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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3419",
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{
"id": "jvasp-57615",
"created_at": "2022-09-04T14:38:35.823297Z",
"updated_at": "2022-09-04T14:38:35.823362Z",
"structure_string": "Pr6 Si4 S16 Br2\n1.0\n7.777897 0.000000 0.000000\n-3.888949 7.814623 -1.051381\n0.000000 -0.031972 10.984527\nPr Si S Br\n6 4 16 2\ndirect\n0.925420 0.610144 0.316590 Pr\n0.315276 0.389855 0.183410 Pr\n0.612510 0.000000 0.250000 Pr\n0.684724 0.610145 0.816590 Pr\n0.074580 0.389856 0.683411 Pr\n0.387490 0.000000 0.750000 Pr\n0.306059 0.680701 0.971729 Si\n0.693940 0.319299 0.028271 Si\n0.625358 0.319299 0.528272 Si\n0.374642 0.680701 0.471729 Si\n0.408065 0.131225 0.044589 S\n0.287346 0.431784 0.915365 S\n0.855562 0.568216 0.584635 S\n0.448054 0.704377 0.661755 S\n0.894275 0.291304 0.143619 S\n0.712654 0.568216 0.084635 S\n0.551946 0.295623 0.338245 S\n0.105725 0.708696 0.856381 S\n0.256322 0.704377 0.161755 S\n0.743678 0.295623 0.838245 S\n0.723159 0.131225 0.544590 S\n0.602971 0.708696 0.356381 S\n0.397029 0.291304 0.643619 S\n0.144438 0.431784 0.415365 S\n0.591935 0.868775 0.955411 S\n0.276841 0.868775 0.455411 S\n0.008944 0.000000 0.250000 Br\n0.991057 0.000000 0.750000 Br\n",
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"formula_full": "Pr6 Si4 S16 Br2",
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{
"id": "jvasp-39514",
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"structure_string": "Ca1 Cd1 Si1\n1.0\n4.079403 -0.000002 2.355242\n1.359801 3.846096 2.355239\n-0.000002 -0.000004 4.710486\nCa Cd Si\n1 1 1\ndirect\n0.499999 0.500001 0.500000 Ca\n0.250000 0.250001 0.250000 Cd\n0.000000 0.000000 0.000000 Si\n",
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"formula_full": "Ca1 Cd1 Si1",
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{
"id": "jvasp-1654",
"created_at": "2022-09-04T14:36:54.438063Z",
"updated_at": "2022-09-04T14:36:54.438099Z",
"structure_string": "Rb1 Pr1 S2\n1.0\n4.083461 -0.002944 6.910063\n1.886882 3.621372 6.910063\n-0.004858 -0.002944 8.026431\nRb Pr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500000 Pr\n0.766110 0.766112 0.766111 S\n0.233888 0.233889 0.233889 S\n",
"nsites": 4,
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"elements": [
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"density": 4.05703004088719,
"density_atomic": 0.03364068520189813,
"volume": 118.90364230079076,
"volume_molar": 17.901361770301307,
"formula_full": "Rb1 Pr1 S2",
"formula_reduced": "RbPrS2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-116761",
"created_at": "2022-09-04T14:38:45.097102Z",
"updated_at": "2022-09-04T14:38:45.097134Z",
"structure_string": "Ca4 Cr8 O16\n1.0\n5.163166 0.003133 -2.981200\n1.710079 11.067089 -2.981206\n0.000045 0.000015 5.962399\nCa Cr O\n4 8 16\ndirect\n0.991860 0.025353 0.008600 Ca\n0.491796 0.525354 0.508569 Ca\n0.318265 0.045459 0.681855 Ca\n0.818244 0.545458 0.181844 Ca\n0.060055 0.800149 0.430104 Cr\n0.069835 0.300159 0.930085 Cr\n0.559991 0.300157 0.930077 Cr\n0.069837 0.300160 0.439918 Cr\n0.569901 0.800160 0.939948 Cr\n0.075260 0.774205 0.924729 Cr\n0.575210 0.274207 0.424706 Cr\n0.569900 0.800159 0.430119 Cr\n0.429271 0.198251 0.057039 O\n0.201113 0.893212 0.798962 O\n0.701062 0.393214 0.298943 O\n0.201114 0.893212 0.295357 O\n0.701062 0.393215 0.795329 O\n0.929339 0.698244 0.557063 O\n0.929340 0.698246 0.070522 O\n0.703965 0.888303 0.296135 O\n0.442887 0.698246 0.070567 O\n0.942836 0.198245 0.570543 O\n0.427664 0.716794 0.572233 O\n0.927582 0.216795 0.072193 O\n0.204691 0.393243 0.298964 O\n0.203900 0.388307 0.796106 O\n0.429272 0.198253 0.570485 O\n0.704753 0.893241 0.798994 O\n",
"nsites": 28,
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],
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"volume": 340.66843301657184,
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"formula_full": "Ca4 Cr8 O16",
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"spacegroup": 160
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{
"id": "jvasp-116071",
"created_at": "2022-09-04T14:38:41.683557Z",
"updated_at": "2022-09-04T14:38:41.683583Z",
"structure_string": "Y1 O1 F2\n1.0\n-1.713461 3.913947 2.180531\n1.713461 -3.913947 2.180531\n1.713461 3.913947 -2.180531\nY O F\n1 1 2\ndirect\n0.501669 0.001669 0.500000 Y\n0.001670 0.501670 0.499999 O\n0.324758 0.501618 0.823140 F\n0.678476 0.501617 0.176860 F\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "F-O-Y",
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},
{
"id": "jvasp-117637",
"created_at": "2022-09-04T14:38:52.696335Z",
"updated_at": "2022-09-04T14:38:52.696362Z",
"structure_string": "Be1 Zn1 Br1\n1.0\n4.796897 -0.000000 -0.000000\n-2.398449 4.154235 0.000000\n0.000000 0.000000 3.170008\nBe Zn Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.666666 0.333333 0.000000 Zn\n0.333332 0.666666 0.000000 Br\n",
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"Zn",
"Br"
],
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"density_atomic": 0.047490795330004144,
"volume": 63.170136005379426,
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"formula_full": "Be1 Zn1 Br1",
"formula_reduced": "BeZnBr",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-92870",
"created_at": "2022-09-04T14:36:21.675917Z",
"updated_at": "2022-09-04T14:36:21.675952Z",
"structure_string": "Hf1 Mg6 Nb1\n1.0\n6.396403 -0.140969 0.000000\n-3.320284 5.468962 0.000000\n0.000000 0.000000 4.948465\nHf Mg Nb\n1 6 1\ndirect\n0.303074 0.196926 0.749999 Hf\n0.181782 0.828366 0.250000 Mg\n0.671634 0.318218 0.250000 Mg\n0.673224 0.826776 0.250000 Mg\n0.315477 0.669906 0.749999 Mg\n0.830093 0.184523 0.749999 Mg\n0.828529 0.671471 0.749999 Mg\n0.196187 0.303813 0.250000 Nb\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.05657717509672,
"density_atomic": 0.04684129274985508,
"volume": 170.7894793323088,
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"formula_full": "Hf1 Mg6 Nb1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-46889",
"created_at": "2022-09-04T14:38:09.141470Z",
"updated_at": "2022-09-04T14:38:09.141487Z",
"structure_string": "Li4 Ni3 O2 F6\n1.0\n5.099952 -0.004421 -0.004536\n-0.884988 -5.015197 0.004945\n-1.706288 0.270166 -5.596808\nLi Ni O F\n4 3 2 6\ndirect\n0.981899 0.261946 0.872488 Li\n0.018100 0.738053 0.127514 Li\n0.988041 0.239066 0.369444 Li\n0.011958 0.760933 0.630558 Li\n0.500000 -0.000000 0.000000 Ni\n0.501894 0.499189 0.239711 Ni\n0.498105 0.500811 0.760291 Ni\n0.725318 0.361026 0.055964 O\n0.274682 0.638973 0.944038 O\n0.231471 0.130506 0.174910 F\n0.779645 0.867525 0.310648 F\n0.760779 0.399583 0.566247 F\n0.239220 0.600417 0.433755 F\n0.768529 0.869494 0.825092 F\n0.220354 0.132475 0.689354 F\n",
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],
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"formula_full": "Li4 Ni3 O2 F6",
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{
"id": "jvasp-9417",
"created_at": "2022-09-04T14:36:35.626216Z",
"updated_at": "2022-09-04T14:36:35.626241Z",
"structure_string": "Y2 Al8 Ni2\n1.0\n3.938477 0.000000 -1.037491\n0.000000 6.643304 -0.000000\n0.000490 0.000000 7.996136\nY Al Ni\n2 8 2\ndirect\n0.383213 0.750000 0.766425 Y\n0.616788 0.250000 0.233576 Y\n0.811013 0.052250 0.622026 Al\n0.188987 0.947749 0.377974 Al\n0.188987 0.552250 0.377974 Al\n0.811013 0.447749 0.622026 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.423681 0.250000 0.847363 Al\n0.576319 0.750000 0.152638 Al\n0.273803 0.250000 0.547606 Ni\n0.726198 0.750000 0.452395 Ni\n",
"nsites": 12,
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"density": 4.056145774516623,
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"formula_full": "Y2 Al8 Ni2",
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},
{
"id": "jvasp-100120",
"created_at": "2022-09-04T14:36:15.534349Z",
"updated_at": "2022-09-04T14:36:15.534370Z",
"structure_string": "Rb2 Al1 In1 F6\n1.0\n5.434192 -0.000000 3.137433\n1.811398 5.123405 3.137433\n-0.000000 -0.000000 6.274864\nRb Al In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.749999 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 In\n0.206869 0.206869 0.793130 F\n0.206869 0.793132 0.793130 F\n0.793131 0.793132 0.206868 F\n0.206869 0.793132 0.206868 F\n0.793131 0.206869 0.793130 F\n0.793131 0.206869 0.206868 F\n",
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{
"id": "jvasp-117567",
"created_at": "2022-09-04T14:38:51.752788Z",
"updated_at": "2022-09-04T14:38:51.752823Z",
"structure_string": "Ba1 Sn1 Cl1\n1.0\n3.638302 0.000000 0.000000\n-0.000000 3.638302 0.000000\n-0.000000 0.000000 9.015758\nBa Sn Cl\n1 1 1\ndirect\n0.000000 0.000000 0.316533 Ba\n0.000000 0.000000 0.706744 Sn\n0.000000 0.000000 -0.002147 Cl\n",
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{
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"created_at": "2022-09-04T14:35:47.872366Z",
"updated_at": "2022-09-04T14:35:47.872391Z",
"structure_string": "Na1 Mn1 As1\n1.0\n-0.000000 3.151186 3.151186\n3.151186 -0.000000 3.151186\n3.151186 3.151186 0.000000\nNa Mn As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.750001 0.750001 0.750001 Mn\n0.500001 0.500001 0.500001 As\n",
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]
}