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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=87",
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{
"id": "jvasp-20159",
"created_at": "2022-09-04T14:37:53.955801Z",
"updated_at": "2022-09-04T14:37:53.955811Z",
"structure_string": "Al4 Au16\n1.0\n7.037880 0.000000 -0.000000\n-0.000000 7.037880 0.000000\n0.000000 -0.000000 7.037880\nAl Au\n4 16\ndirect\n0.064305 0.064305 0.064305 Al\n0.435695 0.935695 0.564305 Al\n0.564305 0.435695 0.935695 Al\n0.935695 0.564305 0.435695 Al\n0.283469 0.551638 0.611253 Au\n0.448362 0.111253 0.216531 Au\n0.611253 0.283469 0.551638 Au\n0.111253 0.216531 0.448362 Au\n0.051638 0.888747 0.716532 Au\n0.888747 0.716532 0.051638 Au\n0.551638 0.611253 0.283469 Au\n0.388747 0.783469 0.948362 Au\n0.216531 0.448362 0.111253 Au\n0.783469 0.948362 0.388747 Au\n0.317401 0.182599 0.817401 Au\n0.182599 0.817401 0.317401 Au\n0.817401 0.317401 0.182599 Au\n0.682599 0.682599 0.682599 Au\n0.948362 0.388747 0.783469 Au\n0.716532 0.051638 0.888747 Au\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 15.526015705949265,
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"volume": 348.5985471361999,
"volume_molar": 10.496547597928453,
"formula_full": "Al4 Au16",
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"formula_anonymous": "AB4",
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"spacegroup": 198
},
{
"id": "jvasp-61218",
"created_at": "2022-09-04T14:35:46.621462Z",
"updated_at": "2022-09-04T14:35:46.621489Z",
"structure_string": "Al4 Au8\n1.0\n3.318321 0.000000 0.000000\n0.000000 6.881569 0.000000\n0.000000 0.000000 8.953665\nAl Au\n4 8\ndirect\n0.250000 0.140508 0.224316 Al\n0.750000 0.359492 0.724316 Al\n0.750000 0.859492 0.775683 Al\n0.250000 0.640508 0.275684 Al\n0.250000 0.650168 0.570910 Au\n0.750000 0.849832 0.070910 Au\n0.750000 0.349832 0.429089 Au\n0.250000 0.150168 0.929089 Au\n0.250000 0.078354 0.619701 Au\n0.750000 0.421646 0.119701 Au\n0.750000 0.921646 0.380298 Au\n0.250000 0.578354 0.880298 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Al",
"Au"
],
"chemical_system": "Al-Au",
"density": 13.674027606067781,
"density_atomic": 0.058691409641611444,
"volume": 204.45922279386107,
"volume_molar": 10.260685161206931,
"formula_full": "Al4 Au8",
"formula_reduced": "AlAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6410993133333334,
"spacegroup": 62
},
{
"id": "jvasp-114251",
"created_at": "2022-09-04T14:38:40.175038Z",
"updated_at": "2022-09-04T14:38:40.175076Z",
"structure_string": "Al1 B3\n1.0\n5.255265 0.215781 -0.045885\n-2.619109 -3.172140 -0.272102\n0.822767 -0.436942 -2.802066\nAl B\n1 3\ndirect\n0.078284 0.797327 0.404836 Al\n0.868619 0.943195 0.009733 B\n0.613246 0.060088 0.137480 B\n0.787105 0.052802 0.550544 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"B"
],
"chemical_system": "Al-B",
"density": 2.227963012592865,
"density_atomic": 0.09032877939100616,
"volume": 44.2826752112436,
"volume_molar": 6.666912583786792,
"formula_full": "Al1 B3",
"formula_reduced": "AlB3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8495801375,
"spacegroup": 8
},
{
"id": "jvasp-114250",
"created_at": "2022-09-04T14:38:40.019267Z",
"updated_at": "2022-09-04T14:38:40.019289Z",
"structure_string": "Al2 B2\n1.0\n5.035570 0.186594 0.214865\n2.628930 -3.191665 -0.421217\n1.679491 2.236182 -2.468293\nAl B\n2 2\ndirect\n0.090701 -0.051768 0.066824 Al\n0.739610 0.716781 -0.006093 Al\n0.689327 0.246728 0.834973 B\n0.428730 0.184132 0.741300 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"B"
],
"chemical_system": "Al-B",
"density": 2.619918013766718,
"density_atomic": 0.08349539696714191,
"volume": 47.906832535620225,
"volume_molar": 7.212542222381318,
"formula_full": "Al2 B2",
"formula_reduced": "AlB",
"formula_anonymous": "AB",
"energy_above_hull": 2.136817691666667,
"spacegroup": 1
},
{
"id": "jvasp-19907",
"created_at": "2022-09-04T14:36:01.443092Z",
"updated_at": "2022-09-04T14:36:01.443114Z",
"structure_string": "Al1 B2\n1.0\n1.504454 -2.605791 -0.000000\n1.504454 2.605791 -0.000000\n-0.000000 0.000000 3.297557\nAl B\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666666 0.333332 0.500000 B\n0.333332 0.666666 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"B"
],
"chemical_system": "Al-B",
"density": 3.1215923432504433,
"density_atomic": 0.11603271511318822,
"volume": 25.854777224453844,
"volume_molar": 5.190036925470105,
"formula_full": "Al1 B2",
"formula_reduced": "AlB2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.134522655555556,
"spacegroup": 191
},
{
"id": "jvasp-114249",
"created_at": "2022-09-04T14:38:39.995563Z",
"updated_at": "2022-09-04T14:38:39.995587Z",
"structure_string": "Al1 B2\n1.0\n3.583909 -0.000000 0.000000\n-1.791954 3.103756 -0.000000\n-0.000000 -0.000000 3.615880\nAl B\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333336 0.666668 0.000000 B\n0.666668 0.333334 0.000000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"B"
],
"chemical_system": "Al-B",
"density": 2.006589021372187,
"density_atomic": 0.0745869244488502,
"volume": 40.2215270594422,
"volume_molar": 8.073989917803662,
"formula_full": "Al1 B2",
"formula_reduced": "AlB2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.578442655555556,
"spacegroup": 191
},
{
"id": "jvasp-114247",
"created_at": "2022-09-04T14:38:41.005163Z",
"updated_at": "2022-09-04T14:38:41.005186Z",
"structure_string": "Al1 B1\n1.0\n3.696879 0.000000 -0.000000\n-1.848440 3.201592 0.000000\n0.000000 0.000000 2.639454\nAl B\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666666 0.000000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"B"
],
"chemical_system": "Al-B",
"density": 2.0088145386509386,
"density_atomic": 0.06401985346743022,
"volume": 31.240308930377196,
"volume_molar": 9.406676888230825,
"formula_full": "Al1 B1",
"formula_reduced": "AlB",
"formula_anonymous": "AB",
"energy_above_hull": 2.4978676916666664,
"spacegroup": 187
},
{
"id": "jvasp-35769",
"created_at": "2022-09-04T14:37:35.150145Z",
"updated_at": "2022-09-04T14:37:35.150173Z",
"structure_string": "Al1 Bi1\n1.0\n3.223735 3.223735 -0.000000\n3.223735 0.000000 -3.223735\n-0.000000 3.223735 -3.223735\nAl Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.750001 0.750001 0.750001 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Bi"
],
"chemical_system": "Al-Bi",
"density": 5.847672665910244,
"density_atomic": 0.029848464658007917,
"volume": 67.00512146655518,
"volume_molar": 20.175713655624648,
"formula_full": "Al1 Bi1",
"formula_reduced": "AlBi",
"formula_anonymous": "AB",
"energy_above_hull": 0.8638185500000002,
"spacegroup": 216
},
{
"id": "jvasp-106484",
"created_at": "2022-09-04T14:36:51.903474Z",
"updated_at": "2022-09-04T14:36:51.903500Z",
"structure_string": "Al1 Bi3\n1.0\n4.909629 -0.000000 0.000000\n0.000000 4.909629 0.000000\n0.000000 0.000000 4.909629\nAl Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 -0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Bi"
],
"chemical_system": "Al-Bi",
"density": 9.175495149557145,
"density_atomic": 0.03379978709455797,
"volume": 118.34394071210086,
"volume_molar": 17.81709672653415,
"formula_full": "Al1 Bi3",
"formula_reduced": "AlBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.149781425,
"spacegroup": 221
},
{
"id": "jvasp-31825",
"created_at": "2022-09-04T14:37:59.133094Z",
"updated_at": "2022-09-04T14:37:59.133125Z",
"structure_string": "Al6 Br24\n1.0\n12.409016 0.000000 -0.000000\n6.204508 10.746522 -0.000000\n6.204508 3.582174 10.131918\nAl Br\n6 24\ndirect\n0.250000 0.250000 0.750000 Al\n0.750001 0.250000 0.750000 Al\n0.750001 0.750000 0.250000 Al\n0.250001 0.749999 0.750000 Al\n0.250000 0.750000 0.250000 Al\n0.750000 0.250000 0.250000 Al\n0.286756 0.067019 0.713245 Br\n0.786756 0.213244 0.567020 Br\n0.786756 0.567019 0.432981 Br\n0.713245 0.286755 0.067020 Br\n0.213245 0.432980 0.567020 Br\n0.432981 0.786755 0.567020 Br\n0.067020 0.713244 0.286755 Br\n0.432981 0.567019 0.213245 Br\n0.567020 0.786755 0.213245 Br\n0.213245 0.567019 0.786756 Br\n0.432981 0.213244 0.786756 Br\n0.713245 0.067019 0.932981 Br\n0.713245 0.932980 0.286755 Br\n0.567020 0.432980 0.786756 Br\n0.786756 0.432980 0.213245 Br\n0.286756 0.713244 0.932981 Br\n0.067020 0.932980 0.713245 Br\n0.286756 0.932980 0.067020 Br\n0.067020 0.286755 0.932981 Br\n0.932981 0.286755 0.713245 Br\n0.932981 0.713244 0.067020 Br\n0.932981 0.067019 0.286755 Br\n0.213245 0.786755 0.432981 Br\n0.567020 0.213244 0.432981 Br\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Al",
"Br"
],
"chemical_system": "Al-Br",
"density": 2.5558118483215737,
"density_atomic": 0.02220364687839022,
"volume": 1351.1293961893084,
"volume_molar": 27.122304696086076,
"formula_full": "Al6 Br24",
"formula_reduced": "AlBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.144219844,
"spacegroup": 226
},
{
"id": "jvasp-4264",
"created_at": "2022-09-04T14:37:28.911678Z",
"updated_at": "2022-09-04T14:37:28.911734Z",
"structure_string": "Al4 Br12\n1.0\n0.000000 7.484806 -0.111218\n6.893358 0.000000 0.000000\n0.000000 -1.325558 -9.978995\nAl Br\n4 12\ndirect\n0.702299 0.096103 0.049604 Al\n0.297702 0.596103 0.450396 Al\n0.297702 0.903897 0.950396 Al\n0.702298 0.403897 0.549604 Al\n0.911650 0.911344 0.169782 Br\n0.088351 0.411344 0.330219 Br\n0.088351 0.088656 0.830219 Br\n0.911650 0.588656 0.669782 Br\n0.751132 0.410599 0.005725 Br\n0.248869 0.910599 0.494276 Br\n0.248868 0.589401 0.994276 Br\n0.751132 0.089401 0.505725 Br\n0.421905 0.071330 0.153474 Br\n0.578096 0.571330 0.346526 Br\n0.578096 0.928670 0.846526 Br\n0.421905 0.428670 0.653474 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Al",
"Br"
],
"chemical_system": "Al-Br",
"density": 3.4337369623570537,
"density_atomic": 0.031014545662899726,
"volume": 515.8869703882056,
"volume_molar": 19.41714969954829,
"formula_full": "Al4 Br12",
"formula_reduced": "AlBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.07416877875,
"spacegroup": 14
},
{
"id": "jvasp-52433",
"created_at": "2022-09-04T14:38:12.807303Z",
"updated_at": "2022-09-04T14:38:12.807334Z",
"structure_string": "Al4 C3\n1.0\n4.644823 0.297689 0.274447\n-2.016657 3.659361 0.145288\n-1.720253 -0.875544 4.648423\nAl C\n4 3\ndirect\n0.124629 0.468913 0.006100 Al\n0.210020 0.080903 0.633632 Al\n0.564784 0.174070 0.227693 Al\n0.579969 0.741560 0.672156 Al\n0.040889 0.915235 0.978208 C\n0.609314 0.681544 0.280818 C\n0.919068 -0.011953 0.218280 C\n",
"nsites": 7,
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"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.828005565977035,
"density_atomic": 0.08281187741314973,
"volume": 84.52893737787024,
"volume_molar": 7.272073702610856,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.107223028571429,
"spacegroup": 1
}
]
}