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"results": [
{
"id": "jvasp-44027",
"created_at": "2022-09-04T14:36:17.933096Z",
"updated_at": "2022-09-04T14:36:17.933115Z",
"structure_string": "Li4 Mn4 F16\n1.0\n0.000000 5.762892 0.100605\n4.624870 0.000000 0.000000\n0.000000 -0.173358 -9.955233\nLi Mn F\n4 4 16\ndirect\n0.500008 0.249996 0.000002 Li\n0.499996 0.249997 0.500003 Li\n0.000009 0.750004 0.000002 Li\n-0.000004 0.750003 0.500002 Li\n0.208394 0.249351 0.749337 Mn\n0.791609 0.250649 0.250671 Mn\n0.708394 0.750649 0.749337 Mn\n0.291609 0.749351 0.250670 Mn\n0.448844 0.481056 0.829344 F\n0.510764 0.495399 0.331235 F\n0.010764 0.504601 0.331235 F\n0.948844 0.518944 0.829344 F\n0.279944 0.540926 0.092034 F\n0.726036 0.545176 0.590713 F\n0.273961 0.954829 0.409296 F\n0.551159 0.018942 0.170662 F\n0.051159 0.981058 0.170662 F\n0.989237 -0.004600 0.668774 F\n0.226036 0.454825 0.590713 F\n0.489238 0.004600 0.668773 F\n0.220063 0.040925 0.907971 F\n0.773961 0.045171 0.409296 F\n0.720063 0.959075 0.907972 F\n0.779944 0.459074 0.092034 F\n",
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"formula_full": "Li4 Mn4 F16",
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{
"id": "jvasp-113173",
"created_at": "2022-09-04T14:38:44.912687Z",
"updated_at": "2022-09-04T14:38:44.912707Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.250452 -0.080429 -0.000000\n0.748302 9.388261 -0.000001\n-0.000000 -0.000001 6.114365\nLi Mn P O\n4 4 4 16\ndirect\n0.169206 0.927938 0.640924 Li\n0.330792 0.572062 0.140924 Li\n0.669206 0.427938 0.859077 Li\n0.830792 0.072062 0.359076 Li\n0.222868 0.330518 0.609004 Mn\n0.277130 0.169482 0.109003 Mn\n0.722868 0.830518 0.890997 Mn\n0.777130 0.669482 0.390998 Mn\n0.260568 0.633432 0.651749 P\n0.239431 0.866568 0.151748 P\n0.760567 0.133432 0.848252 P\n0.739432 0.366568 0.348253 P\n0.485832 0.763560 0.165415 O\n0.492284 0.729192 0.646418 O\n0.507717 0.270808 0.353583 O\n0.785194 0.023355 0.660205 O\n0.261779 0.953305 0.938249 O\n0.214805 0.976644 0.339795 O\n0.285194 0.523355 0.839795 O\n0.992283 0.229192 0.853583 O\n0.985831 0.263560 0.334586 O\n0.014169 0.736440 0.665415 O\n0.714805 0.476644 0.160205 O\n0.761779 0.453305 0.561751 O\n0.738219 0.046695 0.061751 O\n0.007716 0.770808 0.146417 O\n0.238219 0.546695 0.438249 O\n0.514169 0.236440 0.834587 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.4524833314741263,
"density_atomic": 0.0927886557579234,
"volume": 301.761026402293,
"volume_molar": 6.490169203131017,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.546420963054187,
"spacegroup": 14
},
{
"id": "jvasp-112164",
"created_at": "2022-09-04T14:38:44.946490Z",
"updated_at": "2022-09-04T14:38:44.946512Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.547378 0.002873 1.018576\n1.509407 4.428333 1.417425\n0.032258 -0.013523 6.573440\nCd H C O\n1 2 3 4\ndirect\n0.244754 0.500058 0.535326 Cd\n0.199037 0.205324 0.994156 H\n0.363155 0.794787 0.076481 H\n0.784853 0.966482 0.838048 C\n0.554005 0.033630 0.232602 C\n0.444938 0.000055 0.035322 C\n0.518646 0.296505 0.242455 O\n0.665000 0.796570 0.380039 O\n0.806237 0.203540 0.690624 O\n0.022203 0.703601 0.828196 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.4528770258811,
"density_atomic": 0.09696000693479309,
"volume": 103.13530615488853,
"volume_molar": 6.210953309904331,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.624894375,
"spacegroup": 5
},
{
"id": "jvasp-34788",
"created_at": "2022-09-04T14:37:13.881855Z",
"updated_at": "2022-09-04T14:37:13.881874Z",
"structure_string": "Al2 H2 O4\n1.0\n2.859196 0.000000 0.000000\n0.000000 4.247368 0.000000\n0.000000 0.000000 4.751123\nAl H O\n2 2 4\ndirect\n0.500001 0.273706 0.492043 Al\n0.000000 0.726295 0.992043 Al\n0.500001 0.200011 0.976589 H\n0.000000 0.799990 0.476589 H\n0.000000 0.502501 0.649225 O\n0.500001 0.497500 0.149225 O\n0.000000 -0.001566 0.347552 O\n0.500001 0.001566 0.847551 O\n",
"nsites": 8,
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"elements": [
"Al",
"H",
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],
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"density_atomic": 0.13865319925225994,
"volume": 57.697911358288444,
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"formula_full": "Al2 H2 O4",
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},
{
"id": "jvasp-79276",
"created_at": "2022-09-04T14:37:14.102224Z",
"updated_at": "2022-09-04T14:37:14.102233Z",
"structure_string": "B2 N2\n1.0\n2.487326 -0.000000 -0.000000\n-1.243662 2.154087 0.000000\n0.000000 0.000000 4.455116\nB N\n2 2\ndirect\n0.666669 0.333333 0.749999 B\n0.333335 0.666668 0.250002 B\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 4,
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"elements": [
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],
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"volume": 23.870139977393467,
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},
{
"id": "jvasp-11593",
"created_at": "2022-09-04T14:37:18.465237Z",
"updated_at": "2022-09-04T14:37:18.465263Z",
"structure_string": "Ca1 V4 O10\n1.0\n3.621500 0.000000 0.000000\n0.000000 4.695663 0.000000\n0.000000 0.000000 11.420194\nCa V O\n1 4 10\ndirect\n0.000000 0.838773 0.000000 Ca\n0.000000 0.617778 0.348507 V\n0.500000 0.376534 0.155383 V\n0.500000 0.376534 0.844617 V\n0.000000 0.617778 0.651493 V\n0.500000 0.517948 0.000000 O\n0.000000 0.526883 0.500000 O\n0.500000 0.496195 0.316566 O\n0.000000 0.504897 0.170938 O\n0.500000 0.496195 0.683433 O\n0.000000 0.504897 0.829061 O\n0.000000 0.961278 0.656153 O\n0.500000 0.027175 0.872424 O\n0.500000 0.027175 0.127575 O\n0.000000 0.961278 0.343846 O\n",
"nsites": 15,
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"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 3.453006437704997,
"density_atomic": 0.07723823966627137,
"volume": 194.2043224290396,
"volume_molar": 7.796838439120677,
"formula_full": "Ca1 V4 O10",
"formula_reduced": "CaV4O10",
"formula_anonymous": "AB4C10",
"energy_above_hull": 3.2285854813333343,
"spacegroup": 25
},
{
"id": "jvasp-22716",
"created_at": "2022-09-04T14:36:43.402582Z",
"updated_at": "2022-09-04T14:36:43.402610Z",
"structure_string": "K2 Ge1 F6\n1.0\n5.643396 0.000000 -0.000000\n-2.821698 4.887324 -0.000000\n0.000000 -0.000000 4.617070\nK Ge F\n2 1 6\ndirect\n0.333333 0.666666 0.701367 K\n0.666667 0.333333 0.298632 K\n0.000000 0.000000 0.000000 Ge\n0.844057 0.155943 0.777759 F\n0.844057 0.688112 0.777759 F\n0.311888 0.155943 0.777759 F\n0.155943 0.844056 0.222241 F\n0.155943 0.311887 0.222241 F\n0.688112 0.844056 0.222241 F\n",
"nsites": 9,
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"elements": [
"K",
"Ge",
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],
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"density": 3.4532917704702295,
"density_atomic": 0.07067476829749875,
"volume": 127.34389113403742,
"volume_molar": 8.520920414836548,
"formula_full": "K2 Ge1 F6",
"formula_reduced": "K2GeF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-42268",
"created_at": "2022-09-04T14:36:18.426890Z",
"updated_at": "2022-09-04T14:36:18.426904Z",
"structure_string": "Li4 Mn4 Si4 O16\n1.0\n4.778685 0.000000 0.000000\n0.000000 6.201839 0.000000\n0.000000 0.000000 9.991484\nLi Mn Si O\n4 4 4 16\ndirect\n0.056126 0.006586 0.219081 Li\n0.443873 0.006586 0.719081 Li\n0.556126 0.506586 0.280919 Li\n0.943873 0.506586 0.780919 Li\n0.000002 0.256522 0.499996 Mn\n0.499997 0.256522 -0.000004 Mn\n0.500002 0.756522 0.000004 Mn\n-0.000002 0.756522 0.500004 Mn\n0.906305 0.006521 0.905884 Si\n0.593694 0.006521 0.405884 Si\n0.406305 0.506521 0.594115 Si\n0.093694 0.506521 0.094116 Si\n0.754978 0.229428 0.850288 O\n0.742905 0.506520 0.594594 O\n0.757094 0.506520 0.094594 O\n0.745021 0.229428 0.350288 O\n0.745004 0.783600 0.350304 O\n0.759655 0.006526 0.558870 O\n0.240344 0.506526 0.441129 O\n0.245004 0.283599 0.149696 O\n0.254978 0.729428 0.649711 O\n0.242905 0.006519 0.905406 O\n0.257094 0.006519 0.405406 O\n0.245021 0.729428 0.149712 O\n0.754995 0.783600 0.850304 O\n0.259655 0.506526 0.941129 O\n0.254995 0.283599 0.649696 O\n0.740344 0.006526 0.058871 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Si",
"O"
],
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"density": 3.453537316811955,
"density_atomic": 0.0945581882758199,
"volume": 296.11396443347536,
"volume_molar": 6.368714195785794,
"formula_full": "Li4 Mn4 Si4 O16",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-87187",
"created_at": "2022-09-04T14:36:15.456151Z",
"updated_at": "2022-09-04T14:36:15.456174Z",
"structure_string": "Rb4 Fe4 P8 O28\n1.0\n7.511184 0.007102 0.000000\n-2.234084 8.025736 0.000000\n0.000000 0.000000 10.055144\nRb Fe P O\n4 4 8 28\ndirect\n0.816331 0.455193 0.811058 Rb\n0.816332 0.955193 0.688942 Rb\n0.183668 0.044807 0.311058 Rb\n0.183669 0.544807 0.188942 Rb\n0.764713 0.738361 0.098530 Fe\n0.235287 0.761639 0.598530 Fe\n0.235287 0.261639 0.901470 Fe\n0.764713 0.238361 0.401470 Fe\n0.862259 0.665794 0.407469 P\n0.137741 0.834206 0.907468 P\n0.862259 0.165794 0.092531 P\n0.137741 0.334206 0.592531 P\n0.438821 0.187289 0.635721 P\n0.438821 0.687290 0.864279 P\n0.561179 0.812711 0.364279 P\n0.561179 0.312711 0.135721 P\n0.364780 0.274123 0.080591 O\n0.635219 0.225877 0.580590 O\n0.635220 0.725878 0.919409 O\n0.364781 0.774123 0.419409 O\n0.912182 0.236266 0.232638 O\n0.087818 0.263734 0.732638 O\n0.554380 0.263508 0.283235 O\n0.659021 0.687380 0.443103 O\n0.445620 0.236492 0.783235 O\n0.445620 0.736492 0.716765 O\n0.554380 0.763508 0.216764 O\n-0.004744 0.273066 0.991830 O\n0.004744 0.226935 0.491830 O\n0.004745 0.726935 0.008171 O\n-0.004743 0.773066 0.508170 O\n0.679791 0.487519 0.104714 O\n0.912182 0.736267 0.267362 O\n0.320209 0.012481 0.604714 O\n0.679791 0.987520 0.395286 O\n0.848777 0.982029 0.082949 O\n0.151224 0.517971 0.582948 O\n0.151224 0.017971 0.917051 O\n0.848776 0.482029 0.417051 O\n0.659021 0.187380 0.056897 O\n0.340979 0.312620 0.556897 O\n0.340979 0.812620 0.943103 O\n0.320209 0.512481 0.895286 O\n0.087818 0.763734 0.767362 O\n",
"nsites": 44,
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],
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"formula_full": "Rb4 Fe4 P8 O28",
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"formula_anonymous": "ABC2D7",
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{
"id": "jvasp-93103",
"created_at": "2022-09-04T14:36:02.588542Z",
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"structure_string": "Ce1 Mg6 Nb1\n1.0\n6.629960 -0.127524 0.000000\n-3.425419 5.677950 0.000000\n0.000000 0.000000 4.895008\nCe Mg Nb\n1 6 1\ndirect\n0.202535 0.297466 0.250000 Ce\n0.183636 0.824121 0.250000 Mg\n0.675879 0.316365 0.250000 Mg\n0.663976 0.836025 0.250000 Mg\n0.325046 0.679959 0.750000 Mg\n0.820042 0.174955 0.750000 Mg\n0.823503 0.676497 0.750000 Mg\n0.305384 0.194616 0.750000 Nb\n",
"nsites": 8,
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],
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"volume": 182.13227429309435,
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"formula_full": "Ce1 Mg6 Nb1",
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"spacegroup": 38
},
{
"id": "jvasp-8147",
"created_at": "2022-09-04T14:37:03.671445Z",
"updated_at": "2022-09-04T14:37:03.671469Z",
"structure_string": "Mg3 As2\n1.0\n2.137778 -3.702740 -0.000000\n2.137778 3.702740 0.000000\n-0.000000 -0.000000 6.763840\nMg As\n3 2\ndirect\n0.666668 0.333334 0.641343 Mg\n0.333334 0.666668 0.358657 Mg\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.231787 As\n0.333334 0.666668 0.768213 As\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.454408191709445,
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},
{
"id": "jvasp-115037",
"created_at": "2022-09-04T14:38:44.748645Z",
"updated_at": "2022-09-04T14:38:44.748708Z",
"structure_string": "Na1 Ge1 Se1\n1.0\n6.402071 -1.141321 0.000000\n-0.412282 3.677120 0.000000\n0.000000 0.000000 3.637422\nNa Ge Se\n1 1 1\ndirect\n0.411842 0.084459 0.000000 Na\n-0.201305 -0.221852 0.000000 Ge\n0.061491 0.409421 0.000000 Se\n",
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}
]
}