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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=170",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=168",
"results": [
{
"id": "jvasp-38301",
"created_at": "2022-09-04T14:37:58.877009Z",
"updated_at": "2022-09-04T14:37:58.877025Z",
"structure_string": "Rb1 Ti5 Se8\n1.0\n-0.000000 3.615289 0.000000\n-2.257061 0.000000 8.923270\n9.452106 -1.807644 -0.028626\nRb Ti Se\n1 5 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ti\n0.656504 -0.001383 0.313005 Ti\n0.707921 0.348394 0.415840 Ti\n0.292081 0.651605 0.584161 Ti\n0.343499 0.001382 0.686995 Ti\n0.573667 0.174524 0.147334 Se\n0.087898 0.822858 0.175796 Se\n0.161740 0.499556 0.323478 Se\n0.242924 0.165298 0.485845 Se\n0.757079 0.834701 0.514155 Se\n0.838263 0.500444 0.676523 Se\n0.912104 0.177142 0.824205 Se\n0.426334 0.825476 0.852665 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Ti",
"Se"
],
"chemical_system": "Rb-Se-Ti",
"density": 5.212708499283424,
"density_atomic": 0.04594785193014866,
"volume": 304.69324270660644,
"volume_molar": 13.10646854428591,
"formula_full": "Rb1 Ti5 Se8",
"formula_reduced": "RbTi5Se8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 2.4987849000000004,
"spacegroup": 12
},
{
"id": "jvasp-94857",
"created_at": "2022-09-04T14:36:30.889729Z",
"updated_at": "2022-09-04T14:36:30.889757Z",
"structure_string": "Rb2 Te1 Se4\n1.0\n-0.014340 0.000000 -5.350807\n-4.922354 -4.310929 -2.464384\n-4.922354 4.310929 -2.464384\nRb Te Se\n2 1 4\ndirect\n0.336659 0.321292 0.321292 Rb\n0.663341 0.678707 0.678707 Rb\n0.000000 0.000000 0.000000 Te\n0.258465 0.325299 0.846594 Se\n0.258465 0.846594 0.325299 Se\n0.741535 0.674700 0.153406 Se\n0.741535 0.153406 0.674700 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Te",
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],
"chemical_system": "Rb-Se-Te",
"density": 4.49855628220487,
"density_atomic": 0.030866553636419547,
"volume": 226.78268790399318,
"volume_molar": 19.510246692699948,
"formula_full": "Rb2 Te1 Se4",
"formula_reduced": "Rb2TeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6522944619047619,
"spacegroup": 12
},
{
"id": "jvasp-1717",
"created_at": "2022-09-04T14:35:57.812593Z",
"updated_at": "2022-09-04T14:35:57.812610Z",
"structure_string": "Rb1 Tb1 Se2\n1.0\n4.092725 0.004574 7.204406\n1.907029 3.621279 7.204406\n0.007569 0.004574 8.285760\nTb Rb Se\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Tb\n0.000000 0.000000 0.000000 Rb\n0.232839 0.232838 0.232838 Se\n0.767164 0.767160 0.767162 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Rb",
"Se"
],
"chemical_system": "Rb-Se-Tb",
"density": 5.4552656163644455,
"density_atomic": 0.03266348856485346,
"volume": 122.46089366902704,
"volume_molar": 18.436918481756845,
"formula_full": "Rb1 Tb1 Se2",
"formula_reduced": "RbTbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3571762833333334,
"spacegroup": 166
},
{
"id": "jvasp-10485",
"created_at": "2022-09-04T14:37:10.612164Z",
"updated_at": "2022-09-04T14:37:10.612183Z",
"structure_string": "Rb4 Sn2 Se6\n1.0\n7.129781 -0.049723 -0.046821\n3.130909 7.198435 0.055557\n2.744018 1.388785 8.406781\nRb Sn Se\n4 2 6\ndirect\n0.640348 0.467196 0.686653 Rb\n0.359652 0.532804 0.313348 Rb\n0.905159 0.797762 0.877980 Rb\n0.094841 0.202238 0.122020 Rb\n0.643753 0.937392 0.308522 Sn\n0.356246 0.062609 0.691478 Sn\n0.268233 0.946672 0.475723 Se\n0.731766 0.053328 0.524278 Se\n0.374573 0.808818 0.932411 Se\n0.625427 0.191182 0.067589 Se\n0.149438 0.398130 0.717553 Se\n0.850562 0.601870 0.282448 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"Se"
],
"chemical_system": "Rb-Se-Sn",
"density": 4.039011789857415,
"density_atomic": 0.02771773779458387,
"volume": 432.9357644167063,
"volume_molar": 21.726667611296705,
"formula_full": "Rb4 Sn2 Se6",
"formula_reduced": "Rb2SnSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3450403,
"spacegroup": 2
},
{
"id": "jvasp-96633",
"created_at": "2022-09-04T14:36:17.366808Z",
"updated_at": "2022-09-04T14:36:17.366837Z",
"structure_string": "Rb4 Sn4 Se10\n1.0\n6.963724 0.044060 1.838880\n1.787409 6.730570 1.838880\n-0.064009 -0.049552 12.244433\nRb Sn Se\n4 4 10\ndirect\n0.593565 0.935292 0.321956 Rb\n0.064708 0.406435 0.178044 Rb\n0.406434 0.064708 0.678044 Rb\n0.935292 0.593566 0.821956 Rb\n0.748495 0.442885 0.558051 Sn\n0.251504 0.557115 0.441948 Sn\n0.442885 0.748496 0.058052 Sn\n0.557115 0.251504 0.941948 Sn\n0.241248 0.138888 0.963010 Se\n0.181521 0.818479 0.250000 Se\n0.758752 0.861112 0.036990 Se\n0.649394 0.378923 0.381139 Se\n0.621077 0.350605 0.118861 Se\n0.350605 0.621078 0.618861 Se\n0.378922 0.649394 0.881139 Se\n0.818478 0.181522 0.750000 Se\n0.138888 0.241248 0.463010 Se\n0.861112 0.758752 0.536990 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"Se"
],
"chemical_system": "Rb-Se-Sn",
"density": 4.645409147313623,
"density_atomic": 0.03134856683352976,
"volume": 574.1889284950527,
"volume_molar": 19.210258612393233,
"formula_full": "Rb4 Sn4 Se10",
"formula_reduced": "Rb2Sn2Se5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 0.6930244703703703,
"spacegroup": 15
},
{
"id": "jvasp-1711",
"created_at": "2022-09-04T14:35:53.492041Z",
"updated_at": "2022-09-04T14:35:53.492062Z",
"structure_string": "Rb1 Sm1 Se2\n1.0\n4.152010 0.003108 7.193620\n1.929416 3.676487 7.193620\n0.005138 0.003108 8.305861\nRb Sm Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500001 0.499999 Sm\n0.233850 0.233850 0.233849 Se\n0.766151 0.766152 0.766149 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Sm",
"Se"
],
"chemical_system": "Rb-Se-Sm",
"density": 5.166516156704585,
"density_atomic": 0.03160752902770899,
"volume": 126.55212612454989,
"volume_molar": 19.05286792498282,
"formula_full": "Rb1 Sm1 Se2",
"formula_reduced": "RbSmSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3834864020833333,
"spacegroup": 166
},
{
"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-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",
"nsites": 3,
"nelements": 2,
"elements": [
"Rb",
"Se"
],
"chemical_system": "Rb-Se",
"density": 4.105276274371998,
"density_atomic": 0.030473037175446104,
"volume": 98.44768615375412,
"volume_molar": 19.762194117140343,
"formula_full": "Rb1 Se2",
"formula_reduced": "RbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"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",
"nsites": 3,
"nelements": 2,
"elements": [
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],
"chemical_system": "Rb-Se",
"density": 3.2383455031908452,
"density_atomic": 0.023411903758770895,
"volume": 128.13994243744906,
"volume_molar": 25.722559011220525,
"formula_full": "Rb2 Se1",
"formula_reduced": "Rb2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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": [
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],
"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-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,
"nelements": 2,
"elements": [
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],
"chemical_system": "Rb-Se",
"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-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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],
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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
}
]
}