453Z",
"updated_at": "2022-09-04T14:38:26.044479Z",
"structure_string": "Pb1 Br2\n1.0\n5.570105 -0.000000 0.000000\n-2.785052 4.823852 -0.000000\n-0.000000 0.000000 3.549395\nPb Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333334 0.666667 0.000000 Br\n0.666667 0.333334 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"volume": 95.3699796487356,
"volume_molar": 19.14438139076737,
"formula_full": "Pb1 Br2",
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"formula_anonymous": "AB2",
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"spacegroup": 191
}
]
}