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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=424",
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"results": [
{
"id": "jvasp-78510",
"created_at": "2022-09-04T14:37:12.326326Z",
"updated_at": "2022-09-04T14:37:12.326345Z",
"structure_string": "Ba1 Sb2\n1.0\n-0.133171 0.000000 4.679036\n-2.558899 4.591623 -0.072818\n-2.558899 -4.591623 -0.072818\nBa Sb\n1 2\ndirect\n-0.000000 0.000000 0.500000 Ba\n0.500000 0.339637 0.160363 Sb\n0.500000 0.660363 0.839637 Sb\n",
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{
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"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",
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"formula_anonymous": "AB2C12",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-41803",
"created_at": "2022-09-04T14:37:28.148335Z",
"updated_at": "2022-09-04T14:37:28.148359Z",
"structure_string": "Ba1 Sb2 F12\n1.0\n4.895663 -0.952938 -0.378070\n-3.343123 5.694543 0.551735\n-2.589657 -0.453898 8.993152\nBa Sb F\n1 2 12\ndirect\n0.276475 0.087315 0.865202 Ba\n0.088398 0.489968 0.584460 Sb\n0.464670 0.684702 0.145939 Sb\n0.045031 0.546155 0.957627 F\n0.507973 0.628378 0.772800 F\n0.792890 0.215355 0.717199 F\n0.022271 0.711298 0.648975 F\n0.184673 0.258175 0.569306 F\n0.436554 0.774513 0.484548 F\n0.662640 0.327348 0.414663 F\n0.890484 0.847426 0.315709 F\n0.116619 0.400162 0.245881 F\n0.368303 0.916450 0.161069 F\n0.760060 0.959302 0.013166 F\n0.530947 0.463438 0.081462 F\n",
"nsites": 15,
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"elements": [
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"Sb",
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],
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"density": 4.626828581653299,
"density_atomic": 0.0686485026882839,
"volume": 218.50440159068492,
"volume_molar": 8.77242842039115,
"formula_full": "Ba1 Sb2 F12",
"formula_reduced": "BaSb2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 2.666666666678585e-06,
"spacegroup": 2
},
{
"id": "jvasp-15703",
"created_at": "2022-09-04T14:36:12.993367Z",
"updated_at": "2022-09-04T14:36:12.993401Z",
"structure_string": "Ba2 Sb6\n1.0\n6.243836 -0.009850 1.969935\n1.681136 6.533786 1.626544\n-0.005526 0.007836 6.939895\nBa Sb\n2 6\ndirect\n0.178491 0.664729 0.664727 Ba\n0.821509 0.335273 0.335272 Ba\n0.295938 0.143896 0.579860 Sb\n0.704062 0.420141 0.856104 Sb\n0.270349 0.014812 0.014812 Sb\n0.729652 0.985189 0.985187 Sb\n0.295938 0.579860 0.143895 Sb\n0.704063 0.856106 0.420140 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.892982157210607,
"density_atomic": 0.028243433186688403,
"volume": 283.25168357260947,
"volume_molar": 21.322268862265425,
"formula_full": "Ba2 Sb6",
"formula_reduced": "BaSb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9958685675,
"spacegroup": 12
},
{
"id": "jvasp-22462",
"created_at": "2022-09-04T14:38:14.753811Z",
"updated_at": "2022-09-04T14:38:14.753843Z",
"structure_string": "Ba1 Sb12 Ru4\n1.0\n7.721348 -0.000000 -2.729908\n-3.860674 6.686884 -2.729908\n0.000000 0.000000 8.189726\nBa Sb Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.656959 0.840351 0.497310 Sb\n0.159649 0.502690 0.343042 Sb\n0.502690 0.343042 0.159648 Sb\n0.816607 0.656958 0.159648 Sb\n0.840352 0.183393 0.343042 Sb\n0.497310 0.656958 0.840352 Sb\n0.343042 0.840351 0.183393 Sb\n0.159649 0.816606 0.656958 Sb\n0.840352 0.497310 0.656958 Sb\n0.343042 0.159648 0.502690 Sb\n0.656958 0.159648 0.816607 Sb\n0.183394 0.343042 0.840352 Sb\n-0.000000 -0.000000 0.500000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.500000 0.000000 -0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 17,
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"elements": [
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"Sb",
"Ru"
],
"chemical_system": "Ba-Ru-Sb",
"density": 7.8647434870739055,
"density_atomic": 0.04020338616925505,
"volume": 422.84995419118457,
"volume_molar": 14.979187908816854,
"formula_full": "Ba1 Sb12 Ru4",
"formula_reduced": "Ba(Sb3Ru)4",
"formula_anonymous": "AB4C12",
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"spacegroup": 204
},
{
"id": "jvasp-86171",
"created_at": "2022-09-04T14:36:17.531157Z",
"updated_at": "2022-09-04T14:36:17.531189Z",
"structure_string": "Ba2 Sb2 Au2\n1.0\n4.832311 0.000000 0.000000\n-2.416156 4.184904 0.000000\n-0.000000 0.000000 9.340291\nBa Sb Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.666666 0.333333 0.250000 Sb\n0.333332 0.666666 0.750000 Sb\n0.333332 0.666666 0.250000 Au\n0.666666 0.333333 0.750000 Au\n",
"nsites": 6,
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"elements": [
"Ba",
"Sb",
"Au"
],
"chemical_system": "Au-Ba-Sb",
"density": 8.018519098696332,
"density_atomic": 0.031765117520077026,
"volume": 188.88644111603625,
"volume_molar": 18.95834560093703,
"formula_full": "Ba2 Sb2 Au2",
"formula_reduced": "BaSbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2062965466666666,
"spacegroup": 194
},
{
"id": "jvasp-86773",
"created_at": "2022-09-04T14:35:55.936254Z",
"updated_at": "2022-09-04T14:35:55.936277Z",
"structure_string": "Ba2 Sb2 Au2\n1.0\n4.832311 0.000000 -0.000000\n-2.416156 4.184904 0.000000\n-0.000000 0.000000 9.340291\nBa Sb Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.666666 0.333333 0.250000 Sb\n0.333332 0.666666 0.750000 Sb\n0.333332 0.666666 0.250000 Au\n0.666666 0.333333 0.750000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Au"
],
"chemical_system": "Au-Ba-Sb",
"density": 8.018519098696332,
"density_atomic": 0.031765117520077026,
"volume": 188.88644111603625,
"volume_molar": 18.95834560093703,
"formula_full": "Ba2 Sb2 Au2",
"formula_reduced": "BaSbAu",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-16341",
"created_at": "2022-09-04T14:38:30.201514Z",
"updated_at": "2022-09-04T14:38:30.201542Z",
"structure_string": "Ba2 Sb2 Au2\n1.0\n2.827528 -4.897423 -0.000000\n2.827528 4.897423 0.000000\n0.000000 0.000000 6.874321\nBa Sb Au\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 6,
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"elements": [
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],
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"formula_full": "Ba2 Sb2 Au2",
"formula_reduced": "BaSbAu",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-86302",
"created_at": "2022-09-04T14:36:13.227576Z",
"updated_at": "2022-09-04T14:36:13.227593Z",
"structure_string": "Ba2 Sb4 Au4\n1.0\n4.902297 0.000000 0.000000\n0.000000 5.017059 -0.093455\n0.000000 0.012581 11.107790\nBa Sb Au\n2 4 4\ndirect\n0.250000 0.261390 0.756538 Ba\n0.750000 0.738610 0.243462 Ba\n0.750000 0.246820 0.501172 Sb\n0.250000 0.753180 0.498827 Sb\n0.250000 0.198110 0.123062 Sb\n0.750000 0.801890 0.876938 Sb\n0.750000 0.304155 0.000554 Au\n0.750000 0.746567 0.631508 Au\n0.250000 0.253434 0.368492 Au\n0.250000 0.695845 0.999445 Au\n",
"nsites": 10,
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"elements": [
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"density": 9.418287023061145,
"density_atomic": 0.03660280343335041,
"volume": 273.2031173024459,
"volume_molar": 16.45267628466121,
"formula_full": "Ba2 Sb4 Au4",
"formula_reduced": "Ba(SbAu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6920606620000003,
"spacegroup": 11
},
{
"id": "jvasp-86905",
"created_at": "2022-09-04T14:35:51.531799Z",
"updated_at": "2022-09-04T14:35:51.531815Z",
"structure_string": "Ba2 Sb4 Au4\n1.0\n4.902297 0.000000 0.000000\n0.000000 5.017059 -0.093455\n0.000000 0.012581 11.107790\nBa Sb Au\n2 4 4\ndirect\n0.250000 0.261390 0.756538 Ba\n0.750000 0.738610 0.243462 Ba\n0.750000 0.246820 0.501172 Sb\n0.250000 0.753180 0.498827 Sb\n0.250000 0.198110 0.123062 Sb\n0.750000 0.801890 0.876938 Sb\n0.750000 0.304155 0.000554 Au\n0.750000 0.746567 0.631508 Au\n0.250000 0.253434 0.368492 Au\n0.250000 0.695845 0.999445 Au\n",
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"elements": [
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"density": 9.418287023061145,
"density_atomic": 0.03660280343335041,
"volume": 273.2031173024459,
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"formula_full": "Ba2 Sb4 Au4",
"formula_reduced": "Ba(SbAu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6920606620000003,
"spacegroup": 11
},
{
"id": "jvasp-66635",
"created_at": "2022-09-04T14:36:19.806698Z",
"updated_at": "2022-09-04T14:36:19.806723Z",
"structure_string": "Ba1 Sb1 Br1\n1.0\n-0.000000 4.034188 4.034188\n4.034188 -0.000000 4.034188\n4.034188 4.034188 0.000000\nBa Sb Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"Br"
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"density": 4.286855752627109,
"density_atomic": 0.022846667406265356,
"volume": 131.31017958344748,
"volume_molar": 26.35894615574663,
"formula_full": "Ba1 Sb1 Br1",
"formula_reduced": "BaSbBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2028600341666666,
"spacegroup": 216
},
{
"id": "jvasp-65626",
"created_at": "2022-09-04T14:36:09.357478Z",
"updated_at": "2022-09-04T14:36:09.357492Z",
"structure_string": "Ba1 Sb1 Br2\n1.0\n4.075670 0.000000 0.000000\n0.000000 5.357539 0.000000\n0.000000 0.000000 6.398463\nBa Sb Br\n1 1 2\ndirect\n0.500000 0.500000 0.750534 Ba\n0.000000 0.000000 0.540444 Sb\n0.000000 0.000000 0.962259 Br\n0.500000 0.500000 0.246762 Br\n",
"nsites": 4,
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"formula_full": "Ba1 Sb1 Br2",
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"formula_anonymous": "ABC2",
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"spacegroup": 25
}
]
}