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{
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"results": [
{
"id": "jvasp-119417",
"created_at": "2022-09-04T14:38:51.184341Z",
"updated_at": "2022-09-04T14:38:51.184363Z",
"structure_string": "Nd12 Co4\n1.0\n6.399926 -0.000000 0.000000\n0.000000 7.064535 0.000000\n-0.000000 -0.000000 9.849742\nNd Co\n12 4\ndirect\n0.351629 0.543161 0.250000 Nd\n0.148372 0.043162 0.250000 Nd\n0.648372 0.456838 0.750000 Nd\n0.851629 0.956838 0.750000 Nd\n0.825198 0.672177 0.069298 Nd\n0.674803 0.172177 0.430702 Nd\n0.174803 0.327823 0.569298 Nd\n0.325198 0.827822 0.930702 Nd\n0.174803 0.327823 0.930702 Nd\n0.325198 0.827822 0.569298 Nd\n0.825198 0.672177 0.430702 Nd\n0.674803 0.172177 0.069298 Nd\n0.562217 0.884766 0.250000 Co\n0.937784 0.384766 0.250000 Co\n0.437784 0.115233 0.750000 Co\n0.062216 0.615233 0.750000 Co\n",
"nsites": 16,
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"elements": [
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"volume": 445.33147223512265,
"volume_molar": 16.761555066612125,
"formula_full": "Nd12 Co4",
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{
"id": "jvasp-111820",
"created_at": "2022-09-04T14:38:53.629042Z",
"updated_at": "2022-09-04T14:38:53.629069Z",
"structure_string": "Cu1 Bi12 Ir3\n1.0\n4.253626 0.000000 0.000000\n0.000000 9.063092 -0.032605\n0.000000 -0.096226 11.685286\nCu Bi Ir\n1 12 3\ndirect\n0.500000 0.596136 0.978462 Cu\n0.500000 0.797641 0.610776 Bi\n0.500000 0.284531 0.884242 Bi\n0.000000 0.215761 0.393752 Bi\n0.000000 0.691465 0.121795 Bi\n0.500000 0.892548 0.908408 Bi\n0.500000 0.400700 0.604952 Bi\n0.000000 0.106359 0.085852 Bi\n0.000000 0.612426 0.399295 Bi\n0.500000 0.918004 0.318331 Bi\n0.500000 0.388986 0.179341 Bi\n0.000000 0.090091 0.682964 Bi\n0.000000 0.584353 0.815333 Bi\n0.500000 0.108074 0.523213 Ir\n0.000000 0.408470 0.015640 Ir\n0.000000 0.904450 0.477642 Ir\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cu",
"Bi",
"Ir"
],
"chemical_system": "Bi-Cu-Ir",
"density": 11.60423140158262,
"density_atomic": 0.03551876134511796,
"volume": 450.4661591246395,
"volume_molar": 16.95481636165711,
"formula_full": "Cu1 Bi12 Ir3",
"formula_reduced": "Cu(Bi4Ir)3",
"formula_anonymous": "AB3C12",
"energy_above_hull": 1.894325959375,
"spacegroup": 6
},
{
"id": "jvasp-122048",
"created_at": "2022-09-04T14:38:55.080251Z",
"updated_at": "2022-09-04T14:38:55.080279Z",
"structure_string": "Np4 Pd12\n1.0\n5.841564 0.007661 0.000000\n-2.928160 5.054681 0.000000\n-0.000000 0.000000 9.613913\nNp Pd\n4 12\ndirect\n0.000000 0.000000 0.500000 Np\n0.000000 0.000000 0.000000 Np\n0.666730 0.333269 0.750000 Np\n0.333269 0.666730 0.250000 Np\n0.500000 -0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.500000 0.500000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.172440 0.827559 0.750000 Pd\n0.655248 0.827535 0.750000 Pd\n0.172464 0.344751 0.750000 Pd\n0.827559 0.172440 0.250000 Pd\n0.344751 0.172464 0.250000 Pd\n0.827535 0.655248 0.250000 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Np",
"Pd"
],
"chemical_system": "Np-Pd",
"density": 13.005708654329649,
"density_atomic": 0.056320575433782626,
"volume": 284.0880065014883,
"volume_molar": 10.692612271123483,
"formula_full": "Np4 Pd12",
"formula_reduced": "NpPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.885274275,
"spacegroup": 194
},
{
"id": "jvasp-119541",
"created_at": "2022-09-04T14:38:51.282386Z",
"updated_at": "2022-09-04T14:38:51.282396Z",
"structure_string": "Na6 Fe2 O8\n1.0\n7.191212 0.163998 0.000067\n0.132631 6.013269 0.000067\n-0.000027 -0.000034 5.448350\nNa Fe O\n6 2 8\ndirect\n0.004878 0.145496 0.481386 Na\n0.244218 0.327582 0.979559 Na\n0.255781 0.672419 0.479557 Na\n0.495120 0.854504 0.981386 Na\n0.738682 0.675301 0.496449 Na\n0.761317 0.324700 0.996450 Na\n0.998571 0.820393 0.998806 Fe\n0.501430 0.179609 0.498805 Fe\n0.012697 0.092878 0.903352 O\n0.987893 0.800394 0.311779 O\n0.208846 0.701895 0.896224 O\n0.291150 0.298107 0.396224 O\n0.512106 0.199607 0.811781 O\n0.487303 0.907123 0.403353 O\n0.705043 0.305957 0.417179 O\n0.794955 0.694047 0.917181 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
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"density": 2.662865660357963,
"density_atomic": 0.06794551051632551,
"volume": 235.48281377848537,
"volume_molar": 8.863191569593166,
"formula_full": "Na6 Fe2 O8",
"formula_reduced": "Na3FeO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.3941083125,
"spacegroup": 4
},
{
"id": "jvasp-122129",
"created_at": "2022-09-04T14:38:55.041418Z",
"updated_at": "2022-09-04T14:38:55.041447Z",
"structure_string": "Dy6 Co4 Si6\n1.0\n5.584686 0.010696 0.000000\n-4.095526 3.796774 0.000000\n0.000000 -0.000000 13.607941\nDy Co Si\n6 4 6\ndirect\n0.638524 0.361476 0.250000 Dy\n0.361476 0.638524 0.750000 Dy\n0.919486 0.080516 0.111697 Dy\n0.080514 0.919483 0.888303 Dy\n0.080514 0.919483 0.611697 Dy\n0.919486 0.080516 0.388303 Dy\n0.785879 0.214122 0.581919 Co\n0.214121 0.785878 0.418081 Co\n0.214121 0.785878 0.081919 Co\n0.785879 0.214122 0.918081 Co\n0.332350 0.667649 0.250000 Si\n0.667650 0.332351 0.750000 Si\n0.621680 0.378320 0.040266 Si\n0.378320 0.621680 0.959734 Si\n0.378320 0.621680 0.540266 Si\n0.621680 0.378320 0.459734 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Dy",
"Co",
"Si"
],
"chemical_system": "Co-Dy-Si",
"density": 7.92115545283895,
"density_atomic": 0.05533727354708032,
"volume": 289.1360375098239,
"volume_molar": 10.882611979204997,
"formula_full": "Dy6 Co4 Si6",
"formula_reduced": "Dy3Co2Si3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": null,
"spacegroup": 63
},
{
"id": "jvasp-120710",
"created_at": "2022-09-04T14:38:53.743251Z",
"updated_at": "2022-09-04T14:38:53.743278Z",
"structure_string": "Zr10 Ga6\n1.0\n8.131037 0.000000 0.000000\n-4.065518 7.041684 0.000000\n-0.000000 -0.000000 5.671515\nZr Ga\n10 6\ndirect\n0.666667 0.333333 -0.000000 Zr\n0.333333 0.666666 -0.000000 Zr\n0.333333 0.666666 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.758094 0.758094 0.749999 Zr\n0.241906 -0.000000 0.749999 Zr\n-0.000000 0.241905 0.749999 Zr\n0.241906 0.241905 0.250000 Zr\n0.758095 -0.000000 0.250000 Zr\n-0.000000 0.758094 0.250000 Zr\n0.390664 0.390664 0.749999 Ga\n0.609336 -0.000000 0.749999 Ga\n-0.000000 0.609335 0.749999 Ga\n0.609336 0.609335 0.250000 Ga\n0.390665 -0.000000 0.250000 Ga\n-0.000000 0.390664 0.250000 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zr",
"Ga"
],
"chemical_system": "Ga-Zr",
"density": 6.804056035815974,
"density_atomic": 0.04927180001565813,
"volume": 324.729358272183,
"volume_molar": 12.222286902622226,
"formula_full": "Zr10 Ga6",
"formula_reduced": "Zr5Ga3",
"formula_anonymous": "A3B5",
"energy_above_hull": 2.882442434375,
"spacegroup": 193
},
{
"id": "jvasp-119721",
"created_at": "2022-09-04T14:38:51.829497Z",
"updated_at": "2022-09-04T14:38:51.829524Z",
"structure_string": "Li4 V1 Cr3 O8\n1.0\n5.018082 0.008884 -0.000198\n0.820162 4.822157 1.450613\n-0.000705 -0.000202 5.798048\nLi V Cr O\n4 1 3 8\ndirect\n0.000560 0.996263 0.001865 Li\n0.499440 0.003737 0.248131 Li\n0.002844 0.000967 0.498494 Li\n0.497154 0.999034 0.751502 Li\n0.749999 0.499999 0.625000 V\n0.250295 0.499774 0.378208 Cr\n0.249704 0.500226 0.871793 Cr\n0.750000 0.499999 0.125000 Cr\n0.119866 0.276745 0.180569 O\n0.380133 0.723256 0.069431 O\n0.621801 0.267820 0.431582 O\n0.878197 0.732180 0.818418 O\n0.879049 0.731875 0.315504 O\n0.620950 0.268126 0.934496 O\n0.126750 0.264942 0.684111 O\n0.373249 0.735060 0.565888 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
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"density_atomic": 0.11407365184243684,
"volume": 140.26025941643255,
"volume_molar": 5.279168907749202,
"formula_full": "Li4 V1 Cr3 O8",
"formula_reduced": "Li4VCr3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 3.036660275,
"spacegroup": 2
},
{
"id": "jvasp-119020",
"created_at": "2022-09-04T14:38:52.707100Z",
"updated_at": "2022-09-04T14:38:52.707121Z",
"structure_string": "Tm10 Ga6\n1.0\n8.427758 0.000000 0.000000\n-4.213880 7.298652 0.000000\n-0.000000 -0.000000 6.372901\nTm Ga\n10 6\ndirect\n0.666667 0.333333 -0.000000 Tm\n0.333333 0.666667 -0.000000 Tm\n0.333333 0.666667 0.500000 Tm\n0.666667 0.333333 0.500000 Tm\n0.757695 0.757694 0.750000 Tm\n0.242306 -0.000000 0.750000 Tm\n-0.000000 0.242305 0.750000 Tm\n0.242306 0.242305 0.250000 Tm\n0.757695 -0.000000 0.250000 Tm\n-0.000000 0.757694 0.250000 Tm\n0.400602 0.400602 0.750000 Ga\n0.599399 -0.000000 0.750000 Ga\n-0.000000 0.599398 0.750000 Ga\n0.599398 0.599398 0.250000 Ga\n0.400602 -0.000000 0.250000 Ga\n-0.000000 0.400602 0.250000 Ga\n",
"nsites": 16,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-Tm",
"density": 8.92815881841122,
"density_atomic": 0.040815779700677145,
"volume": 392.00525182505714,
"volume_molar": 14.75444253218588,
"formula_full": "Tm10 Ga6",
"formula_reduced": "Tm5Ga3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.7853996249999999,
"spacegroup": 193
},
{
"id": "jvasp-122009",
"created_at": "2022-09-04T14:38:54.533917Z",
"updated_at": "2022-09-04T14:38:54.533944Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n2.852418 -0.000000 0.000000\n0.000000 4.837477 -0.949428\n0.000000 0.056852 9.664273\nLi Mn Co O\n5 2 1 8\ndirect\n0.500000 0.282782 0.279745 Li\n0.500000 0.717218 0.720255 Li\n-0.000000 0.752645 0.266820 Li\n-0.000000 0.247355 0.733180 Li\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 -0.000000 Co\n0.500000 0.873874 0.107248 O\n0.500000 0.345048 0.618203 O\n-0.000000 0.370176 0.106843 O\n-0.000000 0.883152 0.612786 O\n0.500000 0.654952 0.381796 O\n0.500000 0.126126 0.892752 O\n-0.000000 0.116848 0.387214 O\n-0.000000 0.629824 0.893157 O\n",
"nsites": 16,
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],
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"density": 4.12327833076986,
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"volume": 133.50649813837947,
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"formula_full": "Li5 Mn2 Co1 O8",
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"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.566864586422414,
"spacegroup": 10
},
{
"id": "jvasp-122037",
"created_at": "2022-09-04T14:38:54.065294Z",
"updated_at": "2022-09-04T14:38:54.065317Z",
"structure_string": "Ce4 Zn12\n1.0\n4.591180 -0.000000 0.000000\n0.000000 6.510742 0.000000\n0.000000 -0.000000 10.329809\nCe Zn\n4 12\ndirect\n0.250000 0.250233 0.650177 Ce\n0.250000 0.750232 0.849823 Ce\n0.750000 0.749767 0.349823 Ce\n0.750000 0.249767 0.150177 Ce\n0.250000 0.556575 0.130846 Zn\n0.250000 0.056575 0.369154 Zn\n0.750000 0.443424 0.869154 Zn\n0.750000 0.943424 0.630846 Zn\n0.250000 0.942995 0.131176 Zn\n0.250000 0.442995 0.368824 Zn\n0.750000 0.057004 0.868824 Zn\n0.750000 0.557004 0.631176 Zn\n0.250000 0.249763 0.952254 Zn\n0.250000 0.749763 0.547746 Zn\n0.750000 0.750237 0.047746 Zn\n0.750000 0.250237 0.452254 Zn\n",
"nsites": 16,
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"elements": [
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],
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"density": 7.2350974504388965,
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"volume": 308.7785313761397,
"volume_molar": 11.621923622582438,
"formula_full": "Ce4 Zn12",
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"spacegroup": 63
},
{
"id": "jvasp-111973",
"created_at": "2022-09-04T14:38:53.710302Z",
"updated_at": "2022-09-04T14:38:53.710338Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n5.089535 0.034647 -2.969418\n-1.655811 4.773734 -3.031792\n0.019048 -0.034647 5.892406\nLi V Cr O\n4 2 2 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 -0.000000 0.500000 V\n-0.000000 0.500000 -0.000000 V\n0.000000 0.499999 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.758017 0.744498 0.486479 O\n0.748731 0.739169 0.009562 O\n0.229605 0.739168 0.490438 O\n0.241982 0.728460 0.986479 O\n0.758017 0.271539 0.013521 O\n0.770394 0.260831 0.509562 O\n0.251268 0.260830 0.990438 O\n0.241982 0.255502 0.513521 O\n",
"nsites": 16,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.197493527748022,
"density_atomic": 0.11183846170396645,
"volume": 143.06348420949843,
"volume_molar": 5.384677747035231,
"formula_full": "Li4 V2 Cr2 O8",
"formula_reduced": "Li2VCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.64834695,
"spacegroup": 74
},
{
"id": "jvasp-122120",
"created_at": "2022-09-04T14:38:55.401783Z",
"updated_at": "2022-09-04T14:38:55.401809Z",
"structure_string": "K2 Sb2 Cl12\n1.0\n6.614146 0.098111 1.116827\n3.609127 5.543533 1.116827\n-0.127773 -0.070511 11.820453\nK Sb Cl\n2 2 12\ndirect\n0.919220 0.080781 0.750000 K\n0.080782 0.919219 0.250000 K\n0.500001 -0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.470280 0.679751 0.611571 Cl\n0.529722 0.320248 0.388429 Cl\n0.320250 0.529721 0.888429 Cl\n0.679752 0.470279 0.111571 Cl\n0.387875 0.203550 0.673602 Cl\n0.612127 0.796450 0.326398 Cl\n0.796452 0.612125 0.826398 Cl\n0.203550 0.387874 0.173602 Cl\n0.784600 0.926302 0.031848 Cl\n0.215401 0.073697 0.968153 Cl\n0.073697 0.215401 0.468153 Cl\n0.926305 0.784599 0.531848 Cl\n",
"nsites": 16,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-K-Sb",
"density": 2.883725558398508,
"density_atomic": 0.03718908556433971,
"volume": 430.233756953203,
"volume_molar": 16.193301525473856,
"formula_full": "K2 Sb2 Cl12",
"formula_reduced": "KSbCl6",
"formula_anonymous": "ABC6",
"energy_above_hull": null,
"spacegroup": 15
}
]
}