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{
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"results": [
{
"id": "jvasp-74416",
"created_at": "2022-09-04T14:36:10.617495Z",
"updated_at": "2022-09-04T14:36:10.617518Z",
"structure_string": "K1 Be2 Br1\n1.0\n-2.629569 2.629569 3.720025\n2.629569 -2.629569 3.720025\n2.629569 2.629569 -3.720025\nK Be Br\n1 2 1\ndirect\n0.750000 0.250000 0.500000 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.499999 0.499999 0.000000 Br\n",
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"volume": 102.89043237463628,
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"formula_full": "K1 Be2 Br1",
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{
"id": "jvasp-120530",
"created_at": "2022-09-04T14:38:52.559506Z",
"updated_at": "2022-09-04T14:38:52.559530Z",
"structure_string": "K4 Ag6 Sb6 S14\n1.0\n13.237749 0.061329 0.000000\n-10.137585 8.512997 0.000000\n-0.000000 -0.000000 6.810045\nK Ag Sb S\n4 6 6 14\ndirect\n0.485759 0.899512 0.686601 K\n0.899511 0.485759 0.686601 K\n0.514241 0.100489 0.186602 K\n0.100489 0.514242 0.186602 K\n0.682068 0.682068 0.366343 Ag\n0.317932 0.317932 0.866342 Ag\n0.403384 0.585998 0.629420 Ag\n0.585998 0.403384 0.629420 Ag\n0.596616 0.414002 0.129420 Ag\n0.414002 0.596616 0.129420 Ag\n0.152652 0.152652 0.330905 Sb\n0.761034 0.017485 0.188371 Sb\n0.847348 0.847348 0.830904 Sb\n0.238966 0.982515 0.688371 Sb\n0.982515 0.238966 0.688371 Sb\n0.017485 0.761035 0.188371 Sb\n0.696105 0.846947 0.613984 S\n0.846946 0.696106 0.613984 S\n0.477537 0.823536 0.195821 S\n0.823536 0.477538 0.195821 S\n0.522463 0.176464 0.695821 S\n0.176464 0.522463 0.695821 S\n0.801832 0.183643 0.928816 S\n0.198169 0.816358 0.428817 S\n0.816358 0.198169 0.428817 S\n0.385031 0.385031 0.518231 S\n0.614969 0.614969 0.018231 S\n0.153054 0.303895 0.113984 S\n0.183642 0.801832 0.928816 S\n0.303895 0.153054 0.113984 S\n",
"nsites": 30,
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"elements": [
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"Ag",
"Sb",
"S"
],
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"density": 4.267284925691188,
"density_atomic": 0.038876327199782346,
"volume": 771.677834838471,
"volume_molar": 15.49050847589768,
"formula_full": "K4 Ag6 Sb6 S14",
"formula_reduced": "K2Ag3Sb3S7",
"formula_anonymous": "A2B3C3D7",
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"spacegroup": 36
},
{
"id": "jvasp-56266",
"created_at": "2022-09-04T14:37:35.990047Z",
"updated_at": "2022-09-04T14:37:35.990056Z",
"structure_string": "Ba4 P14 Cl2\n1.0\n0.000000 6.388988 0.003754\n6.843810 0.000000 0.000000\n0.000000 -1.084783 -11.765948\nBa P Cl\n4 14 2\ndirect\n0.230796 0.250000 0.046427 Ba\n0.432614 0.250000 0.652508 Ba\n0.769205 0.750000 0.953573 Ba\n0.567387 0.750000 0.347493 Ba\n0.988936 0.750000 0.549350 P\n0.116688 0.502500 0.806779 P\n0.327426 0.750000 0.592361 P\n0.852881 0.574416 0.686778 P\n0.883313 0.497500 0.193222 P\n0.675837 0.250000 0.220997 P\n0.883313 0.002500 0.193222 P\n0.147120 0.074416 0.313222 P\n0.147120 0.425584 0.313222 P\n0.672575 0.250000 0.407639 P\n0.324164 0.750000 0.779004 P\n0.116688 0.997500 0.806779 P\n0.011064 0.250000 0.450650 P\n0.852881 0.925584 0.686778 P\n0.363509 0.750000 0.088768 Cl\n0.636491 0.250000 0.911233 Cl\n",
"nsites": 20,
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"elements": [
"Ba",
"P",
"Cl"
],
"chemical_system": "Ba-Cl-P",
"density": 3.401677288989236,
"density_atomic": 0.0388773435140143,
"volume": 514.4384413196983,
"volume_molar": 15.490103529911119,
"formula_full": "Ba4 P14 Cl2",
"formula_reduced": "Ba2P7Cl",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.35994645075,
"spacegroup": 11
},
{
"id": "jvasp-102921",
"created_at": "2022-09-04T14:36:38.356717Z",
"updated_at": "2022-09-04T14:36:38.356732Z",
"structure_string": "Ca1 Yb1 Hg2\n1.0\n4.554772 -0.000000 2.629698\n1.518258 4.294280 2.629698\n0.000000 0.000000 5.259398\nYb Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750001 Hg\n",
"nsites": 4,
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"elements": [
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"Ca",
"Hg"
],
"chemical_system": "Ca-Hg-Yb",
"density": 9.915969023649778,
"density_atomic": 0.038883643608056725,
"volume": 102.87101796116649,
"volume_molar": 15.48759375716582,
"formula_full": "Ca1 Yb1 Hg2",
"formula_reduced": "CaYbHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104951",
"created_at": "2022-09-04T14:36:41.769522Z",
"updated_at": "2022-09-04T14:36:41.769532Z",
"structure_string": "La2 Sb1 Au3\n1.0\n3.889730 -0.000000 0.000000\n0.000000 4.684985 0.000000\n-0.000000 -0.000000 8.467401\nLa Sb Au\n2 1 3\ndirect\n0.000000 0.000000 0.988591 La\n-0.000000 0.500001 0.513859 La\n0.500000 0.000000 0.334714 Sb\n0.500000 0.500001 0.835652 Au\n0.500000 0.500001 0.159845 Au\n0.500000 0.000000 0.667339 Au\n",
"nsites": 6,
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"elements": [
"La",
"Sb",
"Au"
],
"chemical_system": "Au-La-Sb",
"density": 10.65891301966097,
"density_atomic": 0.038884226263301375,
"volume": 154.3042147571997,
"volume_molar": 15.48736168548543,
"formula_full": "La2 Sb1 Au3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 25
},
{
"id": "jvasp-116703",
"created_at": "2022-09-04T14:38:44.305239Z",
"updated_at": "2022-09-04T14:38:44.305266Z",
"structure_string": "Dy4 Cd1 Se7\n1.0\n6.681569 -0.008217 1.751801\n5.498297 3.796336 1.751801\n0.056240 0.017492 12.159036\nDy Cd Se\n4 1 7\ndirect\n0.701307 0.701307 0.189638 Dy\n0.315900 0.315900 0.789416 Dy\n0.007113 0.007113 0.003465 Dy\n0.110867 0.110866 0.571047 Dy\n0.880973 0.880973 0.420645 Cd\n0.735691 0.735690 0.645340 Se\n0.254182 0.254181 0.348362 Se\n0.345407 0.345407 0.045369 Se\n0.667184 0.667184 0.944854 Se\n0.039445 0.039445 0.221198 Se\n0.967209 0.967209 0.788745 Se\n0.474724 0.474724 0.531923 Se\n",
"nsites": 12,
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"elements": [
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"Cd",
"Se"
],
"chemical_system": "Cd-Dy-Se",
"density": 7.07752211699647,
"density_atomic": 0.03889057540454462,
"volume": 308.5580471662994,
"volume_molar": 15.484833272218118,
"formula_full": "Dy4 Cd1 Se7",
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"formula_anonymous": "AB4C7",
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"spacegroup": 8
},
{
"id": "jvasp-90396",
"created_at": "2022-09-04T14:35:42.594203Z",
"updated_at": "2022-09-04T14:35:42.594231Z",
"structure_string": "Ce4 Mg4\n1.0\n12.742455 0.000000 -0.855429\n0.000000 3.471139 0.000000\n-3.173191 0.000000 4.863429\nCe Mg\n4 4\ndirect\n0.642960 0.500000 0.847010 Ce\n0.857040 0.000000 0.152990 Ce\n0.142960 0.000000 0.847010 Ce\n0.357040 0.500000 0.152990 Ce\n0.871977 0.500000 0.671273 Mg\n0.628022 0.000000 0.328726 Mg\n0.371977 0.000000 0.671274 Mg\n0.128023 0.500000 0.328727 Mg\n",
"nsites": 8,
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"elements": [
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"Mg"
],
"chemical_system": "Ce-Mg",
"density": 5.30946077330571,
"density_atomic": 0.03889323157941513,
"volume": 205.6913163326374,
"volume_molar": 15.483775750810368,
"formula_full": "Ce4 Mg4",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.7597852142857144,
"spacegroup": 12
},
{
"id": "jvasp-117820",
"created_at": "2022-09-04T14:38:51.806727Z",
"updated_at": "2022-09-04T14:38:51.806742Z",
"structure_string": "Y1 Br4 O1\n1.0\n-4.286793 4.286793 2.098507\n4.286793 -4.286793 2.098507\n4.286793 4.286793 -2.098507\nY Br O\n1 4 1\ndirect\n0.982116 0.982116 -0.000000 Y\n0.113202 0.663402 0.812174 Br\n0.851227 0.301027 0.187825 Br\n0.663402 0.851227 0.550200 Br\n0.301028 0.113202 0.449799 Br\n0.482123 0.482123 -0.000000 O\n",
"nsites": 6,
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"elements": [
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"Br",
"O"
],
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"volume": 154.2536464680208,
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"formula_full": "Y1 Br4 O1",
"formula_reduced": "YBr4O",
"formula_anonymous": "ABC4",
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"spacegroup": 87
},
{
"id": "jvasp-107450",
"created_at": "2022-09-04T14:36:51.888155Z",
"updated_at": "2022-09-04T14:36:51.888175Z",
"structure_string": "Ho1 Er1 In2\n1.0\n4.554188 -0.000000 2.629362\n1.518063 4.293730 2.629362\n-0.000000 -0.000000 5.258724\nHo Er In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.499999 Er\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.749999 In\n",
"nsites": 4,
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"elements": [
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"Er",
"In"
],
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"density": 9.072444944101616,
"density_atomic": 0.03889859610429174,
"volume": 102.83147467007618,
"volume_molar": 15.481640375539332,
"formula_full": "Ho1 Er1 In2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-53411",
"created_at": "2022-09-04T14:38:33.600860Z",
"updated_at": "2022-09-04T14:38:33.600887Z",
"structure_string": "Sm4 Pb2 Se8\n1.0\n7.319603 -0.010931 -2.581177\n-3.669267 6.333497 -2.581177\n0.006310 0.010931 7.761381\nSm Pb Se\n4 2 8\ndirect\n0.117000 0.750000 0.867000 Sm\n0.250000 0.617000 0.367000 Sm\n0.383000 0.250000 0.632999 Sm\n0.750000 0.883000 0.132999 Sm\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.749999 Pb\n0.009776 0.858304 0.497508 Se\n0.141697 0.139205 0.151473 Se\n0.487732 0.990224 0.348527 Se\n0.358303 0.509776 0.997508 Se\n0.639205 0.641697 0.651472 Se\n0.490223 0.987733 0.848527 Se\n0.860795 0.512268 0.002491 Se\n0.012268 0.360795 0.502491 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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],
"chemical_system": "Pb-Se-Sm",
"density": 7.601275884903021,
"density_atomic": 0.03889866872051219,
"volume": 359.9094894632594,
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"formula_full": "Sm4 Pb2 Se8",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-69014",
"created_at": "2022-09-04T14:36:03.141309Z",
"updated_at": "2022-09-04T14:36:03.141334Z",
"structure_string": "Ba1 Sc1 Se4\n1.0\n-0.000000 4.256568 4.256568\n4.256568 -0.000000 4.256568\n4.256568 4.256568 0.000000\nBa Sc Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Sc\n0.121697 0.626102 0.626102 Se\n0.626102 0.626102 0.626102 Se\n0.626102 0.121697 0.626102 Se\n0.626102 0.626102 0.121697 Se\n",
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"volume": 154.24415760158092,
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"formula_full": "Ba1 Sc1 Se4",
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},
{
"id": "jvasp-18124",
"created_at": "2022-09-04T14:37:29.619721Z",
"updated_at": "2022-09-04T14:37:29.619748Z",
"structure_string": "K2 Mn2 As2\n1.0\n3.757713 -0.000000 -0.000000\n0.000000 3.757713 0.000000\n0.000000 0.000000 10.922531\nK Mn As\n2 2 2\ndirect\n0.000000 0.500000 0.695108 K\n0.500000 0.000000 0.304892 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.134996 As\n0.500000 0.000000 0.865004 As\n",
"nsites": 6,
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"elements": [
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"formula_full": "K2 Mn2 As2",
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}
]
}