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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3878",
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"results": [
{
"id": "jvasp-1738",
"created_at": "2022-09-04T14:35:45.229215Z",
"updated_at": "2022-09-04T14:35:45.229235Z",
"structure_string": "Rb2 Se1\n1.0\n4.900764 0.000000 2.829457\n1.633588 4.620485 2.829457\n0.000000 0.000000 5.658915\nRb Se\n2 1\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Se\n",
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"elements": [
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"volume_molar": 25.722559011220525,
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{
"id": "jvasp-123700",
"created_at": "2022-09-04T14:38:55.125410Z",
"updated_at": "2022-09-04T14:38:55.125438Z",
"structure_string": "Rb1 Se2\n1.0\n2.761878 -4.142534 -0.293650\n2.206603 3.821945 -0.000000\n-0.509859 0.294367 5.036924\nRb Se\n1 2\ndirect\n-0.000000 0.333296 0.166667 Rb\n0.727590 0.697148 0.619526 Se\n0.272408 -0.030443 0.713806 Se\n",
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"spacegroup": 12
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{
"id": "jvasp-10480",
"created_at": "2022-09-04T14:37:10.310912Z",
"updated_at": "2022-09-04T14:37:10.310940Z",
"structure_string": "Rb6 Se6\n1.0\n4.647315 -8.049386 0.000000\n4.647315 8.049386 -0.000000\n0.000000 -0.000000 6.183558\nRb Se\n6 6\ndirect\n0.686755 0.000000 0.500000 Rb\n0.313246 0.313246 0.500000 Rb\n0.000000 0.686755 0.500000 Rb\n0.352293 0.000000 0.000000 Rb\n0.647708 0.647708 0.000000 Rb\n0.000000 0.352293 0.000000 Rb\n0.666668 0.333333 0.698608 Se\n0.666668 0.333333 0.301392 Se\n0.333333 0.666668 0.301392 Se\n0.333333 0.666668 0.698608 Se\n0.000000 0.000000 0.197033 Se\n0.000000 0.000000 0.802967 Se\n",
"nsites": 12,
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"elements": [
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"density": 3.541133461136783,
"density_atomic": 0.02593868452935724,
"volume": 462.6294747684092,
"volume_molar": 23.216831806501904,
"formula_full": "Rb6 Se6",
"formula_reduced": "RbSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0425158416666666,
"spacegroup": 189
},
{
"id": "jvasp-54563",
"created_at": "2022-09-04T14:38:36.413234Z",
"updated_at": "2022-09-04T14:38:36.413259Z",
"structure_string": "Rb8 Se20\n1.0\n6.804190 0.000000 0.000000\n0.000000 7.170978 0.000000\n0.000000 0.000000 18.156440\nRb Se\n8 20\ndirect\n0.587414 0.241909 0.160488 Rb\n0.615187 0.414584 0.509450 Rb\n0.912586 0.758091 0.660488 Rb\n0.884813 0.585416 0.009450 Rb\n0.115187 0.085416 0.490550 Rb\n0.384813 0.914585 0.990550 Rb\n0.412586 0.741909 0.339512 Rb\n0.087414 0.258091 0.839512 Rb\n0.079964 0.756426 0.836775 Se\n0.752818 0.135675 0.348050 Se\n0.923430 0.639093 0.374690 Se\n0.420036 0.243575 0.336775 Se\n0.468333 0.128732 0.704801 Se\n0.747182 0.864326 0.848050 Se\n0.601118 0.920237 0.515395 Se\n0.920036 0.256426 0.663225 Se\n0.101118 0.579764 0.484605 Se\n0.076570 0.139093 0.125310 Se\n0.531667 0.628732 0.795199 Se\n0.579964 0.743575 0.163225 Se\n0.247182 0.635675 0.151950 Se\n0.252818 0.364326 0.651950 Se\n0.968333 0.371269 0.295199 Se\n0.031667 0.871269 0.204801 Se\n0.423430 0.860907 0.625310 Se\n0.898882 0.079764 0.015395 Se\n0.576570 0.360907 0.874690 Se\n0.398882 0.420236 0.984605 Se\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Rb",
"Se"
],
"chemical_system": "Rb-Se",
"density": 4.2416719372791745,
"density_atomic": 0.031606216456954744,
"volume": 885.9016718478109,
"volume_molar": 19.05365916923874,
"formula_full": "Rb8 Se20",
"formula_reduced": "Rb2Se5",
"formula_anonymous": "A2B5",
"energy_above_hull": 0.9639304952380952,
"spacegroup": 19
},
{
"id": "jvasp-10126",
"created_at": "2022-09-04T14:38:12.782973Z",
"updated_at": "2022-09-04T14:38:12.782989Z",
"structure_string": "Rb4 Se6\n1.0\n6.709561 -0.047393 0.000000\n-2.143636 6.358088 -0.000000\n0.000000 -0.000000 7.840402\nRb Se\n4 6\ndirect\n0.419487 0.580513 0.827649 Rb\n0.580513 0.419488 0.327650 Rb\n0.902710 0.097291 0.548025 Rb\n0.097290 0.902710 0.048026 Rb\n0.405892 0.081975 0.676027 Se\n0.594108 0.918026 0.176027 Se\n0.918025 0.594109 0.676027 Se\n0.081974 0.405892 0.176027 Se\n0.788222 0.211779 -0.004730 Se\n0.211778 0.788222 0.495270 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Rb",
"Se"
],
"chemical_system": "Rb-Se",
"density": 4.0590037108727515,
"density_atomic": 0.029969294579076104,
"volume": 333.67485422836006,
"volume_molar": 20.09436940235665,
"formula_full": "Rb4 Se6",
"formula_reduced": "Rb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.6308473466666666,
"spacegroup": 36
},
{
"id": "jvasp-78470",
"created_at": "2022-09-04T14:37:10.162108Z",
"updated_at": "2022-09-04T14:37:10.162129Z",
"structure_string": "Rb1 Se1\n1.0\n-3.471758 -3.471758 0.000000\n-3.471758 0.000000 -3.471758\n-0.000000 -3.471758 -3.471758\nRb Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Se"
],
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"density": 3.2624661410301963,
"density_atomic": 0.023897455701295582,
"volume": 83.6909177696089,
"volume_molar": 25.1999243571085,
"formula_full": "Rb1 Se1",
"formula_reduced": "RbSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2702508416666667,
"spacegroup": 225
},
{
"id": "jvasp-7827",
"created_at": "2022-09-04T14:37:08.910220Z",
"updated_at": "2022-09-04T14:37:08.910239Z",
"structure_string": "Rb6 Sb2\n1.0\n3.160628 -5.474368 -0.000000\n3.160628 5.474368 0.000000\n0.000000 -0.000000 11.165836\nRb Sb\n6 2\ndirect\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.417553 Rb\n0.666667 0.333333 0.917553 Rb\n0.666667 0.333333 0.582447 Rb\n0.333333 0.666667 0.082447 Rb\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 3.2503488508320624,
"density_atomic": 0.02070433924126904,
"volume": 386.3924323677017,
"volume_molar": 29.086370203963497,
"formula_full": "Rb6 Sb2",
"formula_reduced": "Rb3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001374999999999,
"spacegroup": 194
},
{
"id": "jvasp-10124",
"created_at": "2022-09-04T14:38:31.679891Z",
"updated_at": "2022-09-04T14:38:31.679913Z",
"structure_string": "Rb8 Sb8\n1.0\n7.252008 0.000000 0.000000\n0.000000 7.302287 0.000000\n0.000000 0.000000 12.837755\nRb Sb\n8 8\ndirect\n0.325418 0.341011 0.713703 Rb\n0.825418 0.158989 0.286297 Rb\n0.674582 0.841011 0.786297 Rb\n0.174582 0.658989 0.213703 Rb\n0.591189 0.599556 0.418366 Rb\n0.091189 0.900444 0.581634 Rb\n0.408811 0.099556 0.081634 Rb\n0.908811 0.400444 0.918365 Rb\n0.089861 0.448940 0.465810 Sb\n0.589861 0.051060 0.534190 Sb\n0.910139 0.948940 0.034190 Sb\n0.410139 0.551061 0.965810 Sb\n0.823857 0.333025 0.623309 Sb\n0.323857 0.166975 0.376691 Sb\n0.176143 0.833025 0.876691 Sb\n0.676143 0.666975 0.123309 Sb\n",
"nsites": 16,
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"elements": [
"Rb",
"Sb"
],
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"density": 4.049308314469349,
"density_atomic": 0.02353497422527274,
"volume": 679.8392828838792,
"volume_molar": 25.588049098151117,
"formula_full": "Rb8 Sb8",
"formula_reduced": "RbSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.2487787000000001,
"spacegroup": 19
},
{
"id": "jvasp-10683",
"created_at": "2022-09-04T14:37:11.623275Z",
"updated_at": "2022-09-04T14:37:11.623311Z",
"structure_string": "Rb8 Sb8\n1.0\n0.000000 7.391770 0.021817\n7.200816 0.000000 0.000000\n0.000000 -5.674561 -12.640012\nRb Sb\n8 8\ndirect\n0.740423 0.829861 0.530825 Rb\n0.259577 0.329861 0.969175 Rb\n0.259577 0.170140 0.469175 Rb\n0.740423 0.670140 0.030825 Rb\n0.283044 0.596597 0.667077 Rb\n0.716955 0.096597 0.832923 Rb\n0.716955 0.403404 0.332923 Rb\n0.283044 0.903404 0.167077 Rb\n0.175457 0.829108 0.874091 Sb\n0.824543 0.329108 0.625908 Sb\n0.824543 0.170892 0.125909 Sb\n0.175457 0.670892 0.374091 Sb\n0.174262 0.096021 0.714731 Sb\n0.825738 0.596021 0.785268 Sb\n0.825738 0.903980 0.285269 Sb\n0.174262 0.403979 0.214731 Sb\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Rb-Sb",
"density": 4.097182397218412,
"density_atomic": 0.023813223055951228,
"volume": 671.8956086879384,
"volume_molar": 25.289062072154028,
"formula_full": "Rb8 Sb8",
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"formula_anonymous": "AB",
"energy_above_hull": 0.2467987000000001,
"spacegroup": 14
},
{
"id": "jvasp-8765",
"created_at": "2022-09-04T14:36:39.070094Z",
"updated_at": "2022-09-04T14:36:39.070118Z",
"structure_string": "Rb3 Sb1\n1.0\n6.209601 0.000000 0.000000\n3.104800 5.377671 0.000000\n3.104800 1.792557 5.070117\nRb Sb\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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],
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"formula_full": "Rb3 Sb1",
"formula_reduced": "Rb3Sb",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-22636",
"created_at": "2022-09-04T14:37:11.850956Z",
"updated_at": "2022-09-04T14:37:11.850964Z",
"structure_string": "Rb2 Sb4\n1.0\n4.220502 -0.000000 -0.000000\n-2.110250 6.741338 -1.744395\n-0.000000 0.016095 8.589706\nRb Sb\n2 4\ndirect\n0.835544 0.671089 0.301438 Rb\n0.164456 0.328912 0.698562 Rb\n0.565998 0.131997 0.318119 Sb\n0.902289 0.804578 0.891572 Sb\n0.097711 0.195423 0.108428 Sb\n0.434002 0.868004 0.681881 Sb\n",
"nsites": 6,
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"elements": [
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"density": 4.468480378393291,
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"volume": 244.5113542296527,
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"formula_full": "Rb2 Sb4",
"formula_reduced": "RbSb2",
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"spacegroup": 12
},
{
"id": "jvasp-36038",
"created_at": "2022-09-04T14:37:11.228481Z",
"updated_at": "2022-09-04T14:37:11.228504Z",
"structure_string": "Rb1 Sb1\n1.0\n3.725703 3.725703 0.000000\n3.725703 -0.000000 -3.725703\n-0.000000 3.725703 -3.725703\nRb Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
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"elements": [
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"formula_full": "Rb1 Sb1",
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}
]
}