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"results": [
{
"id": "jvasp-36935",
"created_at": "2022-09-04T14:38:34.412128Z",
"updated_at": "2022-09-04T14:38:34.412157Z",
"structure_string": "K2 Ca2 Cl6\n1.0\n-6.448339 0.000000 3.253360\n-4.044873 5.983680 -0.000000\n-6.404533 0.029612 -4.676975\nK Ca Cl\n2 2 6\ndirect\n0.859242 0.859242 0.422274 K\n0.140758 0.140758 0.577725 K\n0.659058 0.659058 0.022825 Ca\n0.340940 0.340941 0.977177 Ca\n0.466812 0.702050 0.767851 Cl\n0.063283 0.466813 0.767851 Cl\n0.702051 0.063284 0.767852 Cl\n0.533187 0.297949 0.232149 Cl\n0.297949 0.936715 0.232148 Cl\n0.936715 0.533187 0.232148 Cl\n",
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"volume": 304.74791573042995,
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{
"id": "jvasp-54929",
"created_at": "2022-09-04T14:38:11.260518Z",
"updated_at": "2022-09-04T14:38:11.260546Z",
"structure_string": "Ca4 Zn4 Cu2 P6\n1.0\n2.026239 -3.509547 0.000000\n2.026239 3.509547 -0.000000\n0.000000 0.000000 21.427027\nCa Zn Cu P\n4 4 2 6\ndirect\n0.000000 0.000000 0.658923 Ca\n0.000000 0.000000 0.341077 Ca\n0.000000 0.000000 0.158923 Ca\n0.000000 0.000000 0.841077 Ca\n0.333333 0.666667 0.956847 Zn\n0.666667 0.333333 0.456847 Zn\n0.666667 0.333333 0.043153 Zn\n0.333333 0.666667 0.543153 Zn\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.576332 P\n0.333333 0.666667 0.423669 P\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.923669 P\n0.333333 0.666667 0.076331 P\n0.666667 0.333333 0.250000 P\n",
"nsites": 16,
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"volume": 304.74293473774816,
"volume_molar": 11.470030303788832,
"formula_full": "Ca4 Zn4 Cu2 P6",
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"formula_anonymous": "AB2C2D3",
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"spacegroup": 194
},
{
"id": "jvasp-23767",
"created_at": "2022-09-04T14:37:41.113089Z",
"updated_at": "2022-09-04T14:37:41.113115Z",
"structure_string": "Pr4 Zn4 Sn4\n1.0\n2.292926 -3.971465 -0.000000\n2.292926 3.971465 0.000000\n-0.000000 0.000000 16.732462\nPr Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Pr\n0.000000 0.000000 0.250000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.666668 0.333334 0.842798 Zn\n0.666668 0.333334 0.657201 Zn\n0.333334 0.666668 0.157201 Zn\n0.333334 0.666668 0.342799 Zn\n0.666668 0.333334 0.115260 Sn\n0.666668 0.333334 0.384740 Sn\n0.333334 0.666668 0.884740 Sn\n0.333334 0.666668 0.615260 Sn\n",
"nsites": 12,
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"elements": [
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],
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"density": 7.084308073784809,
"density_atomic": 0.039377725262479166,
"volume": 304.74081273135727,
"volume_molar": 15.293267246541948,
"formula_full": "Pr4 Zn4 Sn4",
"formula_reduced": "PrZnSn",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"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,
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"elements": [
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],
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"density": 5.212708499283424,
"density_atomic": 0.04594785193014866,
"volume": 304.69324270660644,
"volume_molar": 13.10646854428591,
"formula_full": "Rb1 Ti5 Se8",
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"formula_anonymous": "AB5C8",
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"spacegroup": 12
},
{
"id": "jvasp-12478",
"created_at": "2022-09-04T14:38:06.590511Z",
"updated_at": "2022-09-04T14:38:06.590521Z",
"structure_string": "Sr2 Zn2 Cl8\n1.0\n6.020087 -0.000001 -2.482326\n-1.023564 5.932433 -2.482327\n-0.003062 -0.003635 8.533630\nSr Zn Cl\n2 2 8\ndirect\n0.875001 0.625000 0.750000 Sr\n0.125000 0.375000 0.250000 Sr\n0.625001 0.875000 0.250000 Zn\n0.375001 0.125001 0.750000 Zn\n0.716837 0.364858 0.914685 Cl\n0.864858 0.697849 0.414685 Cl\n0.283165 0.635143 0.085315 Cl\n0.450174 0.783165 0.585315 Cl\n0.549828 0.216836 0.414685 Cl\n0.802153 0.950173 0.085315 Cl\n0.135143 0.302152 0.585315 Cl\n0.197849 0.049828 0.914685 Cl\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Cl-Sr-Zn",
"density": 3.2140484129593583,
"density_atomic": 0.039388250532967996,
"volume": 304.6593803387127,
"volume_molar": 15.289180602117538,
"formula_full": "Sr2 Zn2 Cl8",
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"formula_anonymous": "ABC4",
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"spacegroup": 88
},
{
"id": "jvasp-119699",
"created_at": "2022-09-04T14:38:50.401843Z",
"updated_at": "2022-09-04T14:38:50.401876Z",
"structure_string": "Na6 Co2 B2 As2 O14\n1.0\n9.039455 0.008717 0.315154\n-0.004534 6.441847 -0.013936\n0.041840 0.011684 5.233123\nNa Co B As O\n6 2 2 2 14\ndirect\n0.075392 0.250297 0.768275 Na\n0.250357 0.005042 0.247895 Na\n0.250560 0.494973 0.247916 Na\n0.749447 0.505032 0.752087 Na\n0.749650 -0.005034 0.752103 Na\n0.924611 0.749702 0.231725 Na\n0.326775 0.750020 0.784109 Co\n0.673223 0.249975 0.215895 Co\n0.930940 0.250056 0.279426 B\n0.069061 0.749952 0.720571 B\n0.427860 0.249953 0.715442 As\n0.572141 0.750042 0.284559 As\n0.818547 0.250041 0.471326 O\n0.694573 0.950881 0.206126 O\n0.694474 0.549084 0.205925 O\n0.528755 0.749981 0.612576 O\n0.587353 0.249856 0.876879 O\n0.412649 0.750140 0.123117 O\n0.076605 0.250183 0.315963 O\n0.305525 0.450916 0.794058 O\n0.305429 0.049113 0.793874 O\n0.181453 0.749966 0.528671 O\n0.134316 0.750012 0.958882 O\n0.865679 0.249986 0.041119 O\n0.471245 0.250004 0.387425 O\n0.923396 0.749830 0.684027 O\n",
"nsites": 26,
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"elements": [
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"Co",
"B",
"As",
"O"
],
"chemical_system": "As-B-Co-Na-O",
"density": 3.5498485473731023,
"density_atomic": 0.08534507531341472,
"volume": 304.64558036324405,
"volume_molar": 7.056225257151337,
"formula_full": "Na6 Co2 B2 As2 O14",
"formula_reduced": "Na3CoBAsO7",
"formula_anonymous": "ABCD3E7",
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"spacegroup": 11
},
{
"id": "jvasp-9290",
"created_at": "2022-09-04T14:37:28.779308Z",
"updated_at": "2022-09-04T14:37:28.779318Z",
"structure_string": "Ca2 Mn4 S8\n1.0\n6.045832 -0.000000 -3.174139\n-1.666463 5.811626 -3.174139\n0.395010 0.524197 8.097248\nCa Mn S\n2 4 8\ndirect\n0.375000 0.625001 0.750001 Ca\n0.625000 0.375000 0.250000 Ca\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.775113 0.793136 0.550226 S\n0.742910 0.224888 0.949774 S\n0.206865 0.224888 0.949775 S\n0.224887 0.206865 0.449774 S\n0.224887 0.742911 0.449775 S\n0.257090 0.775113 0.050226 S\n0.775113 0.257090 0.550226 S\n0.793135 0.775113 0.050226 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.033143156404366,
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"volume": 304.6248340426029,
"volume_molar": 13.103525925687105,
"formula_full": "Ca2 Mn4 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 141
},
{
"id": "jvasp-122582",
"created_at": "2022-09-04T14:38:54.479580Z",
"updated_at": "2022-09-04T14:38:54.479607Z",
"structure_string": "Lu1 Sn7\n1.0\n6.728484 -0.000000 0.000000\n-0.000000 6.728484 0.000000\n0.000000 -0.000000 6.728484\nLu Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Lu\n0.255196 0.255196 0.755195 Sn\n0.000000 0.500000 0.000000 Sn\n0.255196 0.744804 0.244804 Sn\n0.500000 0.000000 0.000000 Sn\n0.744804 0.255196 0.244804 Sn\n0.500000 0.500000 0.500000 Sn\n0.744804 0.744804 0.755195 Sn\n",
"nsites": 8,
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"elements": [
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"density": 5.483630810659726,
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"volume": 304.61527128910444,
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"formula_full": "Lu1 Sn7",
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"spacegroup": 215
},
{
"id": "jvasp-32273",
"created_at": "2022-09-04T14:38:01.641195Z",
"updated_at": "2022-09-04T14:38:01.641210Z",
"structure_string": "Bi2 Cl2 F16\n1.0\n5.085801 -0.084131 -0.421873\n-0.316959 5.709180 -0.104930\n-0.123874 0.034153 10.508914\nBi Cl F\n2 2 16\ndirect\n0.000000 0.000000 0.000000 Bi\n0.000000 -0.000000 0.500000 Bi\n0.570834 0.603236 0.248426 Cl\n0.429166 0.396764 0.751574 Cl\n0.188225 0.325905 0.570256 F\n0.811775 0.674095 0.429743 F\n0.118130 0.218813 0.851085 F\n0.881870 0.781187 0.148915 F\n0.642191 0.951568 0.894986 F\n0.357809 0.048432 0.105014 F\n0.818687 0.170812 0.351535 F\n0.644648 0.531961 0.669013 F\n0.355353 0.468039 0.330987 F\n0.601019 0.448166 0.888579 F\n0.398981 0.551834 0.111420 F\n0.300563 0.947727 0.390457 F\n0.699437 0.052273 0.609542 F\n0.181313 0.829187 0.648464 F\n0.888281 0.288174 0.090872 F\n0.111719 0.711826 0.909128 F\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.322527229214237,
"density_atomic": 0.0656647655072381,
"volume": 304.57734594050197,
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"formula_full": "Bi2 Cl2 F16",
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{
"id": "jvasp-88679",
"created_at": "2022-09-04T14:35:59.218080Z",
"updated_at": "2022-09-04T14:35:59.218112Z",
"structure_string": "Au4 Cl8\n1.0\n6.443764 0.130723 2.071744\n0.581389 6.674062 0.320643\n0.035978 0.118373 7.107896\nAu Cl\n4 8\ndirect\n0.735962 0.516637 0.468667 Au\n0.264038 0.483361 0.531332 Au\n0.638002 0.234164 0.088519 Au\n0.361998 0.765835 0.911480 Au\n0.851619 0.219356 0.298989 Cl\n0.148381 0.780643 0.701010 Cl\n0.343142 0.181190 0.371985 Cl\n0.656858 0.818808 0.628014 Cl\n0.427020 0.258417 0.885503 Cl\n0.572980 0.741582 0.114496 Cl\n0.925031 0.287692 0.817321 Cl\n0.074968 0.712307 0.182679 Cl\n",
"nsites": 12,
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"volume": 304.54458558935033,
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"formula_full": "Au4 Cl8",
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},
{
"id": "jvasp-119375",
"created_at": "2022-09-04T14:38:31.895468Z",
"updated_at": "2022-09-04T14:38:31.895494Z",
"structure_string": "Li6 Mn2 P4 H2 O16\n1.0\n8.330685 0.000000 0.000000\n-0.000000 4.871343 1.192755\n-0.000000 0.087209 7.525702\nLi Mn P H O\n6 2 4 2 16\ndirect\n0.809753 0.065412 0.692441 Li\n0.655477 0.141391 0.377725 Li\n0.155476 0.858608 0.622275 Li\n0.309752 0.934587 0.307559 Li\n0.831758 0.605765 0.970944 Li\n0.331758 0.394235 0.029056 Li\n0.503220 0.761697 0.737859 Mn\n0.003220 0.238303 0.262141 Mn\n0.365640 0.375251 0.464308 P\n0.865640 0.624749 0.535692 P\n0.631859 0.121712 0.029948 P\n0.131858 0.878287 0.970052 P\n0.487431 0.680955 0.225981 H\n0.987432 0.319044 0.774019 H\n0.335479 0.630006 0.539133 O\n0.835479 0.369994 0.460867 O\n0.426469 0.490716 0.255710 O\n0.035125 0.635961 0.088366 O\n0.280292 0.765278 0.886323 O\n0.926469 0.509284 0.744291 O\n0.682342 0.920147 0.912286 O\n0.495122 0.180521 0.566257 O\n0.714865 0.791023 0.557996 O\n0.995122 0.819479 0.433744 O\n0.528701 0.968073 0.196909 O\n0.182342 0.079853 0.087715 O\n0.780292 0.234721 0.113677 O\n0.214865 0.208977 0.442004 O\n0.028701 0.031927 0.803091 O\n0.535125 0.364039 0.911634 O\n",
"nsites": 30,
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],
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"density_atomic": 0.09850966045806203,
"volume": 304.53866007153414,
"volume_molar": 6.113248926041901,
"formula_full": "Li6 Mn2 P4 H2 O16",
"formula_reduced": "Li3MnP2HO8",
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"spacegroup": 4
},
{
"id": "jvasp-63865",
"created_at": "2022-09-04T14:36:11.315697Z",
"updated_at": "2022-09-04T14:36:11.315731Z",
"structure_string": "Au4 Cl8\n1.0\n6.768245 0.157767 -0.024385\n0.626987 6.678119 0.057981\n2.230808 0.196529 6.745722\nAu Cl\n4 8\ndirect\n0.735979 0.516600 0.468807 Au\n0.264023 0.483401 0.531192 Au\n0.638224 0.234168 0.088535 Au\n0.361778 0.765833 0.911463 Au\n0.851675 0.219316 0.299217 Cl\n0.148327 0.780685 0.700782 Cl\n0.343269 0.181252 0.371909 Cl\n0.656733 0.818748 0.628090 Cl\n0.427367 0.258457 0.885335 Cl\n0.572635 0.741543 0.114663 Cl\n0.925312 0.287709 0.817431 Cl\n0.074690 0.712291 0.182568 Cl\n",
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"elements": [
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"density": 5.8424774801678785,
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"volume": 304.53715377074775,
"volume_molar": 15.283046722143398,
"formula_full": "Au4 Cl8",
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"formula_anonymous": "AB2",
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"spacegroup": 2
}
]
}