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{
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{
"id": "jvasp-108909",
"created_at": "2022-09-04T14:38:10.765831Z",
"updated_at": "2022-09-04T14:38:10.765849Z",
"structure_string": "Tb4 Cd2 Cu4\n1.0\n7.538362 0.000000 0.000000\n0.000000 7.538362 0.000000\n-0.000000 -0.000000 3.692062\nTb Cd Cu\n4 2 4\ndirect\n0.674142 0.174142 0.500000 Tb\n0.325857 0.825857 0.500000 Tb\n0.174142 0.325857 0.500000 Tb\n0.825857 0.674142 0.500000 Tb\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.120123 0.620123 -0.000000 Cu\n0.879877 0.379877 -0.000000 Cu\n0.620123 0.879877 -0.000000 Cu\n0.379877 0.120123 -0.000000 Cu\n",
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{
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"structure_string": "Ti1 Zn1 F6\n1.0\n4.529659 0.096697 2.976198\n1.655128 4.217548 2.976198\n0.138622 0.096697 5.418150\nTi Zn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500001 0.500000 Zn\n0.628281 0.893367 0.238989 F\n0.893365 0.238990 0.628281 F\n0.761011 0.371720 0.106634 F\n0.106634 0.761012 0.371719 F\n0.371718 0.106635 0.761011 F\n0.238988 0.628282 0.893366 F\n",
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{
"id": "jvasp-12540",
"created_at": "2022-09-04T14:38:06.331126Z",
"updated_at": "2022-09-04T14:38:06.331153Z",
"structure_string": "K4 Zn2 Br8\n1.0\n0.000000 7.252918 -0.034134\n7.440578 0.000000 0.000000\n0.000000 -2.843582 -8.427289\nK Zn Br\n4 2 8\ndirect\n0.233226 0.773507 0.430980 K\n0.766775 0.273507 0.569020 K\n0.282367 0.770985 0.947504 K\n0.717634 0.270985 0.052495 K\n0.719601 0.738550 0.797877 Zn\n0.280399 0.238550 0.202123 Zn\n0.903650 0.708808 0.077327 Br\n0.096350 0.208808 0.922673 Br\n0.917207 0.716393 0.623700 Br\n0.082794 0.216393 0.376300 Br\n0.519771 0.007397 0.744998 Br\n0.480230 0.507397 0.255001 Br\n0.474830 0.499552 0.731707 Br\n0.525170 0.999552 0.268293 Br\n",
"nsites": 14,
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"volume": 455.50845674060605,
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"formula_full": "K4 Zn2 Br8",
"formula_reduced": "K2ZnBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 4
},
{
"id": "jvasp-38029",
"created_at": "2022-09-04T14:38:10.967204Z",
"updated_at": "2022-09-04T14:38:10.967226Z",
"structure_string": "Sn2 Cl2 F2\n1.0\n4.031116 0.000000 0.000000\n0.000000 4.031116 0.000000\n0.000000 0.000000 7.301208\nSn Cl F\n2 2 2\ndirect\n0.500000 0.000000 0.796302 Sn\n0.000000 0.500000 0.203698 Sn\n0.000000 0.500000 0.650599 Cl\n0.500000 0.000000 0.349402 Cl\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
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"formula_full": "Sn2 Cl2 F2",
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"spacegroup": 129
},
{
"id": "jvasp-22901",
"created_at": "2022-09-04T14:38:27.981174Z",
"updated_at": "2022-09-04T14:38:27.981192Z",
"structure_string": "Sm4 Sn4 F28\n1.0\n0.000000 9.069708 0.016191\n5.624359 0.000000 0.000000\n0.000000 -5.697588 -10.866945\nSm Sn F\n4 4 28\ndirect\n0.812322 0.759422 0.735220 Sm\n0.187679 0.259422 0.764781 Sm\n0.187679 0.240578 0.264781 Sm\n0.812322 0.740578 0.235220 Sm\n0.728165 0.243706 0.457662 Sn\n0.271835 0.743706 0.042338 Sn\n0.271835 0.756294 0.542339 Sn\n0.728165 0.256294 0.957662 Sn\n0.023663 0.757902 0.447199 F\n0.742787 0.054393 0.324923 F\n0.257213 0.554393 0.175078 F\n0.257214 0.945607 0.675078 F\n0.742787 0.445607 0.824923 F\n0.276022 0.466583 0.637586 F\n0.723978 0.533417 0.362414 F\n0.723978 0.966584 0.862414 F\n0.976337 0.257902 0.052801 F\n0.963492 0.098493 0.769256 F\n0.036508 0.598493 0.730744 F\n0.276022 0.033417 0.137586 F\n0.976337 0.242098 0.552801 F\n0.480961 0.220010 0.363070 F\n0.519040 0.779990 0.636930 F\n0.480961 0.279990 0.863070 F\n0.036508 0.901508 0.230744 F\n0.519040 0.720011 0.136930 F\n0.709017 0.442140 0.585201 F\n0.290984 0.942140 0.914800 F\n0.290984 0.557861 0.414800 F\n0.709017 0.057860 0.085200 F\n0.725734 0.559933 0.042596 F\n0.274266 0.059933 0.457404 F\n0.274266 0.440067 0.957404 F\n0.725734 0.940067 0.542596 F\n0.023663 0.742098 0.947199 F\n0.963492 0.401507 0.269256 F\n",
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{
"id": "jvasp-109237",
"created_at": "2022-09-04T14:38:27.961464Z",
"updated_at": "2022-09-04T14:38:27.961486Z",
"structure_string": "K2 As1 Au1 F6\n1.0\n5.466557 -0.000000 3.156118\n1.822186 5.153920 3.156118\n-0.000000 -0.000000 6.312237\nK As Au F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 As\n0.500001 0.500000 0.500000 Au\n0.770815 0.229185 0.229185 F\n0.229185 0.229185 0.770815 F\n0.229186 0.770815 0.770815 F\n0.229186 0.770815 0.229185 F\n0.770815 0.229185 0.770815 F\n0.770816 0.770815 0.229185 F\n",
"nsites": 10,
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"volume": 177.84221161090974,
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"formula_full": "K2 As1 Au1 F6",
"formula_reduced": "K2AsAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-24314",
"created_at": "2022-09-04T14:38:27.951542Z",
"updated_at": "2022-09-04T14:38:27.951558Z",
"structure_string": "Ni1 Pb1 F6\n1.0\n4.635736 0.061528 3.239211\n1.721003 4.304878 3.239211\n0.089574 0.061528 5.654601\nNi Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.499999 0.500001 0.500000 Pb\n0.383581 0.014155 0.820370 F\n0.014153 0.820371 0.383582 F\n0.179628 0.616419 0.985847 F\n0.985847 0.179630 0.616417 F\n0.616417 0.985848 0.179629 F\n0.820371 0.383583 0.014154 F\n",
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"density_atomic": 0.07244151901886998,
"volume": 110.43390735520212,
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"formula_full": "Ni1 Pb1 F6",
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"formula_anonymous": "ABC6",
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},
{
"id": "jvasp-20608",
"created_at": "2022-09-04T14:38:10.997548Z",
"updated_at": "2022-09-04T14:38:10.997557Z",
"structure_string": "Yb2 Ga4\n1.0\n2.209712 -3.827334 0.000000\n2.209712 3.827334 0.000000\n-0.000000 -0.000000 7.116775\nYb Ga\n2 4\ndirect\n0.000000 0.000000 0.250000 Yb\n0.000000 0.000000 0.750000 Yb\n0.333333 0.666666 0.953224 Ga\n0.666666 0.333333 0.453224 Ga\n0.333333 0.666666 0.546775 Ga\n0.666666 0.333333 0.046775 Ga\n",
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"formula_full": "Yb2 Ga4",
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},
{
"id": "jvasp-12746",
"created_at": "2022-09-04T14:38:29.315956Z",
"updated_at": "2022-09-04T14:38:29.315966Z",
"structure_string": "Rb2 Au2 Br6\n1.0\n6.621581 0.000000 3.125332\n2.543474 6.052507 3.188364\n0.098294 0.123278 8.368921\nRb Au Br\n2 2 6\ndirect\n0.268870 0.231240 0.231019 Rb\n0.731129 0.768761 0.768981 Rb\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 0.500000 Au\n0.203666 0.257147 0.816244 Br\n0.277056 0.742854 0.183756 Br\n0.796332 0.742854 0.183756 Br\n0.722942 0.257147 0.816243 Br\n0.722247 0.198534 0.356969 Br\n0.277751 0.801467 0.643030 Br\n",
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{
"id": "jvasp-37274",
"created_at": "2022-09-04T14:38:06.583133Z",
"updated_at": "2022-09-04T14:38:06.583156Z",
"structure_string": "Si2 Hg6\n1.0\n3.798450 -6.579107 0.000000\n3.798450 6.579107 -0.000000\n-0.000000 0.000000 3.958881\nSi Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n0.644525 0.822263 0.750000 Hg\n0.177737 0.355475 0.750000 Hg\n0.177737 0.822263 0.750000 Hg\n0.355475 0.177737 0.250000 Hg\n0.822263 0.644525 0.250000 Hg\n0.822263 0.177737 0.250000 Hg\n",
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{
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"created_at": "2022-09-04T14:38:06.494318Z",
"updated_at": "2022-09-04T14:38:06.494340Z",
"structure_string": "Na2 Er2 F8\n1.0\n6.232691 -0.000334 4.407298\n3.159544 3.815788 8.753221\n0.043199 -0.000488 6.549860\nNa Er F\n2 2 8\ndirect\n0.000014 0.999987 0.000018 Na\n0.749986 0.500015 0.999980 Na\n0.499995 0.000002 -0.000005 Er\n0.250003 0.499999 0.000005 Er\n0.143820 0.981169 0.268831 F\n0.606194 0.018814 0.231165 F\n0.374995 0.018819 0.731182 F\n0.375007 0.481173 0.268826 F\n0.143805 0.481192 0.768827 F\n0.874992 0.981196 0.768813 F\n0.875007 0.518803 0.231191 F\n0.606174 0.518839 0.731165 F\n",
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{
"id": "jvasp-109504",
"created_at": "2022-09-04T14:38:28.090583Z",
"updated_at": "2022-09-04T14:38:28.090609Z",
"structure_string": "Ca2 Ga1 Hg1\n1.0\n4.541788 -0.000000 2.622203\n1.513929 4.282039 2.622203\n-0.000000 -0.000000 5.244405\nCa Ga Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Hg\n",
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}
]
}