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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=630",
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"results": [
{
"id": "jvasp-57430",
"created_at": "2022-09-04T14:37:02.534880Z",
"updated_at": "2022-09-04T14:37:02.534911Z",
"structure_string": "Ba4 Mn4 Bi4 O2\n1.0\n2.410161 -4.174522 0.000000\n2.410161 4.174522 -0.000000\n-0.000000 0.000000 20.151322\nBa Mn Bi O\n4 4 4 2\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.848644 Mn\n0.333333 0.666667 0.151356 Mn\n0.666667 0.333333 0.651356 Mn\n0.333333 0.666667 0.348644 Mn\n0.666667 0.333333 0.113102 Bi\n0.666667 0.333333 0.386898 Bi\n0.333333 0.666667 0.613102 Bi\n0.333333 0.666667 0.886898 Bi\n0.666667 0.333333 0.750000 O\n0.333333 0.666667 0.250000 O\n",
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{
"id": "jvasp-3558",
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"updated_at": "2022-09-04T14:36:01.195469Z",
"structure_string": "Rb2 Mn1 Cl4\n1.0\n4.799391 -0.000000 -1.430184\n-0.426184 4.780432 -1.430184\n0.017130 0.018726 8.825441\nRb Mn Cl\n2 1 4\ndirect\n0.357813 0.357813 0.715626 Rb\n0.642188 0.642188 0.284375 Rb\n0.000000 0.000000 0.000000 Mn\n0.842798 0.842798 0.685599 Cl\n0.157202 0.157202 0.314402 Cl\n0.000000 0.500000 0.000000 Cl\n0.500000 -0.000000 0.000000 Cl\n",
"nsites": 7,
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{
"id": "jvasp-106277",
"created_at": "2022-09-04T14:38:38.893932Z",
"updated_at": "2022-09-04T14:38:38.893948Z",
"structure_string": "Tb3 Sc1\n1.0\n4.453949 -0.011594 -3.942411\n-0.910753 4.359853 -3.942411\n0.009447 0.011594 5.948124\nTb Sc\n3 1\ndirect\n0.750001 0.250000 0.500000 Tb\n0.250001 0.749999 0.500000 Tb\n0.500000 0.500000 0.000001 Tb\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 4,
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"elements": [
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"density": 7.478308466299482,
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"volume": 115.84923370024732,
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"formula_full": "Tb3 Sc1",
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"spacegroup": 139
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{
"id": "jvasp-102063",
"created_at": "2022-09-04T14:37:03.494484Z",
"updated_at": "2022-09-04T14:37:03.494507Z",
"structure_string": "K2 Na1 Tl1 Cl6\n1.0\n6.431362 -0.000000 3.713149\n2.143787 6.063546 3.713149\n-0.000000 -0.000000 7.426296\nK Na Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.753103 0.246897 0.246897 Cl\n0.246897 0.246897 0.753103 Cl\n0.246897 0.753103 0.753103 Cl\n0.246897 0.753103 0.246897 Cl\n0.753103 0.246897 0.753103 Cl\n0.753103 0.753103 0.246897 Cl\n",
"nsites": 10,
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"elements": [
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"Tl",
"Cl"
],
"chemical_system": "Cl-K-Na-Tl",
"density": 2.9717897923302865,
"density_atomic": 0.03453012198725565,
"volume": 289.6022204523573,
"volume_molar": 17.440253359726466,
"formula_full": "K2 Na1 Tl1 Cl6",
"formula_reduced": "K2NaTlCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-55105",
"created_at": "2022-09-04T14:38:34.281539Z",
"updated_at": "2022-09-04T14:38:34.281565Z",
"structure_string": "Tm3 Al1 C1\n1.0\n5.251132 0.000000 0.000000\n0.000000 5.251132 0.000000\n-0.000000 0.000000 5.251132\nTm Al C\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Tm\n0.500000 0.000000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
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"elements": [
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"C"
],
"chemical_system": "Al-C-Tm",
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"formula_full": "Tm3 Al1 C1",
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"spacegroup": 221
},
{
"id": "jvasp-56763",
"created_at": "2022-09-04T14:37:08.851801Z",
"updated_at": "2022-09-04T14:37:08.851811Z",
"structure_string": "Tl4 Sb4 Se8\n1.0\n0.000000 9.241932 -0.000320\n4.146437 0.000000 0.000000\n0.000000 -4.312454 -12.090889\nTl Sb Se\n4 4 8\ndirect\n0.682783 0.246627 0.138784 Tl\n0.055335 0.241412 0.359360 Tl\n0.317218 0.746627 0.861216 Tl\n0.944665 0.741412 0.640640 Tl\n0.184854 0.246990 0.110255 Sb\n0.815146 0.746991 0.889745 Sb\n0.580272 0.240004 0.388891 Sb\n0.419728 0.740005 0.611109 Sb\n0.061025 0.245971 0.893471 Se\n0.345384 0.742199 0.393826 Se\n0.654616 0.242199 0.606174 Se\n0.790368 0.742180 0.388804 Se\n0.392857 0.746318 0.118559 Se\n0.209632 0.242179 0.611196 Se\n0.938975 0.745972 0.106529 Se\n0.607143 0.246318 0.881441 Se\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Sb-Se-Tl",
"density": 6.939206450731914,
"density_atomic": 0.034531746590538,
"volume": 463.34175301703795,
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"formula_full": "Tl4 Sb4 Se8",
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"formula_anonymous": "ABC2",
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"spacegroup": 11
},
{
"id": "jvasp-114353",
"created_at": "2022-09-04T14:38:40.636472Z",
"updated_at": "2022-09-04T14:38:40.636498Z",
"structure_string": "Na1 Mg1 O1\n1.0\n3.505868 0.000000 -0.000000\n-0.000000 3.505868 -0.000000\n0.000000 0.000000 7.068211\nNa Mg O\n1 1 1\ndirect\n0.000000 0.000000 0.716139 Na\n0.000000 0.000000 0.258662 Mg\n0.000000 0.000000 0.004363 O\n",
"nsites": 3,
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"elements": [
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"Mg",
"O"
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"density": 1.2097960867154656,
"density_atomic": 0.03453191223058312,
"volume": 86.87616196774229,
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"formula_full": "Na1 Mg1 O1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-40306",
"created_at": "2022-09-04T14:37:55.175911Z",
"updated_at": "2022-09-04T14:37:55.175935Z",
"structure_string": "Sr4 Cd2 As4\n1.0\n4.474496 0.000000 0.000000\n0.000000 0.000000 7.601315\n2.237248 -8.514178 0.000000\nSr Cd As\n4 2 4\ndirect\n0.466085 0.263015 0.067834 Sr\n0.297543 0.607490 0.404916 Sr\n0.702459 0.107489 0.595084 Sr\n0.533919 0.763015 0.932166 Sr\n0.903466 0.921822 0.193073 Cd\n0.096537 0.421821 0.806927 Cd\n0.935930 0.555439 0.128144 As\n0.323264 0.017879 0.353475 As\n0.676739 0.517879 0.646525 As\n0.064073 0.055438 0.871855 As\n",
"nsites": 10,
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"elements": [
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"As"
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"density": 5.017366354398662,
"density_atomic": 0.034532213731197525,
"volume": 289.5846781744454,
"volume_molar": 17.4391969390581,
"formula_full": "Sr4 Cd2 As4",
"formula_reduced": "Sr2CdAs2",
"formula_anonymous": "AB2C2",
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"spacegroup": 36
},
{
"id": "jvasp-90885",
"created_at": "2022-09-04T14:35:44.707909Z",
"updated_at": "2022-09-04T14:35:44.707936Z",
"structure_string": "Sr2 In6\n1.0\n0.000000 -0.000000 -5.187879\n-3.592327 -6.215324 0.000000\n-3.592327 6.215324 -0.000000\nSr In\n2 6\ndirect\n0.750000 0.666480 0.333520 Sr\n0.250000 0.333520 0.666480 Sr\n0.750000 0.152965 0.306346 In\n0.750000 0.153344 0.846657 In\n0.750000 0.693655 0.847036 In\n0.250000 0.847036 0.693655 In\n0.250000 0.846657 0.153344 In\n0.250000 0.306346 0.152965 In\n",
"nsites": 8,
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"volume": 231.66448999855945,
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"spacegroup": 194
},
{
"id": "jvasp-23053",
"created_at": "2022-09-04T14:38:31.652203Z",
"updated_at": "2022-09-04T14:38:31.652233Z",
"structure_string": "K12 Ta4 S16\n1.0\n9.271598 -0.000000 0.000000\n-0.000000 9.386347 0.000000\n0.000000 0.000000 10.646914\nK Ta S\n12 4 16\ndirect\n0.556776 0.288793 0.044318 K\n0.134336 0.418283 0.750000 K\n0.865664 0.581717 0.250000 K\n0.365664 0.918283 0.250000 K\n0.443224 0.711208 0.955681 K\n0.943225 0.788793 0.544318 K\n0.056776 0.211207 0.044318 K\n0.556776 0.288793 0.455681 K\n0.443224 0.711208 0.544318 K\n0.056776 0.211207 0.455681 K\n0.943225 0.788793 0.955681 K\n0.634336 0.081717 0.750000 K\n0.786909 0.013422 0.250000 Ta\n0.286909 0.486578 0.250000 Ta\n0.713092 0.513422 0.750000 Ta\n0.213092 0.986578 0.750000 Ta\n0.512545 0.586265 0.250000 S\n0.487455 0.413736 0.750000 S\n0.309049 0.244467 0.250000 S\n0.809049 0.255533 0.250000 S\n0.190951 0.744467 0.750000 S\n0.690951 0.755533 0.750000 S\n0.166443 0.552256 0.427561 S\n0.666443 0.947744 0.072439 S\n0.833557 0.447744 0.927561 S\n0.833557 0.447744 0.572439 S\n0.333557 0.052256 0.927561 S\n0.666443 0.947744 0.427561 S\n0.166443 0.552256 0.072439 S\n0.012545 0.913736 0.250000 S\n0.333557 0.052256 0.572439 S\n0.987456 0.086265 0.750000 S\n",
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"elements": [
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],
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"volume": 926.5629805904692,
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{
"id": "jvasp-92519",
"created_at": "2022-09-04T14:35:55.203088Z",
"updated_at": "2022-09-04T14:35:55.203123Z",
"structure_string": "Ba1 Mn2 Bi2\n1.0\n4.599884 0.000000 -0.000000\n0.000000 4.599884 -0.000000\n-2.299943 -2.299943 6.842013\nBa Mn Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.631079 0.631079 0.262159 Bi\n0.368921 0.368921 0.737840 Bi\n",
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"formula_full": "Ba1 Mn2 Bi2",
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},
{
"id": "jvasp-85253",
"created_at": "2022-09-04T14:37:11.961830Z",
"updated_at": "2022-09-04T14:37:11.961850Z",
"structure_string": "In2 Bi4 Se8 Br2\n1.0\n4.098875 -0.000000 0.728464\n1.298619 9.598504 4.588885\n0.022010 -0.013892 11.772019\nIn Bi Se Br\n2 4 8 2\ndirect\n0.161890 0.111079 0.565142 In\n0.838112 0.888921 0.434859 In\n0.797397 0.303099 0.102109 Bi\n0.202604 0.696901 0.897891 Bi\n0.549515 0.667349 0.233623 Bi\n0.450486 0.332651 0.766377 Bi\n0.038871 0.140077 0.782181 Se\n0.822513 0.501353 0.853624 Se\n0.283393 0.086532 0.346683 Se\n0.404809 0.166372 0.024011 Se\n0.595192 0.833628 0.975989 Se\n0.177488 0.498647 0.146377 Se\n0.961130 0.859923 0.217819 Se\n0.716608 0.913467 0.653318 Se\n0.600978 0.330548 0.467498 Br\n0.399024 0.669452 0.532502 Br\n",
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],
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"volume": 463.24160397848294,
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"formula_full": "In2 Bi4 Se8 Br2",
"formula_reduced": "InBi2Se4Br",
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"spacegroup": 12
}
]
}