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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=214",
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"results": [
{
"id": "jvasp-10921",
"created_at": "2022-09-04T14:37:19.516496Z",
"updated_at": "2022-09-04T14:37:19.516515Z",
"structure_string": "Ca1 Fe2 Si4 O12\n1.0\n5.122383 -0.047558 1.166955\n1.399816 6.248190 0.531749\n-0.000060 0.069600 6.424739\nCa Fe Si O\n1 2 4 12\ndirect\n0.250000 0.699450 0.300550 Ca\n0.750000 0.917408 0.082592 Fe\n0.250000 0.090362 0.909638 Fe\n0.265655 0.201625 0.391783 Si\n0.777062 0.384048 0.197580 Si\n0.722938 0.802420 0.615952 Si\n0.234345 0.608218 0.798375 Si\n0.004321 0.640391 0.654357 O\n0.003883 0.378355 0.339062 O\n0.812839 0.897404 0.373549 O\n0.687162 0.626451 0.102596 O\n0.874383 0.183445 0.034715 O\n0.138125 0.805646 0.968726 O\n0.495680 0.345643 0.359609 O\n0.361876 0.031274 0.194354 O\n0.293553 0.376074 0.913233 O\n0.625618 0.965285 0.816555 O\n0.206447 0.086767 0.623926 O\n0.496118 0.660937 0.621646 O\n",
"nsites": 19,
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"elements": [
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"O"
],
"chemical_system": "Ca-Fe-O-Si",
"density": 3.6769414128291107,
"density_atomic": 0.09224194994585969,
"volume": 205.98003415096736,
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"formula_full": "Ca1 Fe2 Si4 O12",
"formula_reduced": "CaFe2(SiO3)4",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 3.0472998852631576,
"spacegroup": 5
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{
"id": "jvasp-11550",
"created_at": "2022-09-04T14:37:19.759536Z",
"updated_at": "2022-09-04T14:37:19.759563Z",
"structure_string": "Ca4 Sn2 N4\n1.0\n5.118207 -0.002328 0.003337\n-2.556454 5.551934 -0.143010\n-0.005479 -2.694550 6.279328\nCa Sn N\n4 2 4\ndirect\n0.327816 0.666928 0.415651 Ca\n0.658762 0.328818 0.584014 Ca\n0.981924 0.969660 0.257673 Ca\n0.010131 0.026079 0.741997 Ca\n0.725282 0.299209 0.113554 Sn\n0.423931 0.696512 0.886106 Sn\n0.790067 0.646002 0.399472 N\n0.141933 0.349732 0.600191 N\n0.473393 0.015706 0.776946 N\n0.455556 -0.019973 0.222709 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"N"
],
"chemical_system": "Ca-N-Sn",
"density": 4.27032722975132,
"density_atomic": 0.05667440868961746,
"volume": 176.44648142278655,
"volume_molar": 10.625855477347457,
"formula_full": "Ca4 Sn2 N4",
"formula_reduced": "Ca2SnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.949885808,
"spacegroup": 5
},
{
"id": "jvasp-42960",
"created_at": "2022-09-04T14:37:27.086838Z",
"updated_at": "2022-09-04T14:37:27.086861Z",
"structure_string": "Li5 V5 Cr2 O12\n1.0\n5.051971 0.232972 -0.139580\n2.414861 4.443549 0.139580\n-0.675478 1.078510 9.671259\nLi V Cr O\n5 5 2 12\ndirect\n0.158659 0.671136 0.512627 Li\n0.328022 0.830745 0.990475 Li\n0.671136 0.158659 0.987373 Li\n0.830744 0.328023 0.509525 Li\n0.922175 0.922175 0.750000 Li\n-0.002016 0.502460 0.989654 V\n0.502460 -0.002015 0.510346 V\n0.422032 0.422032 0.250000 V\n0.582968 0.582969 0.750000 V\n0.070518 0.070518 0.250000 V\n0.757361 0.757361 0.250000 Cr\n0.251057 0.251058 0.750000 Cr\n0.791227 0.034786 0.379211 O\n0.963815 0.211727 0.872058 O\n0.211727 0.963816 0.627942 O\n0.127438 0.367885 0.367644 O\n0.367885 0.127438 0.132356 O\n0.296172 0.531165 0.870637 O\n0.531165 0.296173 0.629363 O\n0.470142 0.715694 0.370928 O\n0.715694 0.470142 0.129072 O\n0.619773 0.875048 0.870627 O\n0.875048 0.619773 0.629373 O\n0.034786 0.791228 0.120789 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.626704444100514,
"density_atomic": 0.11423075265030518,
"volume": 210.1010405969332,
"volume_molar": 5.271908501238359,
"formula_full": "Li5 V5 Cr2 O12",
"formula_reduced": "Li5V5Cr2O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 3.294140325,
"spacegroup": 5
},
{
"id": "jvasp-44564",
"created_at": "2022-09-04T14:37:27.119506Z",
"updated_at": "2022-09-04T14:37:27.119543Z",
"structure_string": "Li2 Tl2 P2 H2 O6\n1.0\n7.100756 2.542294 -0.005895\n-7.100756 2.542294 0.005895\n0.071691 0.000000 5.392327\nLi Tl P H O\n2 2 2 2 6\ndirect\n0.297685 0.802168 0.815892 Li\n0.802167 0.297685 0.184109 Li\n0.110528 0.928569 0.250610 Tl\n0.928569 0.110528 0.749390 Tl\n0.416475 0.699053 0.305835 P\n0.699053 0.416475 0.694166 P\n0.395943 0.503117 0.225016 H\n0.503117 0.395943 0.774984 H\n0.206888 0.640811 0.146097 O\n0.341933 0.643888 0.583391 O\n0.721228 0.990699 0.260131 O\n0.990699 0.721228 0.739868 O\n0.643888 0.341933 0.416610 O\n0.640811 0.206888 0.853904 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Li",
"Tl",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-Tl",
"density": 4.969177048491337,
"density_atomic": 0.07190956538416962,
"volume": 194.68898087766777,
"volume_molar": 8.374603194759025,
"formula_full": "Li2 Tl2 P2 H2 O6",
"formula_reduced": "LiTlPHO3",
"formula_anonymous": "ABCDE3",
"energy_above_hull": 1.8404255142857144,
"spacegroup": 5
},
{
"id": "jvasp-53112",
"created_at": "2022-09-04T14:37:27.307173Z",
"updated_at": "2022-09-04T14:37:27.307208Z",
"structure_string": "Yb3 Sm3 S8\n1.0\n6.874234 -0.018294 -2.398681\n-3.465628 5.932085 -2.433956\n0.032905 0.013565 7.288558\nYb Sm S\n3 3 8\ndirect\n0.125321 0.747632 0.874468 Yb\n0.249999 0.626358 0.376358 Yb\n0.374677 0.249146 0.622311 Yb\n0.749999 0.873592 0.123591 Sm\n0.625075 0.376228 0.252413 Sm\n0.874923 0.127338 0.751152 Sm\n0.996479 0.854387 0.498237 S\n0.503519 0.001757 0.857908 S\n0.146818 0.142103 0.141299 S\n0.353180 0.494480 0.995285 S\n0.642561 0.649228 0.647243 S\n0.503364 0.001449 0.354978 S\n0.857438 0.504682 0.006666 S\n0.996635 0.351614 0.498084 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Sm",
"S"
],
"chemical_system": "S-Sm-Yb",
"density": 6.845640036289529,
"density_atomic": 0.047048691687673755,
"volume": 297.56406603050874,
"volume_molar": 12.7998049339547,
"formula_full": "Yb3 Sm3 S8",
"formula_reduced": "Yb3Sm3S8",
"formula_anonymous": "A3B3C8",
"energy_above_hull": 1.3775063374999998,
"spacegroup": 5
},
{
"id": "jvasp-34176",
"created_at": "2022-09-04T14:37:28.579961Z",
"updated_at": "2022-09-04T14:37:28.579989Z",
"structure_string": "Cr1 P2 O7\n1.0\n4.993964 -0.027344 -0.721737\n0.982242 4.896490 0.721737\n-0.003716 0.004560 4.484334\nCr P O\n1 2 7\ndirect\n0.111028 0.111027 -0.000000 Cr\n0.263269 0.667040 0.590795 P\n0.667039 0.263271 0.409204 P\n0.551599 0.551601 0.499998 O\n0.149179 0.428181 0.731944 O\n0.073952 0.811559 0.291259 O\n0.332183 0.858515 0.814371 O\n0.811556 0.073952 0.708741 O\n0.858515 0.332183 0.185625 O\n0.428181 0.149180 0.268054 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.4187364547691703,
"density_atomic": 0.09112226540454546,
"volume": 109.74266229668571,
"volume_molar": 6.608857597277862,
"formula_full": "Cr1 P2 O7",
"formula_reduced": "CrP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.0960502900000004,
"spacegroup": 5
},
{
"id": "jvasp-34177",
"created_at": "2022-09-04T14:37:28.720794Z",
"updated_at": "2022-09-04T14:37:28.720822Z",
"structure_string": "Fe1 P2 O7\n1.0\n5.022067 -0.015490 -0.726055\n1.029362 4.915466 0.726055\n0.007584 -0.009366 4.487798\nFe P O\n1 2 7\ndirect\n0.112245 0.112245 -0.000000 Fe\n0.263475 0.667519 0.592677 P\n0.667519 0.263476 0.407323 P\n0.550362 0.550364 0.500001 O\n0.145355 0.431347 0.728229 O\n0.073023 0.811468 0.294276 O\n0.337693 0.854246 0.818834 O\n0.811468 0.073021 0.705724 O\n0.854246 0.337694 0.181167 O\n0.431345 0.145356 0.271770 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.439927546511031,
"density_atomic": 0.09015135119071493,
"volume": 110.924571489173,
"volume_molar": 6.680033832504827,
"formula_full": "Fe1 P2 O7",
"formula_reduced": "FeP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9598281,
"spacegroup": 5
},
{
"id": "jvasp-34174",
"created_at": "2022-09-04T14:37:28.732349Z",
"updated_at": "2022-09-04T14:37:28.732375Z",
"structure_string": "Co1 P2 O7\n1.0\n4.388212 -0.055218 -0.068040\n-0.676924 4.938594 0.020827\n-0.676823 -0.988974 4.838623\nCo P O\n1 2 7\ndirect\n0.723598 0.444814 0.947293 Co\n0.132097 0.004632 0.797236 P\n0.315098 0.594873 0.387475 P\n0.543253 0.675273 0.196035 O\n0.005735 0.395092 0.243886 O\n0.223596 0.886778 0.505327 O\n0.441461 0.148223 0.997016 O\n0.996211 0.766825 0.919910 O\n0.903942 0.196073 0.716835 O\n0.450987 0.472198 0.625281 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 3.7005540450288854,
"density_atomic": 0.09569559632954078,
"volume": 104.49801645588416,
"volume_molar": 6.293017642381307,
"formula_full": "Co1 P2 O7",
"formula_reduced": "CoP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9551386399999995,
"spacegroup": 5
},
{
"id": "jvasp-42528",
"created_at": "2022-09-04T14:37:28.786028Z",
"updated_at": "2022-09-04T14:37:28.786045Z",
"structure_string": "Li3 Mn5 Cu2 O12\n1.0\n5.046040 0.091029 -0.080478\n2.230798 4.527069 0.080478\n-0.558583 0.880171 9.356721\nLi Mn Cu O\n3 5 2 12\ndirect\n0.315241 0.860628 0.987361 Li\n0.860629 0.315240 0.512639 Li\n0.917380 0.917380 0.750000 Li\n0.077194 0.077193 0.250000 Mn\n0.419423 0.419423 0.250000 Mn\n0.579379 0.579378 0.750000 Mn\n0.506977 0.997274 0.507156 Mn\n0.997275 0.506977 0.992844 Mn\n0.260881 0.260881 0.750000 Cu\n0.754692 0.754692 0.250000 Cu\n0.654821 0.809430 0.882378 O\n0.741397 0.425930 0.144063 O\n0.753012 0.081312 0.365433 O\n0.425930 0.741397 0.355937 O\n0.567327 0.275955 0.637606 O\n0.164388 0.309322 0.377603 O\n0.275956 0.567327 0.862394 O\n0.309323 0.164387 0.122397 O\n0.081312 0.753012 0.134566 O\n0.942134 0.259892 0.861569 O\n0.259893 0.942133 0.638430 O\n0.809430 0.654820 0.617621 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.834054019121317,
"density_atomic": 0.10420628712602134,
"volume": 211.1196992691469,
"volume_molar": 5.77905702821669,
"formula_full": "Li3 Mn5 Cu2 O12",
"formula_reduced": "Li3Mn5(CuO6)2",
"formula_anonymous": "A2B3C5D12",
"energy_above_hull": 2.890199050313479,
"spacegroup": 5
},
{
"id": "jvasp-47705",
"created_at": "2022-09-04T14:37:29.028216Z",
"updated_at": "2022-09-04T14:37:29.028242Z",
"structure_string": "Li2 V2 H4 O2 F10\n1.0\n5.581600 0.120319 -0.016920\n-2.007528 5.209470 0.016919\n-0.608753 0.408221 7.650482\nLi V H O F\n2 2 4 2 10\ndirect\n0.260119 0.711756 0.494524 Li\n0.711756 0.260119 0.005476 Li\n0.237769 0.237769 0.250000 V\n0.764922 0.764922 0.750000 V\n0.122355 0.205412 0.839773 H\n0.205412 0.122355 0.660227 H\n0.799454 0.874245 0.343535 H\n0.874245 0.799454 0.156465 H\n0.923844 0.923845 0.250000 O\n0.077894 0.077894 0.750000 O\n0.844252 0.641566 0.976621 F\n0.077133 0.417667 0.365352 F\n0.088987 0.315010 0.036038 F\n0.630771 0.978217 0.846129 F\n0.481341 0.481341 0.750000 F\n0.315011 0.088987 0.463962 F\n0.641566 0.844251 0.523379 F\n0.516808 0.516808 0.250000 F\n0.417667 0.077133 0.134648 F\n0.978217 0.630771 0.653871 F\n",
"nsites": 20,
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"elements": [
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"V",
"H",
"O",
"F"
],
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"density": 2.531136179403801,
"density_atomic": 0.08919700717745552,
"volume": 224.22276971928477,
"volume_molar": 6.751505404232992,
"formula_full": "Li2 V2 H4 O2 F10",
"formula_reduced": "LiVH2OF5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 1.18344691125,
"spacegroup": 5
},
{
"id": "jvasp-42437",
"created_at": "2022-09-04T14:37:29.529228Z",
"updated_at": "2022-09-04T14:37:29.529265Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.706343 -0.028169 -0.047890\n-0.742167 6.665209 0.047890\n-1.443402 1.297068 5.266675\nTi Mn V O\n1 1 4 12\ndirect\n0.913830 0.913831 0.250000 Ti\n0.084817 0.084817 0.750001 Mn\n0.197511 0.604811 0.762741 V\n0.389040 0.801124 0.261216 V\n0.604811 0.197510 0.737260 V\n0.801123 0.389041 0.238785 V\n0.817173 0.027701 0.859604 O\n0.616018 0.331365 0.421947 O\n0.634168 0.920402 0.248037 O\n0.668861 0.386302 0.925137 O\n0.331365 0.616018 0.078054 O\n0.182037 0.969899 0.122821 O\n0.386302 0.668861 0.574864 O\n0.920402 0.634168 0.251964 O\n0.097485 0.357455 0.774121 O\n0.027702 0.817173 0.640397 O\n0.357455 0.097485 0.725880 O\n0.969899 0.182037 0.377180 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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],
"chemical_system": "Mn-O-Ti-V",
"density": 3.5307764629566396,
"density_atomic": 0.07676669604243369,
"volume": 234.47667970561466,
"volume_molar": 7.844730945136926,
"formula_full": "Ti1 Mn1 V4 O12",
"formula_reduced": "TiMnV4O12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.665903020817368,
"spacegroup": 5
},
{
"id": "jvasp-50751",
"created_at": "2022-09-04T14:37:29.583740Z",
"updated_at": "2022-09-04T14:37:29.583761Z",
"structure_string": "Li1 Cu2 P1 O4\n1.0\n-4.670818 0.086231 0.000000\n2.290514 2.141243 4.272122\n-0.089789 4.368717 0.000000\nLi Cu P O\n1 2 1 4\ndirect\n0.251770 0.503538 0.248231 Li\n0.736336 0.472670 0.763665 Cu\n0.546770 0.093539 0.453231 Cu\n-0.010502 -0.021003 0.010502 P\n0.924126 0.201997 0.119598 O\n0.277871 0.201997 0.678405 O\n0.679690 0.773631 0.930840 O\n0.093944 0.773631 0.295529 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.363823398867513,
"density_atomic": 0.0918045701464619,
"volume": 87.14163126342262,
"volume_molar": 6.559739619054346,
"formula_full": "Li1 Cu2 P1 O4",
"formula_reduced": "LiCu2PO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.60945755,
"spacegroup": 5
}
]
}