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{
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"results": [
{
"id": "jvasp-52238",
"created_at": "2022-09-04T14:37:03.705622Z",
"updated_at": "2022-09-04T14:37:03.705638Z",
"structure_string": "Li4 Cu2 F8\n1.0\n5.127245 0.015439 0.000000\n-1.946169 4.743553 0.000000\n0.000000 -0.000000 5.724199\nLi Cu F\n4 2 8\ndirect\n0.000017 0.500017 0.250000 Li\n0.499982 0.999983 0.750000 Li\n0.500016 0.000017 0.250000 Li\n0.999982 0.499983 0.750000 Li\n0.000000 0.000000 0.000000 Cu\n0.499999 0.500000 0.500000 Cu\n0.234492 0.765507 0.000000 F\n0.265507 0.734492 0.500000 F\n0.249872 0.249872 0.750194 F\n0.250128 0.250128 0.250194 F\n0.749871 0.749872 0.749806 F\n0.750127 0.750128 0.249806 F\n0.734492 0.265508 0.500000 F\n0.765507 0.234492 0.000000 F\n",
"nsites": 14,
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"elements": [
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"Cu",
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],
"chemical_system": "Cu-F-Li",
"density": 3.65533247082179,
"density_atomic": 0.10043597110488874,
"volume": 139.39228989362107,
"volume_molar": 5.995999932843653,
"formula_full": "Li4 Cu2 F8",
"formula_reduced": "Li2CuF4",
"formula_anonymous": "AB2C4",
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"spacegroup": 139
},
{
"id": "jvasp-43165",
"created_at": "2022-09-04T14:36:58.892235Z",
"updated_at": "2022-09-04T14:36:58.892256Z",
"structure_string": "Li2 Mn1 V3 O8\n1.0\n5.923361 0.079085 0.055921\n3.030169 5.090239 0.055921\n3.030169 1.749469 4.780484\nLi Mn V O\n2 1 3 8\ndirect\n0.119764 0.119764 0.119764 Li\n0.502949 0.502948 0.502948 Li\n0.874303 0.874303 0.874301 Mn\n0.020203 0.490531 0.490530 V\n0.490531 0.020202 0.490530 V\n0.490531 0.490531 0.020202 V\n0.252848 0.252847 0.252847 O\n0.252708 0.252708 0.716865 O\n0.252708 0.716866 0.252707 O\n0.716866 0.252707 0.252707 O\n0.285470 0.751397 0.751396 O\n0.751398 0.285469 0.751396 O\n0.751397 0.751397 0.285469 O\n0.738332 0.738331 0.738330 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.092696456748588,
"density_atomic": 0.09868875697359555,
"volume": 141.86013107598203,
"volume_molar": 6.102154839797243,
"formula_full": "Li2 Mn1 V3 O8",
"formula_reduced": "Li2MnV3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.183357702955665,
"spacegroup": 160
},
{
"id": "jvasp-13360",
"created_at": "2022-09-04T14:37:01.455175Z",
"updated_at": "2022-09-04T14:37:01.455202Z",
"structure_string": "Li7 Sb1 O6\n1.0\n5.359125 0.007651 0.001208\n2.630644 4.755549 0.006616\n2.526923 1.582835 5.027687\nLi Sb O\n7 1 6\ndirect\n0.102355 0.740244 0.623675 Li\n0.477500 0.146997 0.616781 Li\n0.352797 0.348462 0.987758 Li\n0.612646 0.635651 0.060753 Li\n0.496409 0.899838 0.370356 Li\n0.914018 0.240101 0.352795 Li\n0.801501 0.500231 0.619272 Li\n0.004690 0.986335 0.005748 Sb\n0.091458 0.363919 0.790760 O\n0.233085 0.912704 0.241674 O\n0.628335 0.218957 0.232804 O\n0.385709 0.763498 0.766463 O\n0.783768 0.100482 0.741342 O\n0.886608 0.631582 0.232531 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb",
"density": 3.4561576206539115,
"density_atomic": 0.10940332954570724,
"volume": 127.96685492237225,
"volume_molar": 5.504531521121604,
"formula_full": "Li7 Sb1 O6",
"formula_reduced": "Li7SbO6",
"formula_anonymous": "AB6C7",
"energy_above_hull": 1.70170765,
"spacegroup": 1
},
{
"id": "jvasp-10168",
"created_at": "2022-09-04T14:36:47.306008Z",
"updated_at": "2022-09-04T14:36:47.306019Z",
"structure_string": "Zn2 Ag4 O8\n1.0\n3.232510 -0.017127 0.000047\n1.566703 7.507599 0.005992\n0.879171 1.413583 7.739836\nZn Ag O\n2 4 8\ndirect\n0.485349 0.199346 0.173313 Zn\n0.479272 0.833713 0.804785 Zn\n0.772204 0.557318 0.167457 Ag\n0.726435 0.202496 0.521332 Ag\n0.238159 0.830568 0.456781 Ag\n0.192386 0.475746 0.810663 Ag\n0.531307 0.630923 0.635092 O\n0.641337 0.782842 0.257767 O\n0.323304 0.250216 0.720361 O\n0.433273 0.402138 0.343024 O\n0.011329 0.697415 0.937913 O\n0.022122 0.082147 0.313208 O\n0.953265 0.335648 0.040205 O\n0.942495 0.950919 0.664905 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"O"
],
"chemical_system": "Ag-O-Zn",
"density": 6.096624709070204,
"density_atomic": 0.07446279518959345,
"volume": 188.01335572152374,
"volume_molar": 8.08744923510691,
"formula_full": "Zn2 Ag4 O8",
"formula_reduced": "Zn(AgO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.171431274285714,
"spacegroup": 2
},
{
"id": "jvasp-50516",
"created_at": "2022-09-04T14:36:46.284893Z",
"updated_at": "2022-09-04T14:36:46.284926Z",
"structure_string": "Sr2 Lu4 O8\n1.0\n0.000000 3.293932 0.000092\n10.956615 0.000000 0.000000\n0.000000 -1.647024 -5.444744\nSr Lu O\n2 4 8\ndirect\n0.886763 0.250000 0.773605 Sr\n0.113238 0.750000 0.226395 Sr\n0.366583 0.928218 0.733126 Lu\n0.366583 0.571781 0.733126 Lu\n0.633417 0.071781 0.266873 Lu\n0.633417 0.428218 0.266873 Lu\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.447348 0.750000 0.894667 O\n0.263547 0.107072 0.527079 O\n0.263547 0.392928 0.527079 O\n0.736453 0.607072 0.472920 O\n0.736453 0.892928 0.472920 O\n0.552652 0.250000 0.105333 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Lu",
"O"
],
"chemical_system": "Lu-O-Sr",
"density": 8.476759991695932,
"density_atomic": 0.07124644665366307,
"volume": 196.50102787659802,
"volume_molar": 8.452548923982551,
"formula_full": "Sr2 Lu4 O8",
"formula_reduced": "SrLu2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3886574014285713,
"spacegroup": 63
},
{
"id": "jvasp-13304",
"created_at": "2022-09-04T14:36:47.311024Z",
"updated_at": "2022-09-04T14:36:47.311046Z",
"structure_string": "Pr4 Cd2 Se8\n1.0\n7.784414 0.195757 0.000000\n-2.410244 7.404468 0.000000\n-2.687085 -3.800113 6.242927\nPr Cd Se\n4 2 8\ndirect\n0.118203 0.750001 0.868203 Pr\n0.250000 0.618203 0.368203 Pr\n0.381797 0.250001 0.631798 Pr\n0.750000 0.881798 0.131798 Pr\n0.625000 0.375001 0.250000 Cd\n0.875000 0.125001 0.750000 Cd\n0.004721 0.878715 0.513595 Se\n0.495279 0.008875 0.873994 Se\n0.121286 0.134880 0.126007 Se\n0.378714 0.504721 0.013594 Se\n0.634880 0.621287 0.626007 Se\n0.508874 0.995280 0.373994 Se\n0.865119 0.491127 0.986406 Se\n0.991126 0.365121 0.486406 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"Se"
],
"chemical_system": "Cd-Pr-Se",
"density": 6.5002400793870345,
"density_atomic": 0.03859041405256533,
"volume": 362.78439461494554,
"volume_molar": 15.605276356447057,
"formula_full": "Pr4 Cd2 Se8",
"formula_reduced": "Pr2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9337004166666668,
"spacegroup": 122
},
{
"id": "jvasp-44051",
"created_at": "2022-09-04T14:36:42.119686Z",
"updated_at": "2022-09-04T14:36:42.119719Z",
"structure_string": "Li4 Mn2 F8\n1.0\n5.092196 2.842701 -0.144208\n-5.092196 2.842701 0.144208\n-0.205903 0.000000 5.343688\nLi Mn F\n4 2 8\ndirect\n0.350695 0.944113 0.783695 Li\n0.055886 0.649305 0.283695 Li\n0.944114 0.350695 0.716306 Li\n0.649305 0.055886 0.216306 Li\n0.663671 0.663671 0.750000 Mn\n0.336329 0.336329 0.250000 Mn\n0.721225 0.019160 0.884923 F\n0.980840 0.278775 0.384923 F\n0.268261 0.500984 0.909525 F\n0.499016 0.731739 0.409525 F\n0.500984 0.268260 0.590476 F\n0.731739 0.499015 0.090476 F\n0.019160 0.721225 0.615078 F\n0.278775 0.980839 0.115077 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.112113277343641,
"density_atomic": 0.0905930362915915,
"volume": 154.53726437579869,
"volume_molar": 6.647465419545666,
"formula_full": "Li4 Mn2 F8",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.418666910197044,
"spacegroup": 15
},
{
"id": "jvasp-9091",
"created_at": "2022-09-04T14:36:47.381085Z",
"updated_at": "2022-09-04T14:36:47.381108Z",
"structure_string": "Th6 P8\n1.0\n7.090828 -0.000000 -2.506987\n-3.545414 6.140837 -2.506987\n-0.000000 -0.000000 7.520959\nTh P\n6 8\ndirect\n0.250001 0.625000 0.375000 Th\n0.375000 0.250000 0.625000 Th\n0.125001 0.750000 0.875000 Th\n0.875000 0.125000 0.750000 Th\n0.625001 0.375000 0.250000 Th\n0.750001 0.875000 0.125000 Th\n0.157431 0.157431 0.157431 P\n0.842569 0.500000 -0.000000 P\n0.000001 0.842569 0.500000 P\n0.500000 0.000000 0.842569 P\n0.000000 0.342569 0.500000 P\n0.500000 0.000000 0.342569 P\n0.342569 0.500000 -0.000000 P\n0.657432 0.657432 0.657431 P\n",
"nsites": 14,
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"elements": [
"Th",
"P"
],
"chemical_system": "P-Th",
"density": 8.31572446674297,
"density_atomic": 0.04274942658838677,
"volume": 327.4897727821971,
"volume_molar": 14.087067922534342,
"formula_full": "Th6 P8",
"formula_reduced": "Th3P4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.3737384000000006,
"spacegroup": 220
},
{
"id": "jvasp-50736",
"created_at": "2022-09-04T14:36:59.948021Z",
"updated_at": "2022-09-04T14:36:59.948039Z",
"structure_string": "Li2 Ag4 F8\n1.0\n5.709910 0.000001 0.000002\n-2.854956 6.675850 -0.061859\n-0.000002 2.489481 5.138633\nLi Ag F\n2 4 8\ndirect\n0.375000 0.250000 0.874999 Li\n0.625000 0.750000 0.125000 Li\n-0.000000 0.500000 -0.000000 Ag\n-0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.499999 Ag\n0.063563 0.200321 0.085272 F\n0.363243 0.799680 0.285592 F\n0.214408 0.299680 0.563563 F\n0.414728 0.700321 0.863243 F\n0.585272 0.299679 0.136756 F\n0.785592 0.700321 0.436436 F\n0.636757 0.200321 0.714407 F\n0.936437 0.799680 0.914727 F\n",
"nsites": 14,
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"elements": [
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"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 5.041311251275947,
"density_atomic": 0.07115400984923756,
"volume": 196.75630410237542,
"volume_molar": 8.463529705156217,
"formula_full": "Li2 Ag4 F8",
"formula_reduced": "LiAg2F4",
"formula_anonymous": "AB2C4",
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"spacegroup": 88
},
{
"id": "jvasp-11129",
"created_at": "2022-09-04T14:36:49.042566Z",
"updated_at": "2022-09-04T14:36:49.042599Z",
"structure_string": "K2 Pr2 Si2 Se8\n1.0\n0.000000 6.818563 0.001438\n6.997282 0.000000 0.000000\n0.000000 -2.753278 -8.476168\nK Pr Si Se\n2 2 2 8\ndirect\n0.766531 0.294274 0.065510 K\n0.233469 0.794274 0.934490 K\n0.729412 0.302787 0.552285 Pr\n0.270588 0.802787 0.447716 Pr\n0.714370 0.773456 0.312932 Si\n0.285630 0.273456 0.687068 Si\n0.527396 0.033359 0.737083 Se\n0.089219 0.271487 0.850337 Se\n0.910780 0.771487 0.149663 Se\n0.487548 0.542654 0.723367 Se\n0.512451 0.042654 0.276633 Se\n0.091533 0.229972 0.428020 Se\n0.908466 0.729972 0.571981 Se\n0.472603 0.533359 0.262918 Se\n",
"nsites": 14,
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"elements": [
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"Se"
],
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"density": 4.302902676732136,
"density_atomic": 0.03462071216257699,
"volume": 404.38220722487614,
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"formula_full": "K2 Pr2 Si2 Se8",
"formula_reduced": "KPrSiSe4",
"formula_anonymous": "ABCD4",
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"spacegroup": 4
},
{
"id": "jvasp-53582",
"created_at": "2022-09-04T14:36:45.578540Z",
"updated_at": "2022-09-04T14:36:45.578568Z",
"structure_string": "Yb2 Pr4 S8\n1.0\n7.005950 0.000000 -2.454731\n-3.513463 6.049166 -2.484393\n0.020974 0.000000 7.423517\nYb Pr S\n2 4 8\ndirect\n0.125000 0.750000 0.875001 Yb\n0.375000 0.250000 0.625000 Yb\n0.250000 0.628017 0.378018 Pr\n0.621983 0.371983 0.250000 Pr\n0.750001 0.871984 0.121984 Pr\n0.878017 0.128017 0.750000 Pr\n0.003469 0.855653 0.500565 S\n0.147816 0.144348 0.144913 S\n0.352183 0.497097 0.996532 S\n0.644913 0.644348 0.647817 S\n0.496532 0.997097 0.852185 S\n0.499435 0.002903 0.355087 S\n0.855087 0.502904 0.999436 S\n0.000564 0.355653 0.503469 S\n",
"nsites": 14,
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"elements": [
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"Pr",
"S"
],
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"density": 6.149383441291036,
"density_atomic": 0.044455559438117666,
"volume": 314.9212421786765,
"volume_molar": 13.546428919385992,
"formula_full": "Yb2 Pr4 S8",
"formula_reduced": "Yb(PrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3298629142857143,
"spacegroup": 122
},
{
"id": "jvasp-50888",
"created_at": "2022-09-04T14:36:45.878985Z",
"updated_at": "2022-09-04T14:36:45.879018Z",
"structure_string": "Ba2 Y2 Br10\n1.0\n2.940637 10.049113 0.011971\n-2.940637 10.049113 -0.011971\n-0.386336 0.000000 7.143737\nBa Y Br\n2 2 10\ndirect\n0.671231 0.671232 0.750000 Ba\n0.328768 0.328768 0.250000 Ba\n0.922448 0.922449 0.750000 Y\n0.077551 0.077551 0.250000 Y\n0.277038 0.784702 0.596027 Br\n0.215298 0.722961 0.096026 Br\n0.195977 0.181673 0.995438 Br\n0.369122 0.369123 0.750000 Br\n0.181672 0.195978 0.504563 Br\n0.818326 0.804022 0.495438 Br\n0.630877 0.630877 0.250000 Br\n0.804022 0.818326 0.004562 Br\n0.784701 0.277039 0.903974 Br\n0.722961 0.215299 0.403974 Br\n",
"nsites": 14,
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"elements": [
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"Y",
"Br"
],
"chemical_system": "Ba-Br-Y",
"density": 4.921094756832806,
"density_atomic": 0.03315185497026594,
"volume": 422.2991447252852,
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"formula_full": "Ba2 Y2 Br10",
"formula_reduced": "BaYBr5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0638059921428572,
"spacegroup": 15
}
]
}