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{
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"results": [
{
"id": "jvasp-85621",
"created_at": "2022-09-04T14:35:58.322429Z",
"updated_at": "2022-09-04T14:35:58.322460Z",
"structure_string": "Mn2 V4 O8\n1.0\n5.216887 -0.002158 3.013780\n1.737564 4.918146 3.012615\n0.000702 -0.000839 6.026257\nMn V O\n2 4 8\ndirect\n0.124984 0.125032 0.124996 Mn\n0.875013 0.874969 0.875002 Mn\n0.499998 0.500000 0.000001 V\n0.500000 -0.000000 0.500000 V\n0.500001 0.500002 0.500001 V\n0.000001 0.500000 0.499999 V\n0.716597 0.261340 0.260953 O\n0.738889 0.739033 0.738674 O\n0.261110 0.260965 0.261325 O\n0.260955 0.261127 0.716591 O\n0.738679 0.283380 0.738892 O\n0.283401 0.738661 0.739050 O\n0.739047 0.738874 0.283406 O\n0.261321 0.716620 0.261110 O\n",
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"formula_full": "Mn2 V4 O8",
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{
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"created_at": "2022-09-04T14:38:26.339510Z",
"updated_at": "2022-09-04T14:38:26.339535Z",
"structure_string": "Li4 Mn2 P4 O16\n1.0\n4.618818 0.029829 -1.140928\n-0.860385 7.215592 -3.493020\n0.021478 -0.041446 8.626390\nLi Mn P O\n4 2 4 16\ndirect\n0.117073 0.912924 0.684027 Li\n0.363188 0.589265 0.392446 Li\n0.636813 0.410734 0.607554 Li\n0.882930 0.087076 0.315974 Li\n0.274039 0.762647 0.035693 Mn\n0.725963 0.237353 0.964308 Mn\n0.864142 0.682383 0.237226 P\n0.685142 0.800481 0.805649 P\n0.135859 0.317617 0.762774 P\n0.314859 0.199518 0.194351 P\n0.379825 0.336845 0.387939 O\n0.979012 0.261393 0.568862 O\n0.996387 0.183078 0.819988 O\n0.530629 0.702265 0.211170 O\n0.448554 0.015926 0.177446 O\n0.449715 0.285755 0.095704 O\n0.620177 0.663154 0.612060 O\n0.020990 0.738607 0.431139 O\n0.551447 0.984074 0.822553 O\n0.469370 0.297734 0.788829 O\n0.003616 0.816922 0.180011 O\n0.914887 0.479637 0.121522 O\n0.085115 0.520361 0.878477 O\n0.025088 0.840716 0.876835 O\n0.550286 0.714244 0.904296 O\n0.974915 0.159283 0.123165 O\n",
"nsites": 26,
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"elements": [
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"Mn",
"P",
"O"
],
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"density_atomic": 0.09053470846840979,
"volume": 287.1826776696604,
"volume_molar": 6.651748110616937,
"formula_full": "Li4 Mn2 P4 O16",
"formula_reduced": "Li2Mn(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.7449250954907165,
"spacegroup": 2
},
{
"id": "jvasp-109178",
"created_at": "2022-09-04T14:38:03.055963Z",
"updated_at": "2022-09-04T14:38:03.055990Z",
"structure_string": "Hf1 Ti1 C1 N1\n1.0\n3.018295 -0.000361 4.527981\n1.370559 2.689177 4.527981\n-0.000590 -0.000361 5.441757\nHf Ti C N\n1 1 1 1\ndirect\n0.000319 0.000319 0.000319 Hf\n0.498430 0.498431 0.498429 Ti\n0.754002 0.754003 0.754000 C\n0.247249 0.247249 0.247248 N\n",
"nsites": 4,
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"elements": [
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"C",
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],
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"density": 9.485289568164129,
"density_atomic": 0.09053493373112971,
"volume": 44.1818404802635,
"volume_molar": 6.651731560200321,
"formula_full": "Hf1 Ti1 C1 N1",
"formula_reduced": "HfTiCN",
"formula_anonymous": "ABCD",
"energy_above_hull": 4.749071145833334,
"spacegroup": 160
},
{
"id": "jvasp-44431",
"created_at": "2022-09-04T14:38:08.390322Z",
"updated_at": "2022-09-04T14:38:08.390349Z",
"structure_string": "Li2 V2 O4 F4\n1.0\n0.000000 6.173093 0.075799\n3.487795 0.000000 0.000000\n0.000000 -2.343251 -6.184668\nLi V O F\n2 2 4 4\ndirect\n0.339336 0.759817 0.802693 Li\n0.660663 0.259816 0.197308 Li\n0.154448 0.758954 0.236699 V\n0.845551 0.258954 0.763302 V\n0.101207 0.260007 0.152828 O\n0.313097 0.759009 0.492066 O\n0.686903 0.259008 0.507935 O\n0.898793 0.760008 0.847172 O\n0.143030 0.260508 0.741825 F\n0.605542 0.260713 0.885244 F\n0.394458 0.760714 0.114757 F\n0.856969 0.760508 0.258175 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.204278746243381,
"density_atomic": 0.09053911507164354,
"volume": 132.5394001311412,
"volume_molar": 6.651424365297457,
"formula_full": "Li2 V2 O4 F4",
"formula_reduced": "LiV(OF)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.3097402941666667,
"spacegroup": 11
},
{
"id": "jvasp-119546",
"created_at": "2022-09-04T14:38:51.607513Z",
"updated_at": "2022-09-04T14:38:51.607541Z",
"structure_string": "Mn5 Sn1 O12\n1.0\n5.091816 -0.008393 0.241884\n-2.555758 4.403948 0.241884\n0.418015 0.724513 8.953601\nMn Sn O\n5 1 12\ndirect\n0.833063 0.166939 0.499999 Mn\n0.333329 0.666672 -0.000000 Mn\n0.666672 0.333330 -0.000000 Mn\n0.166939 0.833062 0.500000 Mn\n0.500001 0.500000 0.499999 Mn\n0.000000 0.000000 0.000000 Sn\n0.962716 0.605595 0.112946 O\n0.680163 0.680162 0.887066 O\n0.394407 0.037285 0.887053 O\n0.201078 0.534211 0.395751 O\n0.868433 0.868433 0.394286 O\n0.798924 0.465790 0.604248 O\n0.465790 0.798923 0.604248 O\n0.319839 0.319839 0.112933 O\n0.605595 0.962715 0.112946 O\n0.037286 0.394405 0.887053 O\n0.534212 0.201078 0.395751 O\n0.131569 0.131568 0.605713 O\n",
"nsites": 18,
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"elements": [
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"Sn",
"O"
],
"chemical_system": "Mn-O-Sn",
"density": 4.88972813552499,
"density_atomic": 0.09054418784165041,
"volume": 198.79796184686725,
"volume_molar": 6.651051716905246,
"formula_full": "Mn5 Sn1 O12",
"formula_reduced": "Mn5SnO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.434842217049808,
"spacegroup": 12
},
{
"id": "jvasp-108701",
"created_at": "2022-09-04T14:38:27.172408Z",
"updated_at": "2022-09-04T14:38:27.172429Z",
"structure_string": "Al1 Fe3 B1\n1.0\n3.808043 -0.000000 0.000000\n0.000000 3.808043 0.000000\n-0.000000 -0.000000 3.808043\nAl Fe B\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 B\n",
"nsites": 5,
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"elements": [
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"B"
],
"chemical_system": "Al-B-Fe",
"density": 6.17434321728904,
"density_atomic": 0.09054500000691926,
"volume": 55.22116074457906,
"volume_molar": 6.65099205868883,
"formula_full": "Al1 Fe3 B1",
"formula_reduced": "AlFe3B",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.474802376666666,
"spacegroup": 221
},
{
"id": "jvasp-117170",
"created_at": "2022-09-04T14:38:48.797715Z",
"updated_at": "2022-09-04T14:38:48.797724Z",
"structure_string": "Yb1 Mn28\n1.0\n7.038345 -0.000000 -2.488431\n-3.519172 6.095385 -2.488431\n-0.000000 -0.000000 7.465292\nYb Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Yb\n0.623662 0.623663 0.822000 Mn\n0.198337 0.000000 0.376337 Mn\n0.000000 0.198338 0.376338 Mn\n0.801663 0.801663 0.178000 Mn\n0.801662 0.178000 0.801662 Mn\n0.000000 0.376338 0.198338 Mn\n0.198338 0.376338 0.000000 Mn\n0.376337 0.000000 0.198337 Mn\n0.178000 0.801663 0.801663 Mn\n0.376337 0.198338 0.000000 Mn\n0.606493 0.286959 0.606493 Mn\n0.286959 0.606494 0.606494 Mn\n0.822000 0.623663 0.623663 Mn\n0.606493 0.606494 0.286959 Mn\n0.000000 0.680466 0.393507 Mn\n0.319535 0.319535 0.713041 Mn\n0.319535 0.713042 0.319535 Mn\n0.000000 0.393507 0.680465 Mn\n0.680465 0.393507 0.000000 Mn\n0.393506 0.000000 0.680465 Mn\n0.713041 0.319535 0.319535 Mn\n0.393507 0.680466 0.000000 Mn\n0.376585 0.376586 0.376585 Mn\n0.000000 0.000000 0.623414 Mn\n0.000000 0.623415 0.000000 Mn\n0.623414 0.000000 -0.000000 Mn\n0.680465 0.000000 0.393506 Mn\n0.623663 0.822001 0.623663 Mn\n",
"nsites": 29,
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"elements": [
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],
"chemical_system": "Mn-Yb",
"density": 8.872746840113457,
"density_atomic": 0.09054813412463526,
"volume": 320.27164646024465,
"volume_molar": 6.650761849726031,
"formula_full": "Yb1 Mn28",
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"formula_anonymous": "AB28",
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"spacegroup": 217
},
{
"id": "jvasp-46711",
"created_at": "2022-09-04T14:38:34.297124Z",
"updated_at": "2022-09-04T14:38:34.297138Z",
"structure_string": "Li2 Mn2 P4 O16\n1.0\n-4.578554 0.000000 0.000000\n-2.289277 4.369061 -0.127696\n0.000000 -1.773871 -13.197176\nLi Mn P O\n2 2 4 16\ndirect\n0.943849 0.000000 0.750000 Li\n0.056150 0.000000 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.685204 0.677262 0.115180 P\n0.637534 0.677262 0.615181 P\n0.362465 0.322738 0.384820 P\n0.314796 0.322738 0.884820 P\n0.220578 0.215804 0.470935 O\n0.038360 0.656239 0.919883 O\n0.305402 0.656239 0.419883 O\n0.563618 0.215804 0.970935 O\n0.478744 0.306627 0.785351 O\n0.746959 0.118063 0.380322 O\n0.253040 0.881937 0.619678 O\n0.961639 0.343761 0.080118 O\n0.436382 0.784196 0.029066 O\n0.694598 0.343761 0.580118 O\n0.214628 0.306627 0.285350 O\n0.779422 0.784196 0.529066 O\n0.785372 0.693373 0.714650 O\n0.865023 0.881937 0.119678 O\n0.521256 0.693373 0.214650 O\n0.134977 0.118064 0.880322 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Li-Mn-O-P",
"density": 3.1555285159058015,
"density_atomic": 0.09055469815977193,
"volume": 265.0331842270087,
"volume_molar": 6.6502797561919085,
"formula_full": "Li2 Mn2 P4 O16",
"formula_reduced": "LiMn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.8998380201149425,
"spacegroup": 15
},
{
"id": "jvasp-9513",
"created_at": "2022-09-04T14:36:43.632109Z",
"updated_at": "2022-09-04T14:36:43.632118Z",
"structure_string": "V2 Zn2 Si2 O10\n1.0\n5.190193 0.016341 -0.115733\n-1.135383 5.347220 0.005815\n-1.923446 -2.439134 6.413692\nV Zn Si O\n2 2 2 10\ndirect\n0.500132 0.998408 0.500839 V\n0.500129 -0.001591 0.000839 V\n0.218947 0.328990 0.723798 Zn\n0.781325 0.667844 0.277933 Zn\n0.815413 0.648500 0.761268 Si\n0.184849 0.348313 0.240422 Si\n0.573896 0.648278 0.870467 O\n0.744305 0.775315 0.575965 O\n0.426355 0.348564 0.131205 O\n0.255952 0.221487 0.425720 O\n0.166539 0.655764 0.335969 O\n0.868322 0.186631 0.060541 O\n0.833724 0.341048 0.665744 O\n0.131935 0.810197 0.941150 O\n0.604560 0.958384 0.269036 O\n0.395684 0.038455 0.732656 O\n",
"nsites": 16,
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"volume": 176.68145815105885,
"volume_molar": 6.650003816673286,
"formula_full": "V2 Zn2 Si2 O10",
"formula_reduced": "VZnSiO5",
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"spacegroup": 2
},
{
"id": "jvasp-52346",
"created_at": "2022-09-04T14:36:16.015172Z",
"updated_at": "2022-09-04T14:36:16.015188Z",
"structure_string": "Li4 Cu2 Sb2 O10\n1.0\n5.083281 -0.013877 0.039021\n-1.553890 5.305782 -0.016993\n-1.415605 -2.351860 7.366927\nLi Cu Sb O\n4 2 2 10\ndirect\n0.201104 0.898635 0.331537 Li\n0.417744 0.297182 0.825051 Li\n0.604402 0.712109 0.240285 Li\n0.766500 0.100776 0.607837 Li\n0.015928 0.507848 0.002544 Cu\n0.696082 0.901517 0.910081 Cu\n0.090798 0.687018 0.687640 Sb\n0.888036 0.297254 0.297771 Sb\n0.887824 0.672248 0.442185 O\n0.792474 0.471929 0.777575 O\n0.576864 0.079523 0.363034 O\n0.470417 0.928987 0.704460 O\n0.012379 0.014229 0.812927 O\n0.137263 0.346984 0.543124 O\n0.333211 0.649145 0.914594 O\n0.691528 0.351506 0.069573 O\n0.214634 0.524452 0.223993 O\n0.905939 0.948926 0.146933 O\n",
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],
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"volume": 198.76511606539484,
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"formula_full": "Li4 Cu2 Sb2 O10",
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{
"id": "jvasp-99990",
"created_at": "2022-09-04T14:38:40.559397Z",
"updated_at": "2022-09-04T14:38:40.559414Z",
"structure_string": "Hf1 Ta2 V1 C4\n1.0\n3.119122 -0.000723 9.917444\n1.522189 2.722474 9.917444\n-0.001234 -0.000723 10.396376\nHf Ta V C\n1 2 1 4\ndirect\n0.003202 0.003202 0.003202 Hf\n0.496693 0.496694 0.496692 Ta\n0.248844 0.248845 0.248844 Ta\n0.751477 0.751478 0.751476 V\n0.623990 0.623990 0.623989 C\n0.873085 0.873086 0.873083 C\n0.380153 0.380153 0.380152 C\n0.122558 0.122558 0.122558 C\n",
"nsites": 8,
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"elements": [
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],
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"density": 12.018405149627565,
"density_atomic": 0.0905597957424254,
"volume": 88.339421863914,
"volume_molar": 6.649905414018896,
"formula_full": "Hf1 Ta2 V1 C4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 160
},
{
"id": "jvasp-108069",
"created_at": "2022-09-04T14:35:59.310939Z",
"updated_at": "2022-09-04T14:35:59.310967Z",
"structure_string": "Ta2 C1 N1\n1.0\n3.147094 -0.000000 0.000000\n0.000000 3.147094 0.000000\n-0.000000 -0.000000 4.459586\nTa C N\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.499999 0.499999 0.500000 Ta\n0.000000 0.000000 0.500000 C\n0.499999 0.499999 -0.000000 N\n",
"nsites": 4,
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],
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"volume": 44.1686345369016,
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"formula_full": "Ta2 C1 N1",
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"spacegroup": 123
}
]
}