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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1293",
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"results": [
{
"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,
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"density": 5.166516156704585,
"density_atomic": 0.03160752902770899,
"volume": 126.55212612454989,
"volume_molar": 19.05286792498282,
"formula_full": "Rb1 Sm1 Se2",
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{
"id": "jvasp-1660",
"created_at": "2022-09-04T14:36:55.402466Z",
"updated_at": "2022-09-04T14:36:55.402483Z",
"structure_string": "Rb1 Sm1 S2\n1.0\n4.004012 0.001172 6.927553\n1.858894 3.546354 6.927553\n0.001938 0.001172 8.001443\nRb Sm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.499999 0.500000 Sm\n0.767368 0.767366 0.767368 S\n0.232632 0.232632 0.232632 S\n",
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"chemical_system": "Rb-S-Sm",
"density": 4.387112171486288,
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"volume": 113.53519713234127,
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"formula_full": "Rb1 Sm1 S2",
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{
"id": "jvasp-97340",
"created_at": "2022-09-04T14:38:15.435742Z",
"updated_at": "2022-09-04T14:38:15.435767Z",
"structure_string": "Rb2 Sm2 P8 O24\n1.0\n7.281638 0.013885 -1.416851\n-3.643308 6.304661 -1.416851\n0.013619 0.023651 10.586146\nRb Sm P O\n2 2 8 24\ndirect\n0.182079 0.817920 0.750000 Rb\n0.817920 0.182079 0.250000 Rb\n0.878762 0.121237 0.750000 Sm\n0.121237 0.878762 0.250000 Sm\n0.707324 0.367337 0.994750 P\n0.367338 0.707324 0.494750 P\n0.292675 0.632662 0.005250 P\n0.695819 0.736468 0.934935 P\n0.304180 0.263531 0.065066 P\n0.736469 0.695819 0.434935 P\n0.632662 0.292675 0.505251 P\n0.263531 0.304180 0.565066 P\n0.490416 0.634549 0.406490 O\n0.798735 0.745662 0.314799 O\n0.254337 0.201265 0.185201 O\n0.201265 0.254337 0.685201 O\n0.745663 0.798734 0.814800 O\n0.365450 0.509583 0.093510 O\n0.177875 0.686169 0.397404 O\n0.723834 0.472692 0.432125 O\n0.313830 0.822124 0.102597 O\n0.822125 0.313829 0.602597 O\n0.686170 0.177874 0.897404 O\n0.909941 0.509651 0.108549 O\n0.490348 0.090059 0.391451 O\n0.090059 0.490348 0.891451 O\n0.509583 0.365450 0.593510 O\n0.509651 0.909940 0.608549 O\n0.138842 0.150324 0.425446 O\n0.150325 0.138842 0.925446 O\n0.861157 0.849674 0.574554 O\n0.472692 0.723834 0.932126 O\n0.276165 0.527307 0.567875 O\n0.527307 0.276165 0.067875 O\n0.849675 0.861157 0.074554 O\n0.634550 0.490416 0.906491 O\n",
"nsites": 36,
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"elements": [
"Rb",
"Sm",
"P",
"O"
],
"chemical_system": "O-P-Rb-Sm",
"density": 3.76229172457434,
"density_atomic": 0.07391976425529861,
"volume": 487.0145401934165,
"volume_molar": 8.14686142558731,
"formula_full": "Rb2 Sm2 P8 O24",
"formula_reduced": "RbSm(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.7501073819444444,
"spacegroup": 15
},
{
"id": "jvasp-38291",
"created_at": "2022-09-04T14:37:57.863761Z",
"updated_at": "2022-09-04T14:37:57.863791Z",
"structure_string": "Rb1 Sm1 O3\n1.0\n4.578532 -0.000000 -0.000000\n0.000000 4.578532 -0.000000\n0.000000 0.000000 4.578532\nRb Sm O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "O-Rb-Sm",
"density": 4.9104637857110385,
"density_atomic": 0.052094424268131934,
"volume": 95.9795615412662,
"volume_molar": 11.56004859369175,
"formula_full": "Rb1 Sm1 O3",
"formula_reduced": "RbSmO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.266365875,
"spacegroup": 221
},
{
"id": "jvasp-1576",
"created_at": "2022-09-04T14:36:56.293371Z",
"updated_at": "2022-09-04T14:36:56.293387Z",
"structure_string": "Rb1 Sm1 O2\n1.0\n3.472591 0.003957 5.914009\n1.610968 3.076311 5.914009\n0.006530 0.003957 6.858160\nRb Sm O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500001 0.500000 Sm\n0.772977 0.772979 0.772977 O\n0.227022 0.227023 0.227022 O\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "O-Rb-Sm",
"density": 6.087426976969086,
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"volume": 73.05821228858251,
"volume_molar": 10.999170951895142,
"formula_full": "Rb1 Sm1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-11423",
"created_at": "2022-09-04T14:36:33.220564Z",
"updated_at": "2022-09-04T14:36:33.220582Z",
"structure_string": "Rb2 Sm4 Cu2 Se8\n1.0\n4.189278 -0.000000 -0.000000\n-2.094638 7.196648 0.000000\n0.000000 -0.000000 14.526477\nRb Sm Cu Se\n2 4 2 8\ndirect\n0.109910 0.219821 0.750000 Rb\n0.890090 0.780179 0.250000 Rb\n0.634367 0.268734 0.063354 Sm\n0.365633 0.731266 0.936647 Sm\n0.634367 0.268734 0.436647 Sm\n0.365633 0.731266 0.563354 Sm\n0.838704 0.677408 0.750000 Cu\n0.161296 0.322592 0.250000 Cu\n0.568043 0.136086 0.250000 Se\n0.431957 0.863914 0.750000 Se\n0.264028 0.528056 0.112255 Se\n0.735972 0.471944 0.887746 Se\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.264028 0.528056 0.387745 Se\n0.735972 0.471944 0.612255 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Sm",
"Cu",
"Se"
],
"chemical_system": "Cu-Rb-Se-Sm",
"density": 5.805456996748785,
"density_atomic": 0.036533412426214086,
"volume": 437.9552562278416,
"volume_molar": 16.483926247412054,
"formula_full": "Rb2 Sm4 Cu2 Se8",
"formula_reduced": "RbSm2CuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.8599839583333333,
"spacegroup": 63
},
{
"id": "jvasp-10710",
"created_at": "2022-09-04T14:37:20.129300Z",
"updated_at": "2022-09-04T14:37:20.129329Z",
"structure_string": "Rb2 Sm4 Cu2 S8\n1.0\n4.039956 0.000000 0.000000\n-2.019978 6.945563 0.000000\n0.000000 -0.000000 13.923292\nRb Sm Cu S\n2 4 2 8\ndirect\n0.892622 0.785243 0.250000 Rb\n0.107378 0.214756 0.750000 Rb\n0.365744 0.731488 0.938115 Sm\n0.634256 0.268511 0.438115 Sm\n0.365744 0.731488 0.561885 Sm\n0.634256 0.268511 0.061885 Sm\n0.836144 0.672288 0.750000 Cu\n0.163856 0.327712 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.572928 0.145854 0.250000 S\n0.427073 0.854145 0.750000 S\n0.261634 0.523268 0.388453 S\n0.738366 0.476732 0.888453 S\n0.738366 0.476732 0.611547 S\n0.261634 0.523268 0.111547 S\n",
"nsites": 16,
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"elements": [
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"Cu",
"S"
],
"chemical_system": "Cu-Rb-S-Sm",
"density": 4.913333591514718,
"density_atomic": 0.04095377701167484,
"volume": 390.6843560592427,
"volume_molar": 14.70472615574199,
"formula_full": "Rb2 Sm4 Cu2 S8",
"formula_reduced": "RbSm2CuS4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 63
},
{
"id": "jvasp-109151",
"created_at": "2022-09-04T14:38:02.011501Z",
"updated_at": "2022-09-04T14:38:02.011527Z",
"structure_string": "Rb1 Si4 Pt4\n1.0\n6.429681 0.002320 -0.831535\n-4.967652 4.082062 -0.831535\n-0.000830 -0.002320 6.483228\nRb Si Pt\n1 4 4\ndirect\n0.477941 0.477941 -0.000001 Rb\n0.359205 0.865028 0.268719 Si\n0.596309 0.090486 0.731280 Si\n0.090486 0.359205 0.494176 Si\n0.865028 0.596309 0.505823 Si\n0.143065 0.658926 0.846476 Pt\n0.812450 0.296588 0.153523 Pt\n0.296589 0.143065 0.484139 Pt\n0.658926 0.812449 0.515860 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Si",
"Pt"
],
"chemical_system": "Pt-Rb-Si",
"density": 9.542562090015792,
"density_atomic": 0.052875539539480446,
"volume": 170.21102911451132,
"volume_molar": 11.389275291467168,
"formula_full": "Rb1 Si4 Pt4",
"formula_reduced": "Rb(SiPt)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.834235555555555,
"spacegroup": 87
},
{
"id": "jvasp-99132",
"created_at": "2022-09-04T14:36:17.014748Z",
"updated_at": "2022-09-04T14:36:17.014774Z",
"structure_string": "Rb4 Si4 Bi4 S16\n1.0\n6.524203 0.000000 -0.316337\n0.000000 6.757537 0.000000\n-0.149012 0.000000 16.894253\nRb Si Bi S\n4 4 4 16\ndirect\n0.248187 0.244745 0.965477 Rb\n0.748186 0.255255 0.465477 Rb\n0.251814 0.744746 0.534522 Rb\n0.751813 0.755255 0.034522 Rb\n0.955085 0.268777 0.158661 Si\n0.455085 0.231223 0.658661 Si\n0.544914 0.768778 0.341339 Si\n0.044915 0.731223 0.841339 Si\n0.961870 0.286633 0.722777 Bi\n0.038129 0.713367 0.277222 Bi\n0.461870 0.213367 0.222778 Bi\n0.538129 0.786633 0.777222 Bi\n0.865734 0.992639 0.856110 S\n0.840836 0.494854 0.864762 S\n0.340837 0.005146 0.364762 S\n0.159163 0.505146 0.135238 S\n0.180592 0.240754 0.584582 S\n0.819408 0.759247 0.415418 S\n0.623748 0.813220 0.220146 S\n0.376251 0.186781 0.779853 S\n0.680592 0.259246 0.084582 S\n0.876251 0.313220 0.279853 S\n0.134265 0.007361 0.143889 S\n0.634265 0.492639 0.643889 S\n0.659163 0.994855 0.635237 S\n0.365734 0.507361 0.356111 S\n0.319408 0.740754 0.915418 S\n0.123749 0.686781 0.720146 S\n",
"nsites": 28,
"nelements": 4,
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"S"
],
"chemical_system": "Bi-Rb-S-Si",
"density": 4.021775350007169,
"density_atomic": 0.037608751164552374,
"volume": 744.5075715885781,
"volume_molar": 16.012604974972124,
"formula_full": "Rb4 Si4 Bi4 S16",
"formula_reduced": "RbSiBiS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "jvasp-115442",
"created_at": "2022-09-04T14:38:47.015044Z",
"updated_at": "2022-09-04T14:38:47.015074Z",
"structure_string": "Rb1 Si1 As1\n1.0\n7.561930 0.000000 0.000000\n-0.000000 7.561930 -0.000000\n-0.000000 -0.000000 8.827329\nRb Si As\n1 1 1\ndirect\n0.000000 0.000000 -0.042763 Rb\n0.000000 0.000000 0.566882 Si\n0.000000 0.000000 0.328716 As\n",
"nsites": 3,
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"elements": [
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],
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"density": 0.620023285438246,
"density_atomic": 0.005943286083203314,
"volume": 504.77125919926425,
"volume_molar": 101.32678581668046,
"formula_full": "Rb1 Si1 As1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-99030",
"created_at": "2022-09-04T14:36:31.676034Z",
"updated_at": "2022-09-04T14:36:31.676061Z",
"structure_string": "Rb4 S4 F20\n1.0\n6.018661 -0.000000 0.000000\n-0.000000 7.693199 0.000000\n0.000000 0.000000 9.758248\nRb S F\n4 4 20\ndirect\n0.250000 0.852568 0.156608 Rb\n0.750000 0.352568 0.343392 Rb\n0.250000 0.647433 0.656608 Rb\n0.750000 0.147433 0.843392 Rb\n0.250000 0.354171 0.097026 S\n0.750000 0.645829 0.902974 S\n0.750000 0.854172 0.402974 S\n0.250000 0.145829 0.597026 S\n0.037685 0.309704 0.579248 F\n0.537685 0.690296 0.420752 F\n0.962315 0.809704 0.920752 F\n0.462315 0.190296 0.079248 F\n0.955702 0.006695 0.355101 F\n0.455702 -0.006695 0.644899 F\n0.250000 0.201525 0.757548 F\n0.044298 -0.006695 0.644899 F\n0.544297 0.006695 0.355101 F\n0.955702 0.493305 0.855101 F\n0.455702 0.506695 0.144899 F\n0.537685 0.809704 0.920752 F\n0.037685 0.190296 0.079248 F\n0.462315 0.309704 0.579248 F\n0.962315 0.690296 0.420752 F\n0.250000 0.298475 0.257548 F\n0.750000 0.701525 0.742453 F\n0.750000 0.798475 0.242453 F\n0.544297 0.493305 0.855101 F\n0.044298 0.506695 0.144899 F\n",
"nsites": 28,
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"elements": [
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"S",
"F"
],
"chemical_system": "F-Rb-S",
"density": 3.124208700081888,
"density_atomic": 0.06196969107555012,
"volume": 451.83378380673065,
"volume_molar": 9.717880879312645,
"formula_full": "Rb4 S4 F20",
"formula_reduced": "RbSF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-36905",
"created_at": "2022-09-04T14:38:07.262450Z",
"updated_at": "2022-09-04T14:38:07.262474Z",
"structure_string": "Rb2 Se2 Br6\n1.0\n0.000000 5.222755 0.037024\n8.601482 0.000000 0.000000\n0.000000 -0.891644 -7.603353\nRb Se Br\n2 2 6\ndirect\n0.214247 0.750000 0.659952 Rb\n0.785755 0.250000 0.340048 Rb\n0.000000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.283039 0.507079 0.307806 Br\n0.716963 0.007079 0.692194 Br\n0.283039 -0.007079 0.307806 Br\n0.716963 0.492920 0.692194 Br\n0.747202 0.750000 0.086755 Br\n0.252800 0.250000 0.913246 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Se",
"Br"
],
"chemical_system": "Br-Rb-Se",
"density": 3.9327271139616204,
"density_atomic": 0.02930104416730291,
"volume": 341.2847659251345,
"volume_molar": 20.552648996448116,
"formula_full": "Rb2 Se2 Br6",
"formula_reduced": "RbSeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 11
}
]
}