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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=283",
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"results": [
{
"id": "jvasp-13346",
"created_at": "2022-09-04T14:36:56.507293Z",
"updated_at": "2022-09-04T14:36:56.507325Z",
"structure_string": "K6 Fe2 O5\n1.0\n6.616853 0.008689 0.014416\n-0.294173 6.590228 0.080667\n-0.294173 -3.006554 5.865001\nK Fe O\n6 2 5\ndirect\n0.990020 0.199433 0.795484 K\n0.174915 0.361215 0.361215 K\n0.499441 0.759265 0.248792 K\n0.499441 0.248792 0.759264 K\n0.835804 0.639921 0.639921 K\n0.990020 0.795484 0.199433 K\n0.336246 0.794491 0.794490 Fe\n0.689011 0.190014 0.190014 Fe\n0.217547 0.843135 0.562504 O\n0.217547 0.562504 0.843134 O\n0.602424 0.922543 0.922542 O\n0.768343 0.164250 0.447365 O\n0.768343 0.447365 0.164250 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"K",
"Fe",
"O"
],
"chemical_system": "Fe-K-O",
"density": 2.749860000566587,
"density_atomic": 0.050502530748229794,
"volume": 257.412842631766,
"volume_molar": 11.924433628924797,
"formula_full": "K6 Fe2 O5",
"formula_reduced": "K6Fe2O5",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.153327423076923,
"spacegroup": 8
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{
"id": "jvasp-102734",
"created_at": "2022-09-04T14:36:56.771343Z",
"updated_at": "2022-09-04T14:36:56.771365Z",
"structure_string": "K1 Li1 Zn3 O4\n1.0\n4.489734 0.006398 4.073007\n3.245865 3.101953 4.073007\n0.036289 0.014582 8.178464\nK Li Zn O\n1 1 3 4\ndirect\n0.995083 0.995085 -0.001207 K\n0.181750 0.181750 0.188298 Li\n0.800841 0.800841 0.841848 Zn\n0.630468 0.630468 0.532448 Zn\n0.375924 0.375924 0.442689 Zn\n0.240701 0.240700 0.359654 O\n0.766682 0.766682 0.637011 O\n0.405503 0.405503 0.820983 O\n0.603043 0.603043 0.178284 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"K",
"Li",
"Zn",
"O"
],
"chemical_system": "K-Li-O-Zn",
"density": 4.492617428605132,
"density_atomic": 0.07950547580278035,
"volume": 113.19975019488237,
"volume_molar": 7.574498107449101,
"formula_full": "K1 Li1 Zn3 O4",
"formula_reduced": "KLiZn3O4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.4251825777777778,
"spacegroup": 8
},
{
"id": "jvasp-100440",
"created_at": "2022-09-04T14:36:57.334187Z",
"updated_at": "2022-09-04T14:36:57.334213Z",
"structure_string": "Li1 O8\n1.0\n4.359041 0.016326 2.394594\n1.989566 4.347523 1.408650\n0.041820 -0.027129 4.984089\nLi O\n1 8\ndirect\n0.492841 0.805072 0.805072 Li\n0.837388 0.338713 0.816328 O\n0.155311 0.230367 0.687269 O\n0.155312 0.687269 0.230366 O\n0.837388 0.816329 0.338712 O\n0.833879 0.268330 0.268329 O\n0.158655 0.736194 0.736194 O\n0.148004 0.156505 0.156505 O\n0.839559 0.865957 0.865956 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.3863639480816983,
"density_atomic": 0.09585209635674692,
"volume": 93.89466002395366,
"volume_molar": 6.2827428808510435,
"formula_full": "Li1 O8",
"formula_reduced": "LiO8",
"formula_anonymous": "AB8",
"energy_above_hull": 2.587455333333333,
"spacegroup": 8
},
{
"id": "jvasp-52225",
"created_at": "2022-09-04T14:36:57.207093Z",
"updated_at": "2022-09-04T14:36:57.207115Z",
"structure_string": "Ti3 Sn3 O12\n1.0\n-4.753801 4.753801 3.121831\n-0.019806 4.730300 -3.116004\n-4.730300 0.019806 -3.116004\nTi Sn O\n3 3 12\ndirect\n0.687409 0.324143 0.324143 Ti\n0.179629 0.344728 0.344728 Ti\n0.998405 0.003942 0.003942 Ti\n0.833703 0.663170 0.663170 Sn\n0.329927 0.668123 0.668123 Sn\n0.497553 0.001487 0.001487 Sn\n0.010623 0.294609 0.691605 O\n0.660067 0.625782 0.033471 O\n0.025706 0.779201 0.779201 O\n0.370851 0.429776 0.429776 O\n0.711406 0.099696 0.099696 O\n0.284651 0.906677 0.906677 O\n0.634278 0.552417 0.552417 O\n0.323632 0.984007 0.367613 O\n0.660067 0.033471 0.625782 O\n0.323632 0.367613 0.984007 O\n0.957845 0.229547 0.229547 O\n0.010623 0.691605 0.294609 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ti",
"density": 5.485259137332667,
"density_atomic": 0.08595830410160268,
"volume": 209.40385211327583,
"volume_molar": 7.005885961735393,
"formula_full": "Ti3 Sn3 O12",
"formula_reduced": "TiSnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.152769005555556,
"spacegroup": 8
},
{
"id": "jvasp-107577",
"created_at": "2022-09-04T14:36:57.439936Z",
"updated_at": "2022-09-04T14:36:57.439956Z",
"structure_string": "Ca2 Zn3 Ga1\n1.0\n4.470345 0.029494 3.608858\n2.197837 3.892862 3.608858\n0.011373 0.006690 7.277022\nCa Zn Ga\n2 3 1\ndirect\n0.458469 0.458468 0.792300 Ca\n0.542266 0.542264 0.205910 Ca\n0.163466 0.163465 0.383867 Zn\n0.164853 0.164853 0.786714 Zn\n0.835194 0.835191 0.220883 Zn\n0.835756 0.835754 0.610326 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 4.5630007014550396,
"density_atomic": 0.047636907516721144,
"volume": 125.95276042832809,
"volume_molar": 12.641754206832495,
"formula_full": "Ca2 Zn3 Ga1",
"formula_reduced": "Ca2Zn3Ga",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-104991",
"created_at": "2022-09-04T14:36:57.621288Z",
"updated_at": "2022-09-04T14:36:57.621303Z",
"structure_string": "V1 O2 F1\n1.0\n4.701382 -0.160645 2.045812\n3.755891 2.832328 2.045812\n0.122661 0.038749 4.287245\nV O F\n1 2 1\ndirect\n0.017357 0.017358 0.957119 V\n0.010667 0.010668 0.588566 O\n0.601815 0.601818 -0.023164 O\n0.823420 0.823424 0.259668 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 2.8763941211529542,
"density_atomic": 0.06797045573876093,
"volume": 58.84909784000396,
"volume_molar": 8.859938769787894,
"formula_full": "V1 O2 F1",
"formula_reduced": "VO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6346603706250002,
"spacegroup": 8
},
{
"id": "jvasp-107542",
"created_at": "2022-09-04T14:36:58.314311Z",
"updated_at": "2022-09-04T14:36:58.314326Z",
"structure_string": "Na1 La1 Mg1 Te1 O6\n1.0\n4.813287 -0.006006 2.806793\n1.593562 4.541842 2.806793\n0.002347 0.001661 5.596367\nNa La Mg Te O\n1 1 1 1 6\ndirect\n0.751422 0.751420 0.758790 Na\n0.250651 0.250650 0.239866 La\n0.999572 0.999569 0.999064 Mg\n0.501033 0.501032 0.498601 Te\n0.211803 0.698025 0.785895 O\n0.298498 0.788768 0.216299 O\n0.788770 0.298497 0.216298 O\n0.698027 0.211802 0.785895 O\n0.741007 0.741005 0.340957 O\n0.259226 0.259224 0.658331 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"La",
"Mg",
"Te",
"O"
],
"chemical_system": "La-Mg-Na-O-Te",
"density": 5.561693115694874,
"density_atomic": 0.08173151170067855,
"volume": 122.35182969112975,
"volume_molar": 7.3681994064353065,
"formula_full": "Na1 La1 Mg1 Te1 O6",
"formula_reduced": "NaLaMgTeO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 1.6412191816666668,
"spacegroup": 8
},
{
"id": "jvasp-43661",
"created_at": "2022-09-04T14:36:58.357681Z",
"updated_at": "2022-09-04T14:36:58.357700Z",
"structure_string": "Li4 Mn3 Co3 Sn2 O16\n1.0\n5.764210 -0.025613 0.025828\n-2.849158 5.010921 0.020642\n-0.041841 -0.065057 9.572744\nLi Mn Co Sn O\n4 3 3 2 16\ndirect\n0.332942 0.667036 0.101723 Li\n0.998224 0.001831 0.003954 Li\n0.998403 0.001623 0.506023 Li\n0.666409 0.333621 0.607494 Li\n0.169438 0.830616 0.784886 Mn\n0.830956 0.661449 0.284559 Mn\n0.338525 0.169013 0.284549 Mn\n0.168577 0.338957 0.785041 Co\n0.829962 0.170023 0.284629 Co\n0.661108 0.831480 0.785043 Co\n0.336452 0.663569 0.509718 Sn\n0.668600 0.331438 0.004713 Sn\n0.844778 0.155288 0.897091 O\n0.845311 0.687110 0.896904 O\n0.665632 0.334351 0.390014 O\n0.513145 0.031506 0.167273 O\n0.968483 0.486840 0.167278 O\n0.158761 0.841226 0.397228 O\n0.029699 0.515922 0.667798 O\n0.484432 0.515629 0.670590 O\n0.159404 0.312234 0.396693 O\n-0.000969 0.000922 0.190232 O\n0.000068 0.000002 0.691483 O\n0.332466 0.667604 0.888864 O\n0.514640 0.485317 0.166978 O\n0.687775 0.840594 0.396698 O\n0.484138 0.970343 0.667802 O\n0.312935 0.154752 0.896900 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-Mn-O-Sn",
"density": 5.194333192729741,
"density_atomic": 0.10151601974416674,
"volume": 275.8185365281613,
"volume_molar": 5.932207325677818,
"formula_full": "Li4 Mn3 Co3 Sn2 O16",
"formula_reduced": "Li4Mn3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.9035294222906405,
"spacegroup": 8
},
{
"id": "jvasp-107276",
"created_at": "2022-09-04T14:36:59.622019Z",
"updated_at": "2022-09-04T14:36:59.622047Z",
"structure_string": "V2 Cr1 Te4\n1.0\n6.433244 0.013594 3.348832\n5.179803 3.815292 3.348832\n0.004932 0.001626 6.968167\nV Cr Te\n2 1 4\ndirect\n0.743644 0.743643 0.276087 V\n0.998176 0.998174 0.000192 V\n0.258164 0.258165 0.721017 Cr\n0.118701 0.118702 0.548428 Te\n0.883016 0.883015 0.453675 Te\n0.367971 0.367973 0.968520 Te\n0.630326 0.630325 0.032082 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Cr",
"Te"
],
"chemical_system": "Cr-Te-V",
"density": 6.470656553964932,
"density_atomic": 0.04106262445068905,
"volume": 170.471325046603,
"volume_molar": 14.665747356776524,
"formula_full": "V2 Cr1 Te4",
"formula_reduced": "V2CrTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7597181238095243,
"spacegroup": 8
},
{
"id": "jvasp-102910",
"created_at": "2022-09-04T14:36:58.972719Z",
"updated_at": "2022-09-04T14:36:58.972739Z",
"structure_string": "N1 Cl1 O3\n1.0\n4.972877 0.393154 1.026962\n-1.323166 4.809709 1.026962\n0.283447 0.404069 3.716661\nN Cl O\n1 1 3\ndirect\n0.546338 0.546337 0.456236 N\n0.103930 0.103929 0.874162 Cl\n0.348592 0.348592 0.901757 O\n0.461818 0.749325 0.331422 O\n0.749325 0.461818 0.331421 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 1.8616297064164737,
"density_atomic": 0.05751712349081892,
"volume": 86.93063381026204,
"volume_molar": 10.470170263228262,
"formula_full": "N1 Cl1 O3",
"formula_reduced": "NClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.6634215635,
"spacegroup": 8
},
{
"id": "jvasp-104980",
"created_at": "2022-09-04T14:36:58.976934Z",
"updated_at": "2022-09-04T14:36:58.976946Z",
"structure_string": "Hf1 Cr1 Cu1 S4\n1.0\n6.106691 0.025076 2.876719\n5.083413 3.383965 2.876719\n-0.000762 -0.000232 5.926536\nHf Cr Cu S\n1 1 1 4\ndirect\n0.245570 0.245572 0.745369 Hf\n0.756453 0.756458 0.262227 Cr\n0.498422 0.498425 0.480596 Cu\n0.375569 0.375571 0.277831 S\n0.619612 0.619616 0.701714 S\n0.871380 0.871385 0.812987 S\n0.132983 0.132984 0.219279 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Hf",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-Hf-S",
"density": 5.760867264557247,
"density_atomic": 0.05750741608753819,
"volume": 121.72343110225212,
"volume_molar": 10.471937655541776,
"formula_full": "Hf1 Cr1 Cu1 S4",
"formula_reduced": "HfCrCuS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.710754407142858,
"spacegroup": 8
},
{
"id": "jvasp-45176",
"created_at": "2022-09-04T14:36:59.910191Z",
"updated_at": "2022-09-04T14:36:59.910206Z",
"structure_string": "Cr5 Sb3 O16\n1.0\n6.032200 -0.001968 0.019941\n2.986043 5.241287 0.019730\n0.052356 0.030768 8.841545\nCr Sb O\n5 3 16\ndirect\n0.836094 0.335703 0.794411 Cr\n0.656843 0.656826 0.519558 Cr\n0.335721 0.836077 0.794411 Cr\n0.169202 0.169186 0.291124 Cr\n0.326184 0.326171 0.002190 Cr\n0.833826 0.833810 0.791151 Sb\n0.666433 0.169272 0.288371 Sb\n0.169289 0.666416 0.288373 Sb\n0.659464 0.174024 0.899896 O\n0.332215 0.332198 0.409623 O\n0.049893 0.470954 0.158979 O\n0.470971 0.049876 0.158978 O\n0.830632 0.830618 0.400637 O\n0.172206 0.172189 0.892171 O\n0.519635 0.948171 0.655756 O\n0.004839 0.004819 0.686374 O\n0.335150 0.831419 0.398213 O\n0.004328 0.004308 0.175625 O\n0.478269 0.478252 0.149406 O\n0.665674 0.665660 0.906021 O\n0.529673 0.529654 0.669144 O\n0.831434 0.335135 0.398212 O\n0.948187 0.519617 0.655755 O\n0.174039 0.659449 0.899895 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-O-Sb",
"density": 5.2340451755081565,
"density_atomic": 0.08584204149443037,
"volume": 279.58328555777854,
"volume_molar": 7.015374582384239,
"formula_full": "Cr5 Sb3 O16",
"formula_reduced": "Cr5Sb3O16",
"formula_anonymous": "A3B5C16",
"energy_above_hull": 3.506960470833333,
"spacegroup": 8
}
]
}