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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=161",
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"results": [
{
"id": "jvasp-77001",
"created_at": "2022-09-04T14:38:08.304635Z",
"updated_at": "2022-09-04T14:38:08.304661Z",
"structure_string": "Ba2 Li1 Hg1\n1.0\n-12.430218 -7.508740 -1.045727\n-8.945695 -4.376201 2.611130\n-5.910996 0.299013 0.545918\nBa Li Hg\n2 1 1\ndirect\n0.749989 0.000009 0.999991 Ba\n0.250012 0.999990 0.000011 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Li",
"Hg"
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"density": 5.392844962154132,
"density_atomic": 0.026941088146808574,
"volume": 148.4721024705098,
"volume_molar": 22.352997500263847,
"formula_full": "Ba2 Li1 Hg1",
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},
{
"id": "jvasp-41037",
"created_at": "2022-09-04T14:37:38.434722Z",
"updated_at": "2022-09-04T14:37:38.434742Z",
"structure_string": "Ac1 Cd1 Hg2\n1.0\n0.000000 3.803914 3.803914\n3.803914 0.000000 3.803914\n3.803914 3.803914 -0.000000\nAc Cd Hg\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ac\n0.749999 0.749999 0.749999 Cd\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
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],
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"density": 11.171344961080973,
"density_atomic": 0.03633606773908691,
"volume": 110.08345836214902,
"volume_molar": 16.573452040111512,
"formula_full": "Ac1 Cd1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-107625",
"created_at": "2022-09-04T14:36:45.656719Z",
"updated_at": "2022-09-04T14:36:45.656735Z",
"structure_string": "Rb2 Ag1 Bi1 Cl6\n1.0\n6.567906 -0.000000 3.791982\n2.189302 6.192281 3.791982\n-0.000000 -0.000000 7.583965\nRb Ag Bi Cl\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 Ag\n0.000000 0.000000 0.000000 Bi\n0.747838 0.252162 0.252162 Cl\n0.252162 0.252162 0.747837 Cl\n0.252162 0.747838 0.747837 Cl\n0.252162 0.747838 0.252162 Cl\n0.747838 0.252162 0.747837 Cl\n0.747838 0.747838 0.252161 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ag",
"Bi",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-Rb",
"density": 3.7712445576073956,
"density_atomic": 0.03242097679942202,
"volume": 308.44227988153256,
"volume_molar": 18.574828257819053,
"formula_full": "Rb2 Ag1 Bi1 Cl6",
"formula_reduced": "Rb2AgBiCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37932",
"created_at": "2022-09-04T14:37:57.121875Z",
"updated_at": "2022-09-04T14:37:57.121896Z",
"structure_string": "Ba2 Zn1 Cd1\n1.0\n-0.000000 4.155537 4.155537\n4.155537 0.000000 4.155537\n4.155537 4.155537 -0.000000\nBa Zn Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.500001 Ba\n0.750001 0.750001 0.750001 Zn\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Ba-Cd-Zn",
"density": 5.235175800062983,
"density_atomic": 0.027870742258976157,
"volume": 143.51967962789885,
"volume_molar": 21.607392813732783,
"formula_full": "Ba2 Zn1 Cd1",
"formula_reduced": "Ba2ZnCd",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-21453",
"created_at": "2022-09-04T14:38:31.608318Z",
"updated_at": "2022-09-04T14:38:31.608350Z",
"structure_string": "K2 Rb4 Y2 F12\n1.0\n0.000000 6.487172 -0.008132\n6.657397 0.000000 0.000000\n0.000000 -6.432889 -9.205807\nK Rb Y F\n2 4 2 12\ndirect\n0.500000 0.500000 -0.000000 K\n0.500000 0.000000 0.500000 K\n0.736171 0.454230 0.748756 Rb\n0.736171 0.045770 0.248756 Rb\n0.263829 0.954231 0.751244 Rb\n0.263829 0.545770 0.251244 Rb\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.863213 0.464658 0.272689 F\n0.136787 0.964658 0.227311 F\n0.313822 0.815224 0.042161 F\n0.686178 0.315224 0.457839 F\n0.686178 0.184776 0.957839 F\n0.232802 0.268302 0.052696 F\n0.767197 0.731698 0.947304 F\n0.232803 0.231698 0.552696 F\n0.863213 0.035343 0.772689 F\n0.767197 0.768302 0.447304 F\n0.313822 0.684777 0.542162 F\n0.136787 0.535343 0.727311 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Rb",
"Y",
"F"
],
"chemical_system": "F-K-Rb-Y",
"density": 3.446305022928277,
"density_atomic": 0.05026063849330701,
"volume": 397.92570487665637,
"volume_molar": 11.981823033947215,
"formula_full": "K2 Rb4 Y2 F12",
"formula_reduced": "KRb2YF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-80548",
"created_at": "2022-09-04T14:36:51.659511Z",
"updated_at": "2022-09-04T14:36:51.659535Z",
"structure_string": "K2 Na1 Cd1\n1.0\n-17.905839 -0.000000 -10.337941\n-10.499903 -0.537389 -2.489516\n-9.215253 3.096150 -4.714596\nK Na Cd\n2 1 1\ndirect\n0.664954 0.000000 0.000000 K\n0.335046 0.000000 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"Cd"
],
"chemical_system": "Cd-K-Na",
"density": 1.7395829415261028,
"density_atomic": 0.01961824413193508,
"volume": 203.8918454220221,
"volume_molar": 30.696634823689468,
"formula_full": "K2 Na1 Cd1",
"formula_reduced": "K2NaCd",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-35401",
"created_at": "2022-09-04T14:37:30.685268Z",
"updated_at": "2022-09-04T14:37:30.685282Z",
"structure_string": "Rb2 Pd1 Cl4\n1.0\n7.179436 -0.000000 0.000000\n-0.000000 7.179436 0.000000\n-0.000000 -0.000000 4.303518\nRb Pd Cl\n2 1 4\ndirect\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pd\n0.230124 0.230124 0.000000 Cl\n0.769876 0.769876 0.000000 Cl\n0.230124 0.769876 0.000000 Cl\n0.769876 0.230124 0.000000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Pd",
"Cl"
],
"chemical_system": "Cl-Pd-Rb",
"density": 3.1378524847514195,
"density_atomic": 0.031556858277389147,
"volume": 221.82182834770916,
"volume_molar": 19.083461056435183,
"formula_full": "Rb2 Pd1 Cl4",
"formula_reduced": "Rb2PdCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-101490",
"created_at": "2022-09-04T14:36:53.013447Z",
"updated_at": "2022-09-04T14:36:53.013455Z",
"structure_string": "K2 Sc1 In1 Br6\n1.0\n6.983797 -0.000000 4.032097\n2.327932 6.584387 4.032097\n-0.000000 -0.000000 8.064194\nK Sc In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.768312 0.231688 0.231688 Br\n0.231688 0.231688 0.768311 Br\n0.231688 0.768312 0.768312 Br\n0.231688 0.768312 0.231688 Br\n0.768312 0.231688 0.768312 Br\n0.768312 0.768312 0.231689 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"In",
"Br"
],
"chemical_system": "Br-In-K-Sc",
"density": 3.2124710645226537,
"density_atomic": 0.02696696534621387,
"volume": 370.82407573917055,
"volume_molar": 22.33154781298186,
"formula_full": "K2 Sc1 In1 Br6",
"formula_reduced": "K2ScInBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-60687",
"created_at": "2022-09-04T14:37:03.959580Z",
"updated_at": "2022-09-04T14:37:03.959607Z",
"structure_string": "Ba1 Sb2 F12\n1.0\n4.833144 -0.977672 -0.827215\n-3.228962 5.703053 0.933293\n-1.774831 -0.588327 9.179899\nBa Sb F\n1 2 12\ndirect\n0.276616 0.087368 0.865214 Ba\n0.088268 0.489691 0.584407 Sb\n0.464792 0.684978 0.145996 Sb\n0.368362 0.916936 0.161199 F\n0.507735 0.628371 0.772692 F\n0.045452 0.546453 0.957670 F\n0.116680 0.400269 0.245785 F\n0.531239 0.463510 0.081440 F\n0.184687 0.257705 0.569236 F\n0.890270 0.847514 0.315785 F\n0.021859 0.711204 0.648941 F\n0.662646 0.327015 0.414669 F\n-0.207056 0.215213 0.717170 F\n0.436186 0.774249 0.484500 F\n0.760258 0.959518 0.013290 F\n",
"nsites": 15,
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"elements": [
"Ba",
"Sb",
"F"
],
"chemical_system": "Ba-F-Sb",
"density": 4.629446957721637,
"density_atomic": 0.06868735167380262,
"volume": 218.38081734807963,
"volume_molar": 8.767466809026569,
"formula_full": "Ba1 Sb2 F12",
"formula_reduced": "BaSb2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-40598",
"created_at": "2022-09-04T14:37:46.635710Z",
"updated_at": "2022-09-04T14:37:46.635741Z",
"structure_string": "Ac2 Cd6\n1.0\n3.594258 -6.225438 -0.000000\n3.594258 6.225438 -0.000000\n0.000000 -0.000000 5.038064\nAc Cd\n2 6\ndirect\n0.333333 0.666667 0.250000 Ac\n0.666667 0.333333 0.749999 Ac\n0.701608 0.850804 0.749999 Cd\n0.149196 0.298392 0.749999 Cd\n0.149196 0.850804 0.749999 Cd\n0.298392 0.149196 0.250000 Cd\n0.850804 0.701608 0.250000 Cd\n0.850804 0.149196 0.250000 Cd\n",
"nsites": 8,
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"elements": [
"Ac",
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],
"chemical_system": "Ac-Cd",
"density": 8.311219263955493,
"density_atomic": 0.035482740153135496,
"volume": 225.46173056178316,
"volume_molar": 16.97202846795315,
"formula_full": "Ac2 Cd6",
"formula_reduced": "AcCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-104539",
"created_at": "2022-09-04T14:36:48.182655Z",
"updated_at": "2022-09-04T14:36:48.182674Z",
"structure_string": "Rb2 Tl1 Sb1 I6\n1.0\n7.644665 -0.000000 4.413649\n2.548222 7.207459 4.413649\n-0.000000 -0.000000 8.827298\nRb Tl Sb I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.758566 0.241434 0.241434 I\n0.241433 0.241434 0.758567 I\n0.241433 0.758567 0.758567 I\n0.241433 0.758567 0.241434 I\n0.758566 0.241434 0.758567 I\n0.758566 0.758567 0.241434 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "I-Rb-Sb-Tl",
"density": 4.296708230648001,
"density_atomic": 0.020560400614273555,
"volume": 486.37184593853414,
"volume_molar": 29.28999717942887,
"formula_full": "Rb2 Tl1 Sb1 I6",
"formula_reduced": "Rb2TlSbI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-29965",
"created_at": "2022-09-04T14:37:56.577998Z",
"updated_at": "2022-09-04T14:37:56.578016Z",
"structure_string": "Nd1 Pb4 F11\n1.0\n3.584192 0.002178 2.067535\n1.195238 3.380378 2.070230\n-0.221481 -0.159597 21.090811\nNd Pb F\n1 4 11\ndirect\n0.939120 0.004800 0.810285 Nd\n0.956265 0.024013 -0.000872 Pb\n0.954936 0.022673 0.199942 Pb\n0.952240 0.019366 0.401804 Pb\n0.946801 0.013374 0.605286 Pb\n0.196618 0.264380 0.054910 F\n0.712115 0.779749 0.145679 F\n0.201043 0.268276 0.452475 F\n0.201230 0.269135 0.252095 F\n0.704893 0.771953 0.350244 F\n0.176216 0.242730 0.667662 F\n0.696195 0.762543 0.555746 F\n0.266814 0.333010 0.813449 F\n0.717127 0.783344 0.743241 F\n0.484945 0.551901 0.882249 F\n0.705442 0.772754 0.949800 F\n",
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"elements": [
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],
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"density": 7.613157184541797,
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"volume": 257.81652798536464,
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"formula_full": "Nd1 Pb4 F11",
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"formula_anonymous": "AB4C11",
"energy_above_hull": 0.0,
"spacegroup": 160
}
]
}