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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4558",
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"results": [
{
"id": "jvasp-114064",
"created_at": "2022-09-04T14:38:48.132362Z",
"updated_at": "2022-09-04T14:38:48.132384Z",
"structure_string": "Al2 Cl1\n1.0\n5.007071 0.000000 -0.000000\n-2.503536 4.336251 -0.000000\n-0.000000 0.000000 2.951675\nAl Cl\n2 1\ndirect\n0.333333 0.666666 0.000000 Al\n0.666666 0.333333 0.000000 Al\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Cl"
],
"chemical_system": "Al-Cl",
"density": 2.316850499108807,
"density_atomic": 0.04681171529966584,
"volume": 64.08652152127857,
"volume_molar": 12.86460178066363,
"formula_full": "Al2 Cl1",
"formula_reduced": "Al2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0176398891666667,
"spacegroup": 191
},
{
"id": "jvasp-18426",
"created_at": "2022-09-04T14:36:40.216932Z",
"updated_at": "2022-09-04T14:36:40.216958Z",
"structure_string": "Al1 Cl3\n1.0\n1.810253 -3.135449 -0.000000\n1.810253 3.135449 0.000000\n0.000000 0.000000 7.131813\nAl Cl\n1 3\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cl\n0.333332 0.666666 0.677379 Cl\n0.666666 0.333332 0.322621 Cl\n",
"nsites": 4,
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"elements": [
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"Cl"
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"density": 2.734905613429607,
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"volume": 80.95971298589909,
"volume_molar": 12.188769687257105,
"formula_full": "Al1 Cl3",
"formula_reduced": "AlCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.310873750625,
"spacegroup": 164
},
{
"id": "jvasp-110745",
"created_at": "2022-09-04T14:38:38.080446Z",
"updated_at": "2022-09-04T14:38:38.080466Z",
"structure_string": "Al1 Cd3\n1.0\n4.019231 -0.037876 -3.629079\n-0.818675 3.935152 -3.629079\n0.031105 0.037876 5.415114\nAl Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.749999 0.250000 0.499999 Cd\n0.250000 0.750000 0.499999 Cd\n0.500000 0.499999 -0.000001 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Cd"
],
"chemical_system": "Al-Cd",
"density": 6.984347376310392,
"density_atomic": 0.04619334878073772,
"volume": 86.59255294493761,
"volume_molar": 13.03681356505417,
"formula_full": "Al1 Cd3",
"formula_reduced": "AlCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-107891",
"created_at": "2022-09-04T14:36:00.861870Z",
"updated_at": "2022-09-04T14:36:00.861891Z",
"structure_string": "Al3 Cd1\n1.0\n4.223820 0.000000 0.000000\n0.000000 4.223820 0.000000\n0.000000 0.000000 4.223820\nAl Cd\n3 1\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Cd"
],
"chemical_system": "Al-Cd",
"density": 4.260785595454802,
"density_atomic": 0.0530815730522505,
"volume": 75.35571705952697,
"volume_molar": 11.345068380080116,
"formula_full": "Al3 Cd1",
"formula_reduced": "Al3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1483052000000002,
"spacegroup": 221
},
{
"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,
"nelements": 2,
"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
},
{
"id": "jvasp-79567",
"created_at": "2022-09-04T14:37:12.877887Z",
"updated_at": "2022-09-04T14:37:12.877906Z",
"structure_string": "Al1 C3\n1.0\n3.223785 0.000000 0.000000\n0.000000 3.223785 0.000000\n-0.000000 0.000000 3.223785\nAl C\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500001 0.500001 C\n0.500001 0.000000 0.500001 C\n0.500001 0.500001 0.000000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 3.123096794874342,
"density_atomic": 0.11938830342253992,
"volume": 33.504119627558254,
"volume_molar": 5.044163110925865,
"formula_full": "Al1 C3",
"formula_reduced": "AlC3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.5993457,
"spacegroup": 221
},
{
"id": "jvasp-51351",
"created_at": "2022-09-04T14:36:52.894035Z",
"updated_at": "2022-09-04T14:36:52.894067Z",
"structure_string": "Al4 C3\n1.0\n-3.187027 -0.009497 0.000971\n1.182665 4.925845 -0.024266\n-0.331773 -2.251916 -5.112723\nAl C\n4 3\ndirect\n0.041355 0.166595 0.751066 Al\n0.638792 0.211628 0.206909 Al\n0.258509 0.661903 0.692217 Al\n0.941285 0.749544 0.228082 Al\n0.076334 0.984394 0.003698 C\n0.624052 0.346853 0.615262 C\n0.491247 0.947020 0.481974 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.9740042292378575,
"density_atomic": 0.08708712479946874,
"volume": 80.37927553721124,
"volume_molar": 6.915075878170153,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.077694457142857,
"spacegroup": 1
},
{
"id": "jvasp-2145",
"created_at": "2022-09-04T14:38:18.579588Z",
"updated_at": "2022-09-04T14:38:18.579613Z",
"structure_string": "Al4 C3\n1.0\n3.290083 -0.000430 7.955377\n1.579793 2.885984 7.955377\n-0.000725 -0.000430 8.608872\nAl C\n4 3\ndirect\n0.870070 0.870071 0.870076 Al\n0.129927 0.129927 0.129928 Al\n0.706473 0.706474 0.706478 Al\n0.293524 0.293525 0.293526 Al\n0.783181 0.783182 0.783186 C\n0.216816 0.216817 0.216818 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.923398821453252,
"density_atomic": 0.08560525755128552,
"volume": 81.77067858018356,
"volume_molar": 7.034779092151176,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.015538742857143,
"spacegroup": 166
},
{
"id": "jvasp-121046",
"created_at": "2022-09-04T14:38:54.260993Z",
"updated_at": "2022-09-04T14:38:54.261020Z",
"structure_string": "Al1 C3\n1.0\n3.252992 0.019673 0.398203\n0.063709 -5.606045 -0.269865\n-1.311892 1.077581 -2.805111\nAl C\n1 3\ndirect\n0.857916 0.556077 0.130404 Al\n0.736927 0.192655 0.888326 C\n0.657289 0.954119 0.729182 C\n0.571802 0.697857 0.558458 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.126311761004688,
"density_atomic": 0.08128366501812403,
"volume": 49.21037946687209,
"volume_molar": 7.408795800062938,
"formula_full": "Al1 C3",
"formula_reduced": "AlC3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.0678532,
"spacegroup": 160
},
{
"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-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-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
}
]
}