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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3488",
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"results": [
{
"id": "jvasp-13155",
"created_at": "2022-09-04T14:36:50.698988Z",
"updated_at": "2022-09-04T14:36:50.698999Z",
"structure_string": "Al2 Bi2 Br12\n1.0\n7.766130 -0.205493 0.046971\n-1.208458 7.492700 -0.132921\n-2.460693 -2.355614 9.088866\nAl Bi Br\n2 2 12\ndirect\n0.680082 0.272287 0.843162 Al\n0.319918 0.727714 0.156839 Al\n0.803189 0.481008 0.291489 Bi\n0.196812 0.518993 0.708512 Bi\n0.526331 0.289594 0.352903 Br\n0.473670 0.710407 0.647097 Br\n0.759264 0.586951 0.962526 Br\n0.240736 0.413051 0.037474 Br\n0.842512 0.182576 0.681456 Br\n0.157489 0.817425 0.318545 Br\n0.744122 0.128015 0.034337 Br\n0.255878 0.871986 0.965663 Br\n0.368047 0.177614 0.707967 Br\n0.631953 0.822387 0.292034 Br\n0.067362 0.294000 0.405122 Br\n0.932639 0.706001 0.594878 Br\n",
"nsites": 16,
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"elements": [
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"volume": 525.1184102746481,
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"formula_full": "Al2 Bi2 Br12",
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},
{
"id": "jvasp-33078",
"created_at": "2022-09-04T14:37:08.722453Z",
"updated_at": "2022-09-04T14:37:08.722473Z",
"structure_string": "Al6 Bi10 Br24\n1.0\n10.820129 0.111962 6.429685\n3.712224 10.164011 6.429685\n0.158338 0.111962 12.585347\nAl Bi Br\n6 10 24\ndirect\n0.769900 0.730100 0.250000 Al\n0.250000 0.769900 0.730100 Al\n0.230100 0.269900 0.750000 Al\n0.269900 0.750000 0.230100 Al\n0.730100 0.250000 0.769900 Al\n0.750000 0.230100 0.269900 Al\n0.250000 0.405321 0.094679 Bi\n0.094679 0.250000 0.405321 Bi\n0.405321 0.094679 0.250000 Bi\n0.750000 0.594678 0.905321 Bi\n0.327315 0.327314 0.327314 Bi\n0.594679 0.905321 0.750000 Bi\n0.827315 0.827314 0.827314 Bi\n0.672685 0.672685 0.672685 Bi\n0.172685 0.172685 0.172685 Bi\n0.905321 0.750000 0.594678 Bi\n0.309237 0.932317 0.039624 Br\n0.595648 0.771375 0.200561 Br\n0.799439 0.404352 0.228624 Br\n0.039625 0.309237 0.932318 Br\n0.690763 0.067682 0.960375 Br\n0.299439 0.728625 0.904352 Br\n0.190763 0.460375 0.567683 Br\n0.932318 0.039624 0.309237 Br\n0.904352 0.299439 0.728625 Br\n0.960375 0.690762 0.067682 Br\n0.728625 0.904352 0.299439 Br\n0.809237 0.539624 0.432317 Br\n0.567683 0.190762 0.460375 Br\n0.771375 0.200561 0.595648 Br\n0.700561 0.271375 0.095648 Br\n0.460375 0.567682 0.190762 Br\n0.539625 0.432317 0.809237 Br\n0.228625 0.799439 0.404352 Br\n0.432317 0.809237 0.539624 Br\n0.404352 0.228625 0.799439 Br\n0.067682 0.960375 0.690763 Br\n0.200561 0.595648 0.771375 Br\n0.095648 0.700561 0.271375 Br\n0.271375 0.095648 0.700561 Br\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Al",
"Bi",
"Br"
],
"chemical_system": "Al-Bi-Br",
"density": 5.077678694498043,
"density_atomic": 0.029336187287223415,
"volume": 1363.5037030671303,
"volume_molar": 20.52802806662876,
"formula_full": "Al6 Bi10 Br24",
"formula_reduced": "Al3Bi5Br12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 0.4991759579999999,
"spacegroup": 167
},
{
"id": "jvasp-26046",
"created_at": "2022-09-04T14:38:35.401543Z",
"updated_at": "2022-09-04T14:38:35.401560Z",
"structure_string": "Al6 B4 Ru8\n1.0\n8.557340 0.000000 0.000000\n-0.000000 8.557340 -0.000000\n-0.000000 0.000000 2.943564\nAl B Ru\n6 4 8\ndirect\n0.000000 0.000000 0.499999 Al\n0.500000 0.500000 0.499999 Al\n0.000000 0.346740 0.499999 Al\n0.346740 0.000000 0.499999 Al\n0.653260 0.000000 0.499999 Al\n0.000000 0.653260 0.499999 Al\n0.693437 0.693437 0.499999 B\n0.693437 0.306564 0.499999 B\n0.306564 0.306564 0.499999 B\n0.306564 0.693437 0.499999 B\n0.243489 0.500000 0.000000 Ru\n0.823611 0.823611 0.000000 Ru\n0.823611 0.176389 0.000000 Ru\n0.176389 0.823611 0.000000 Ru\n0.176389 0.176389 0.000000 Ru\n0.500000 0.756511 0.000000 Ru\n0.756511 0.500000 0.000000 Ru\n0.500000 0.243489 0.000000 Ru\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"B",
"Ru"
],
"chemical_system": "Al-B-Ru",
"density": 7.809164762721847,
"density_atomic": 0.08350672407085118,
"volume": 215.55150438817265,
"volume_molar": 7.2115638914185185,
"formula_full": "Al6 B4 Ru8",
"formula_reduced": "Al3(BRu2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 4.149023951851852,
"spacegroup": 123
},
{
"id": "jvasp-18541",
"created_at": "2022-09-04T14:37:02.623471Z",
"updated_at": "2022-09-04T14:37:02.623490Z",
"structure_string": "Al2 B2 Ru3\n1.0\n2.942844 0.000000 0.000000\n0.000000 2.989205 -0.520602\n0.000000 0.037643 9.058189\nAl B Ru\n2 2 3\ndirect\n0.499999 0.579214 0.158426 Al\n0.499999 0.420787 0.841574 Al\n0.499999 0.722913 0.445824 B\n0.499999 0.277088 0.554176 B\n0.000000 0.825597 0.651193 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.174404 0.348807 Ru\n",
"nsites": 7,
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"elements": [
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],
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"density": 7.888145173999919,
"density_atomic": 0.08778483780330101,
"volume": 79.74042186743979,
"volume_molar": 6.860114924964351,
"formula_full": "Al2 B2 Ru3",
"formula_reduced": "Al2B2Ru3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.149636038095239,
"spacegroup": 65
},
{
"id": "jvasp-51255",
"created_at": "2022-09-04T14:37:04.249822Z",
"updated_at": "2022-09-04T14:37:04.249844Z",
"structure_string": "Al1 B2 Pb1\n1.0\n0.000000 3.222117 3.222117\n3.222117 0.000000 3.222117\n3.222117 3.222117 0.000000\nAl B Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 B\n0.750001 0.750001 0.750001 B\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 4,
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"elements": [
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"B",
"Pb"
],
"chemical_system": "Al-B-Pb",
"density": 6.348947427312652,
"density_atomic": 0.05978690569737036,
"volume": 66.90428202200694,
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"formula_full": "Al1 B2 Pb1",
"formula_reduced": "AlB2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1472371966666666,
"spacegroup": 216
},
{
"id": "jvasp-63494",
"created_at": "2022-09-04T14:35:46.982480Z",
"updated_at": "2022-09-04T14:35:46.982505Z",
"structure_string": "Al10 B2 O18\n1.0\n2.864002 -7.559458 0.000000\n2.864002 7.559458 0.000000\n0.000000 0.000000 7.761044\nAl B O\n10 2 18\ndirect\n0.367484 0.135893 0.667624 Al\n0.297062 0.702937 0.833509 Al\n0.556137 0.443863 0.983273 Al\n0.443863 0.556137 0.483273 Al\n0.744716 0.255283 0.981414 Al\n0.702937 0.297062 0.333510 Al\n0.864107 0.632516 0.667624 Al\n0.135893 0.367484 0.167624 Al\n0.632516 0.864107 0.167624 Al\n0.255283 0.744716 0.481414 Al\n0.015512 0.984487 0.945671 B\n0.984487 0.015512 0.445671 B\n0.953956 0.046043 0.074244 O\n0.742281 0.837800 0.381356 O\n0.257719 0.162199 0.881356 O\n0.808987 0.191013 0.231977 O\n0.191013 0.808987 0.731977 O\n0.648126 0.351874 0.129323 O\n0.351874 0.648126 0.629322 O\n0.046043 0.953956 0.574243 O\n0.446695 0.067176 0.466897 O\n0.454527 0.545472 0.095309 O\n0.932824 0.553304 0.466897 O\n0.067176 0.446695 0.966896 O\n0.553304 0.932824 0.966896 O\n0.162199 0.257719 0.381356 O\n0.669552 0.330447 0.798323 O\n0.330447 0.669552 0.298323 O\n0.545472 0.454527 0.595309 O\n0.837800 0.742281 0.881356 O\n",
"nsites": 30,
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"elements": [
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"O"
],
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"density": 2.8630794448369103,
"density_atomic": 0.08927032956248723,
"volume": 336.0579057681273,
"volume_molar": 6.745960040154928,
"formula_full": "Al10 B2 O18",
"formula_reduced": "Al5BO9",
"formula_anonymous": "AB5C9",
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"spacegroup": 36
},
{
"id": "jvasp-61322",
"created_at": "2022-09-04T14:35:46.425339Z",
"updated_at": "2022-09-04T14:35:46.425366Z",
"structure_string": "Al10 B2 O18\n1.0\n2.863983 -7.559618 0.000000\n2.863983 7.559618 0.000000\n0.000000 0.000000 7.760900\nAl B O\n10 2 18\ndirect\n0.632504 0.864104 0.000771 Al\n0.297058 0.702941 0.666638 Al\n0.443864 0.556135 0.316445 Al\n0.556135 0.443864 0.816445 Al\n0.255276 0.744723 0.314523 Al\n0.702941 0.297058 0.166638 Al\n0.135895 0.367495 0.000771 Al\n0.864104 0.632504 0.500771 Al\n0.367495 0.135895 0.500771 Al\n0.744723 0.255276 0.814523 Al\n0.015526 0.984473 0.778854 B\n0.984473 0.015526 0.278854 B\n0.351862 0.648137 0.462442 O\n0.545468 0.454531 0.428479 O\n0.454531 0.545468 0.928479 O\n0.330427 0.669572 0.131419 O\n0.669572 0.330427 0.631419 O\n0.808988 0.191011 0.065125 O\n0.191011 0.808988 0.565125 O\n0.648137 0.351862 0.962442 O\n0.162185 0.257735 0.214539 O\n0.932818 0.553318 0.300019 O\n0.446681 0.067181 0.300019 O\n0.553318 0.932818 0.800019 O\n0.837814 0.742264 0.714539 O\n0.953964 0.046035 0.907417 O\n0.742264 0.837814 0.214539 O\n0.257735 0.162185 0.714539 O\n0.067181 0.446681 0.800019 O\n0.046035 0.953964 0.407417 O\n",
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"volume": 336.05655375681624,
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"formula_full": "Al10 B2 O18",
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"spacegroup": 36
},
{
"id": "jvasp-58388",
"created_at": "2022-09-04T14:37:30.312536Z",
"updated_at": "2022-09-04T14:37:30.312552Z",
"structure_string": "Al2 B2 O6\n1.0\n4.071235 -0.002963 3.380454\n1.585241 3.749929 3.380454\n-0.004473 -0.002963 5.291730\nAl B O\n2 2 6\ndirect\n0.499999 0.500001 0.499999 Al\n0.000000 0.000000 0.000000 Al\n0.749999 0.750001 0.749999 B\n0.250000 0.250000 0.250000 B\n0.749999 0.057744 0.442257 O\n0.442257 0.750000 0.057742 O\n0.942256 0.557744 0.249999 O\n0.250000 0.942258 0.557741 O\n0.557742 0.250001 0.942256 O\n0.057743 0.442258 0.749999 O\n",
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"volume": 80.89450950018359,
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"formula_full": "Al2 B2 O6",
"formula_reduced": "AlBO3",
"formula_anonymous": "ABC3",
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"spacegroup": 167
},
{
"id": "jvasp-114893",
"created_at": "2022-09-04T14:38:43.587463Z",
"updated_at": "2022-09-04T14:38:43.587488Z",
"structure_string": "Al1 B1 O1\n1.0\n3.793397 0.000000 0.000000\n-1.896698 3.285178 -0.000000\n0.000000 -0.000000 2.749043\nAl B O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333334 0.666668 0.000000 B\n0.666667 0.333334 0.000000 O\n",
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"spacegroup": 187
},
{
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"created_at": "2022-09-04T14:38:43.212280Z",
"updated_at": "2022-09-04T14:38:43.212297Z",
"structure_string": "Al1 B1 O4\n1.0\n2.648140 -3.158786 0.000000\n2.648140 3.158786 0.000000\n0.000000 0.000000 2.916843\nAl B O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 B\n0.733043 0.733043 0.000000 O\n0.796355 0.203645 0.500000 O\n0.203645 0.796355 0.500000 O\n0.266958 0.266958 0.000000 O\n",
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"formula_full": "Al1 B1 O4",
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"spacegroup": 65
},
{
"id": "jvasp-114895",
"created_at": "2022-09-04T14:38:43.178617Z",
"updated_at": "2022-09-04T14:38:43.178642Z",
"structure_string": "Al1 B1 O2\n1.0\n3.001490 0.000000 0.000000\n0.000000 3.001490 0.000000\n0.000000 -0.000000 3.919505\nAl B O\n1 1 2\ndirect\n0.500000 0.500000 0.567392 Al\n0.000000 0.000000 0.018907 B\n0.000000 0.000000 0.378107 O\n0.500000 0.500000 0.045592 O\n",
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"formula_full": "Al1 B1 O2",
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"spacegroup": 99
},
{
"id": "jvasp-114892",
"created_at": "2022-09-04T14:38:44.072367Z",
"updated_at": "2022-09-04T14:38:44.072389Z",
"structure_string": "Al1 B1 O1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nAl B O\n1 1 1\ndirect\n-0.008273 -0.039047 0.000000 Al\n0.276026 0.001658 0.000000 B\n0.002310 0.246220 0.000000 O\n",
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}
]
}