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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=961",
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"results": [
{
"id": "jvasp-98071",
"created_at": "2022-09-04T14:35:54.048326Z",
"updated_at": "2022-09-04T14:35:54.048352Z",
"structure_string": "Zn16 Te8 Br16 O24\n1.0\n7.718891 -0.000000 0.000000\n-0.000000 10.596583 0.000000\n0.000000 0.000000 16.069833\nZn Te Br O\n16 8 16 24\ndirect\n0.401822 0.236824 0.977266 Zn\n0.098178 0.736824 0.022734 Zn\n0.160411 0.491920 0.608867 Zn\n0.901822 0.236824 0.522734 Zn\n0.098178 0.763175 0.477266 Zn\n0.339589 0.508080 0.108867 Zn\n0.160411 0.008080 0.891133 Zn\n0.839589 0.991919 0.108867 Zn\n0.901822 0.263175 0.977266 Zn\n0.839589 0.508080 0.391133 Zn\n0.401822 0.263175 0.522734 Zn\n0.598178 0.763175 0.022734 Zn\n0.660411 0.008080 0.608867 Zn\n0.660411 0.491920 0.891133 Zn\n0.339589 0.991919 0.391133 Zn\n0.598178 0.736824 0.477266 Zn\n0.710018 0.027934 0.904784 Te\n0.210018 0.027934 0.595216 Te\n0.789982 0.527934 0.095216 Te\n0.289982 0.972065 0.095216 Te\n0.710018 0.472066 0.595216 Te\n0.289982 0.527934 0.404784 Te\n0.789982 0.972065 0.404784 Te\n0.210018 0.472066 0.904784 Te\n0.650441 0.914245 0.214307 Br\n0.557832 0.790798 0.630867 Br\n0.057832 0.790798 0.869133 Br\n0.849559 0.085755 0.714307 Br\n0.442168 0.209201 0.369133 Br\n0.849559 0.414245 0.785693 Br\n0.349559 0.085755 0.785693 Br\n0.942168 0.209201 0.130867 Br\n0.650441 0.585754 0.285693 Br\n0.057832 0.709201 0.630867 Br\n0.442168 0.290798 0.130867 Br\n0.150441 0.914245 0.285693 Br\n0.557832 0.709201 0.869133 Br\n0.150441 0.585754 0.214307 Br\n0.942168 0.290798 0.369133 Br\n0.349559 0.414245 0.714307 Br\n0.940854 0.411546 0.577739 O\n0.559145 0.588453 0.077739 O\n0.059145 0.911546 0.077739 O\n0.808660 0.057576 0.511476 O\n0.853544 0.690213 0.054286 O\n0.059145 0.588453 0.422261 O\n0.146455 0.309787 0.945714 O\n0.308660 0.057576 0.988523 O\n0.808660 0.442424 0.988523 O\n0.308660 0.442424 0.511476 O\n0.646455 0.309787 0.554286 O\n0.559145 0.911546 0.422261 O\n0.146455 0.190213 0.554286 O\n0.440855 0.411546 0.922261 O\n0.353544 0.809786 0.054286 O\n0.191340 0.557575 0.011477 O\n0.440855 0.088454 0.577739 O\n0.191340 0.942424 0.488523 O\n0.691340 0.557575 0.488523 O\n0.646455 0.190213 0.945714 O\n0.353544 0.690213 0.445714 O\n0.853544 0.809786 0.445714 O\n0.691340 0.942424 0.011477 O\n0.940854 0.088454 0.922261 O\n",
"nsites": 64,
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"elements": [
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"Te",
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"O"
],
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"density": 4.711962016803473,
"density_atomic": 0.04869090627345415,
"volume": 1314.4138176555616,
"volume_molar": 12.368101604391821,
"formula_full": "Zn16 Te8 Br16 O24",
"formula_reduced": "Zn2TeBr2O3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.5524096595833333,
"spacegroup": 56
},
{
"id": "jvasp-18991",
"created_at": "2022-09-04T14:36:35.827512Z",
"updated_at": "2022-09-04T14:36:35.827553Z",
"structure_string": "Sb8 O12\n1.0\n4.946477 -0.000000 0.000000\n-0.000000 5.460648 0.000000\n0.000000 0.000000 12.487174\nSb O\n8 12\ndirect\n0.961640 0.177439 0.872764 Sb\n0.461640 0.322561 0.127236 Sb\n0.538361 0.177439 0.627236 Sb\n0.038360 0.322561 0.372764 Sb\n0.038360 0.822561 0.127236 Sb\n0.538361 0.677439 0.872764 Sb\n0.461640 0.822561 0.372764 Sb\n0.961640 0.677439 0.627236 Sb\n0.644558 0.348824 0.942131 O\n0.144558 0.151177 0.057868 O\n0.144558 0.651177 0.442132 O\n0.644558 0.848824 0.557868 O\n0.355443 0.651177 0.057868 O\n0.250000 0.489782 0.250000 O\n0.750000 0.510218 0.750000 O\n0.250000 0.989783 0.250000 O\n0.355443 0.151177 0.442132 O\n0.750000 0.010218 0.750000 O\n0.855443 0.848824 0.942131 O\n0.855443 0.348824 0.557868 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.740773639370702,
"density_atomic": 0.05929603527247203,
"volume": 337.290679015852,
"volume_molar": 10.156059730347193,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.93636054,
"spacegroup": 56
},
{
"id": "jvasp-14096",
"created_at": "2022-09-04T14:37:03.655427Z",
"updated_at": "2022-09-04T14:37:03.655447Z",
"structure_string": "Sb8 O12\n1.0\n4.946369 0.000000 0.000000\n-0.000000 5.460806 0.000000\n0.000000 0.000000 12.487156\nSb O\n8 12\ndirect\n0.961639 0.177440 0.872767 Sb\n0.461639 0.322560 0.127234 Sb\n0.538361 0.177440 0.627234 Sb\n0.038361 0.322560 0.372766 Sb\n0.038361 0.822560 0.127234 Sb\n0.538361 0.677441 0.872767 Sb\n0.461639 0.822560 0.372766 Sb\n0.961639 0.677441 0.627234 Sb\n0.644561 0.348836 0.942133 O\n0.144561 0.151165 0.057868 O\n0.144561 0.651165 0.442132 O\n0.644561 0.848836 0.557868 O\n0.355439 0.651165 0.057868 O\n0.250000 0.489755 0.250000 O\n0.750000 0.510246 0.750000 O\n0.250000 0.989755 0.250000 O\n0.355439 0.151165 0.442132 O\n0.750000 0.010245 0.750000 O\n0.855439 0.848836 0.942133 O\n0.855439 0.348836 0.557868 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.740741155658558,
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"volume": 337.2925875591967,
"volume_molar": 10.156117197930538,
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"spacegroup": 56
},
{
"id": "jvasp-34702",
"created_at": "2022-09-04T14:38:14.701297Z",
"updated_at": "2022-09-04T14:38:14.701325Z",
"structure_string": "Si8 O16\n1.0\n4.753683 0.000000 0.000000\n0.000000 8.133819 0.000000\n0.000000 0.000000 8.651944\nSi O\n8 16\ndirect\n0.140782 0.062877 0.159251 Si\n0.140782 0.437123 0.659251 Si\n0.640782 0.562877 0.840748 Si\n0.359218 0.437123 0.159251 Si\n0.859217 0.562877 0.340748 Si\n0.859217 0.937124 0.840748 Si\n0.640782 0.937124 0.340748 Si\n0.359218 0.062877 0.659251 Si\n0.094255 0.943453 0.702681 O\n0.250000 0.250000 0.139383 O\n0.500000 0.500000 0.000000 O\n0.905744 0.443453 0.797318 O\n0.749999 0.750000 0.860617 O\n0.749999 0.750000 0.360617 O\n0.000000 0.500000 0.500000 O\n0.250000 0.250000 0.639383 O\n0.405744 0.943453 0.202681 O\n0.094255 0.556547 0.202681 O\n0.000000 0.000000 0.000000 O\n0.405744 0.556547 0.702681 O\n0.594255 0.443453 0.297318 O\n0.594255 0.056547 0.797318 O\n0.905744 0.056547 0.297318 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 2.3859518179348274,
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"volume": 334.5325808822839,
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"formula_full": "Si8 O16",
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"spacegroup": 56
},
{
"id": "jvasp-98161",
"created_at": "2022-09-04T14:35:41.742684Z",
"updated_at": "2022-09-04T14:35:41.742711Z",
"structure_string": "V4 H16 N4 O12\n1.0\n4.809879 0.000000 -0.000000\n0.000000 11.827434 0.000000\n0.000000 0.000000 5.826388\nV H N O\n4 16 4 12\ndirect\n0.456667 0.326632 0.750000 V\n0.543333 0.673367 0.250000 V\n0.456667 0.173367 0.250000 V\n0.543333 0.826632 0.750000 V\n0.945205 0.362640 0.393049 H\n0.054796 0.637359 0.893049 H\n0.054796 0.862640 0.106952 H\n0.054796 0.637359 0.606952 H\n0.945205 0.362640 0.106952 H\n0.054796 0.862640 0.393049 H\n0.945205 0.137360 0.893049 H\n0.945205 0.137360 0.606952 H\n0.112362 0.468153 0.250000 H\n0.887638 0.968153 0.250000 H\n0.112362 0.031847 0.750000 H\n0.247725 0.540492 0.750000 H\n0.752275 0.459508 0.250000 H\n0.887638 0.531847 0.750000 H\n0.247725 0.959507 0.250000 H\n0.752275 0.040492 0.750000 H\n0.939628 0.413963 0.250000 N\n0.060372 0.586037 0.750000 N\n0.939628 0.086037 0.750000 N\n0.060372 0.913963 0.250000 N\n0.424256 0.750000 0.500000 O\n0.112075 0.329446 0.750000 O\n0.887925 0.670554 0.250000 O\n0.112075 0.170554 0.250000 O\n0.887925 0.829446 0.750000 O\n0.566848 0.461494 0.750000 O\n0.433152 0.538506 0.250000 O\n0.566848 0.038506 0.250000 O\n0.433152 0.961493 0.750000 O\n0.575744 0.250000 0.500000 O\n0.424256 0.750000 0.000000 O\n0.575744 0.250000 0.000000 O\n",
"nsites": 36,
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"elements": [
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],
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"density": 2.344173692575915,
"density_atomic": 0.10861215078706725,
"volume": 331.45462767400255,
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"formula_full": "V4 H16 N4 O12",
"formula_reduced": "VH4NO3",
"formula_anonymous": "ABC3D4",
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{
"id": "jvasp-62191",
"created_at": "2022-09-04T14:35:42.956064Z",
"updated_at": "2022-09-04T14:35:42.956099Z",
"structure_string": "Cu4 As16 S12 Cl4\n1.0\n7.240151 -0.000000 0.000000\n0.000000 10.915253 0.000000\n0.000000 0.000000 11.090309\nCu As S Cl\n4 16 12 4\ndirect\n0.500000 0.301246 0.750000 Cu\n0.000000 0.698754 0.250000 Cu\n0.500000 0.698754 0.250000 Cu\n0.000000 0.301246 0.750000 Cu\n0.750000 0.250569 0.220523 As\n0.250000 0.749431 0.779477 As\n0.250000 0.250569 0.279477 As\n0.424646 0.637453 0.943177 As\n0.924646 0.362547 0.056823 As\n0.075354 0.362547 0.443177 As\n0.575354 0.637453 0.556823 As\n0.750000 0.749431 0.720523 As\n0.075354 0.637453 0.943177 As\n0.924646 0.637453 0.556823 As\n0.424646 0.362547 0.443177 As\n0.750000 0.064716 0.944760 As\n0.250000 0.935283 0.055240 As\n0.750000 0.935283 0.444760 As\n0.250000 0.064716 0.555240 As\n0.575354 0.362547 0.056823 As\n0.492098 0.796649 0.070539 S\n0.992098 0.203351 0.929461 S\n0.007902 0.203351 0.570539 S\n0.507902 0.796649 0.429461 S\n0.507902 0.203351 0.929461 S\n0.007902 0.796649 0.070539 S\n0.750000 0.055293 0.149739 S\n0.492098 0.203351 0.570539 S\n0.250000 0.944707 0.850262 S\n0.750000 0.944707 0.649739 S\n0.250000 0.055293 0.350261 S\n0.992098 0.796649 0.429461 S\n0.750000 0.554668 0.236733 Cl\n0.750000 0.445332 0.736733 Cl\n0.250000 0.554668 0.263267 Cl\n0.250000 0.445332 0.763267 Cl\n",
"nsites": 36,
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"elements": [
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"Cl"
],
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"density": 3.7504576465228223,
"density_atomic": 0.04107498596150814,
"volume": 876.4458260250175,
"volume_molar": 14.661333702325352,
"formula_full": "Cu4 As16 S12 Cl4",
"formula_reduced": "CuAs4S3Cl",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.897545724166667,
"spacegroup": 57
},
{
"id": "jvasp-32197",
"created_at": "2022-09-04T14:35:42.966709Z",
"updated_at": "2022-09-04T14:35:42.966739Z",
"structure_string": "Hg4 H4 Cl4 O16\n1.0\n4.726908 -0.000000 0.000000\n-0.000000 7.232356 0.000000\n0.000000 0.000000 11.391839\nHg H Cl O\n4 4 4 16\ndirect\n0.435811 0.000000 0.750000 Hg\n0.564189 0.000000 0.250000 Hg\n0.435811 0.500000 0.750000 Hg\n0.564189 0.500000 0.250000 Hg\n0.455497 0.750000 0.412721 H\n0.455497 0.250000 0.087279 H\n0.544504 0.250000 0.587279 H\n0.544504 0.750000 0.912721 H\n0.002370 0.750000 0.557079 Cl\n0.002370 0.250000 0.942921 Cl\n0.997631 0.250000 0.442921 Cl\n0.997631 0.750000 0.057079 Cl\n0.419978 0.250000 0.658989 O\n0.068930 0.582300 0.128598 O\n0.068930 0.417700 0.371402 O\n0.931070 0.082300 0.871402 O\n0.931070 0.917700 0.628598 O\n0.674055 0.750000 0.049029 O\n0.674055 0.250000 0.450971 O\n0.325945 0.750000 0.549029 O\n0.068930 0.082300 0.371402 O\n0.068930 0.917700 0.128598 O\n0.931070 0.582300 0.628598 O\n0.931070 0.417700 0.871402 O\n0.580022 0.750000 0.341011 O\n0.580022 0.250000 0.158989 O\n0.419978 0.750000 0.841012 O\n0.325945 0.250000 0.950971 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.134460659046946,
"density_atomic": 0.07189641703063553,
"volume": 389.4491708546341,
"volume_molar": 8.3761347348282,
"formula_full": "Hg4 H4 Cl4 O16",
"formula_reduced": "HgHClO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 57
},
{
"id": "jvasp-62733",
"created_at": "2022-09-04T14:35:45.454643Z",
"updated_at": "2022-09-04T14:35:45.454653Z",
"structure_string": "B4 Pb12 O16 F4\n1.0\n6.501188 0.000000 0.000000\n-0.000000 7.683158 0.000000\n0.000000 0.000000 12.110200\nB Pb O F\n4 12 16 4\ndirect\n0.250000 0.978322 0.500000 B\n0.750000 0.021678 0.000000 B\n0.750000 0.021678 0.500000 B\n0.250000 0.978322 0.000000 B\n0.450762 0.891647 0.750000 Pb\n0.549238 0.108353 0.250000 Pb\n0.950763 0.108353 0.750000 Pb\n0.049238 0.891647 0.250000 Pb\n0.470564 0.333071 0.895031 Pb\n0.529436 0.666929 0.395031 Pb\n0.970565 0.666929 0.604969 Pb\n0.470564 0.333071 0.604969 Pb\n0.529436 0.666929 0.104969 Pb\n0.970565 0.666929 0.895031 Pb\n0.029436 0.333071 0.395031 Pb\n0.029436 0.333071 0.104969 Pb\n0.203405 0.067813 0.096361 O\n0.750000 0.202666 0.000000 O\n0.250000 0.797334 0.500000 O\n0.250000 0.797334 0.000000 O\n0.750000 0.202666 0.500000 O\n0.703405 0.932187 0.403639 O\n0.296595 0.067813 0.903639 O\n0.796595 0.932187 0.596361 O\n0.090068 0.806360 0.750000 O\n0.703405 0.932187 0.096361 O\n0.796595 0.932187 0.903639 O\n0.203405 0.067813 0.403639 O\n0.590068 0.193640 0.750000 O\n0.409932 0.806360 0.250000 O\n0.909932 0.193640 0.250000 O\n0.296595 0.067813 0.596361 O\n0.804906 0.578113 0.250000 F\n0.304906 0.421887 0.250000 F\n0.695094 0.578113 0.750000 F\n0.195094 0.421887 0.750000 F\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "B-F-O-Pb",
"density": 7.855583893834854,
"density_atomic": 0.05951393904290164,
"volume": 604.9003070364538,
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"formula_full": "B4 Pb12 O16 F4",
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"formula_anonymous": "ABC3D4",
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},
{
"id": "jvasp-98983",
"created_at": "2022-09-04T14:35:51.190264Z",
"updated_at": "2022-09-04T14:35:51.190290Z",
"structure_string": "Tb8 Si4 Se4 O16\n1.0\n6.061404 0.000000 0.000000\n0.000000 6.982388 0.000000\n0.000000 0.000000 10.848455\nTb Si Se O\n8 4 4 16\ndirect\n0.131841 0.028470 0.250000 Tb\n0.868159 0.528470 0.250000 Tb\n0.868159 0.971530 0.750000 Tb\n0.607384 0.250000 0.000000 Tb\n0.607384 0.250000 0.500000 Tb\n0.392616 0.750000 0.000000 Tb\n0.392616 0.750000 0.500000 Tb\n0.131841 0.471530 0.750000 Tb\n0.111873 0.250000 0.500000 Si\n0.888127 0.750000 0.500000 Si\n0.888127 0.750000 0.000000 Si\n0.111873 0.250000 0.000000 Si\n0.422628 0.377035 0.250000 Se\n0.422628 0.122965 0.750000 Se\n0.577371 0.877036 0.250000 Se\n0.577371 0.622965 0.750000 Se\n0.275195 0.068829 0.467799 O\n0.945268 0.259463 0.379383 O\n0.945268 0.240537 0.620618 O\n0.945268 0.240537 0.879383 O\n0.945268 0.259463 0.120617 O\n0.054732 0.759463 0.120617 O\n0.054732 0.759463 0.379383 O\n0.275195 0.068829 0.032201 O\n0.275195 0.431171 0.967799 O\n0.724804 0.568830 0.467799 O\n0.724804 0.931171 0.532201 O\n0.724804 0.931171 0.967799 O\n0.724804 0.568830 0.032201 O\n0.275195 0.431171 0.532201 O\n0.054732 0.740537 0.879383 O\n0.054732 0.740537 0.620618 O\n",
"nsites": 32,
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"elements": [
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"O"
],
"chemical_system": "O-Se-Si-Tb",
"density": 7.072590563313916,
"density_atomic": 0.06969552229926913,
"volume": 459.13996974717514,
"volume_molar": 8.640642269873844,
"formula_full": "Tb8 Si4 Se4 O16",
"formula_reduced": "Tb2SiSeO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 57
},
{
"id": "jvasp-97339",
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