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{
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{
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{
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"structure_string": "U1 Ga5 Rh1\n1.0\n4.330887 0.000000 0.000000\n0.000000 4.330887 0.000000\n0.000000 0.000000 6.785446\nU Ga Rh\n1 5 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.701879 Ga\n0.000000 0.500000 0.701879 Ga\n0.500000 0.000000 0.298121 Ga\n0.000000 0.500000 0.298121 Ga\n0.000000 0.000000 0.500000 Rh\n",
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{
"id": "mp-623837",
"created_at": "2022-09-04T14:42:12.133299Z",
"structure_string": "As2 C6 N6\n1.0\n3.503179 4.686243 0.000000\n-3.503179 4.686243 0.000000\n0.000000 1.785630 8.887269\nAs C N\n2 6 6\ndirect\n0.698787 0.706132 0.259802 As\n0.293868 0.301213 0.740198 As\n0.019181 0.762308 0.251768 C\n0.088403 0.345870 0.933295 C\n0.654130 0.911597 0.066705 C\n0.237692 0.980819 0.748232 C\n0.560024 0.987179 0.369662 C\n0.012821 0.439976 0.630338 C\n0.480107 0.142702 0.444600 N\n0.616733 0.018219 0.948989 N\n0.221009 0.785834 0.753869 N\n0.214166 0.778991 0.246131 N\n0.981781 0.383267 0.051011 N\n0.857298 0.519893 0.555400 N\n",
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{
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"created_at": "2022-09-04T14:42:07.568149Z",
"structure_string": "Hf1 Sb1 Rh1\n1.0\n0.000000 3.244530 3.244530\n3.244530 0.000000 3.244530\n3.244530 3.244530 0.000000\nHf Sb Rh\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Rh\n",
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{
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"structure_string": "I2 N10\n1.0\n5.350466 0.000000 0.000000\n0.000000 5.350466 0.000000\n0.000000 0.000000 4.697233\nI N\n2 10\ndirect\n0.500000 0.000000 0.178804 I\n0.000000 0.500000 0.821196 I\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n0.348713 0.650740 0.313300 N\n0.651287 0.349260 0.313300 N\n0.848713 0.150740 0.686700 N\n0.151287 0.849260 0.686700 N\n0.349260 0.348713 0.686700 N\n0.650740 0.651287 0.686700 N\n0.849260 0.848713 0.313300 N\n0.150740 0.151287 0.313300 N\n",
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{
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"structure_string": "Rb4 Te4 N4 O12 F16\n1.0\n8.474718 0.000000 0.000000\n-3.167117 -7.948629 0.000000\n-3.416674 1.094602 -10.079840\nRb Te N O F\n4 4 4 12 16\ndirect\n0.425447 0.434897 0.980020 Rb\n0.922646 0.688806 0.494622 Rb\n0.448475 0.956506 0.868099 Rb\n0.886827 0.166103 0.598060 Rb\n0.422898 0.252048 0.567697 Te\n0.439786 0.745703 0.273807 Te\n0.916601 0.875581 0.900938 Te\n0.909696 0.380002 0.195892 Te\n0.996335 0.058289 0.261368 N\n0.356425 0.066602 0.210968 N\n0.339965 0.558432 0.603127 N\n0.998170 0.557597 0.869229 N\n0.463254 0.574222 0.555073 O\n0.059168 0.710055 0.832308 O\n0.059457 0.955693 0.317408 O\n0.888011 0.530632 0.930331 O\n0.295716 0.171591 0.157264 O\n0.051868 0.450536 0.842063 O\n0.322722 0.928597 0.137547 O\n0.905674 0.040106 0.140528 O\n0.446943 0.081585 0.331632 O\n0.255001 0.407620 0.629505 O\n0.300204 0.678298 0.624763 O\n0.027504 0.196919 0.332656 O\n0.528940 0.315603 0.755076 F\n0.679151 0.383122 0.574029 F\n0.822471 0.562358 0.165470 F\n0.120941 0.049019 0.856628 F\n0.240562 0.576764 0.126646 F\n0.805689 0.341851 0.334207 F\n0.811378 0.828348 0.711864 F\n0.114411 0.551148 0.339759 F\n0.516351 0.073354 0.603826 F\n0.224762 0.076874 0.619207 F\n0.549676 0.787015 0.138878 F\n0.694628 0.888395 0.387391 F\n0.827736 0.057253 0.873591 F\n0.654237 0.234469 0.085804 F\n0.659815 0.737119 0.889829 F\n0.524762 0.561888 0.306592 F\n",
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{
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{
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{
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"structure_string": "Re1 H8 Br6 N2\n1.0\n0.000000 5.227018 5.227018\n5.227018 0.000000 5.227018\n5.227018 5.227018 0.000000\nRe H Br N\n1 8 6 2\ndirect\n0.000000 0.000000 0.000000 Re\n0.078676 0.307108 0.307108 H\n0.692892 0.692892 0.921324 H\n0.692892 0.692892 0.692892 H\n0.692892 0.921324 0.692892 H\n0.307108 0.078676 0.307108 H\n0.307108 0.307108 0.078676 H\n0.307108 0.307108 0.307108 H\n0.921324 0.692892 0.692892 H\n0.759005 0.759005 0.240995 Br\n0.240995 0.759005 0.759005 Br\n0.759005 0.240995 0.240995 Br\n0.759005 0.240995 0.759005 Br\n0.240995 0.759005 0.240995 Br\n0.240995 0.240995 0.759005 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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"updated_at": "2021-11-28T01:35:36.800000Z",
"spacegroup": 225
},
{
"id": "mp-1189631",
"created_at": "2022-09-04T14:42:07.591118Z",
"structure_string": "Ce2 In12 Ni6\n1.0\n4.411097 0.000000 0.000000\n0.000000 7.704921 0.000000\n0.000000 0.000000 11.870646\nCe In Ni\n2 12 6\ndirect\n0.750000 0.750000 0.675995 Ce\n0.250000 0.250000 0.324005 Ce\n0.250000 0.750000 0.251413 In\n0.750000 0.250000 0.748587 In\n0.750000 0.750000 0.987890 In\n0.250000 0.250000 0.012110 In\n0.750000 0.949940 0.415686 In\n0.750000 0.550060 0.415686 In\n0.250000 0.050060 0.584314 In\n0.250000 0.449940 0.584314 In\n0.750000 0.049573 0.164035 In\n0.750000 0.450427 0.164035 In\n0.250000 0.950427 0.835965 In\n0.250000 0.549573 0.835965 In\n0.750000 0.250000 0.529612 Ni\n0.250000 0.750000 0.470388 Ni\n0.750000 0.074424 0.934741 Ni\n0.750000 0.425576 0.934741 Ni\n0.250000 0.925576 0.065259 Ni\n0.250000 0.574424 0.065259 Ni\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Ce-In-Ni",
"density": 8.2737239901456,
"density_atomic": 0.049572502527861585,
"volume": 403.449472593385,
"volume_molar": 12.148147567525632,
"formula_full": "Ce2 In12 Ni6",
"formula_reduced": "Ce(In2Ni)3",
"formula_anonymous": "AB3C6",
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{
"id": "mp-28413",
"created_at": "2022-09-04T14:42:11.800420Z",
"structure_string": "Na8 Ga12 Sb12\n1.0\n4.353792 0.000000 0.000000\n0.000000 7.357793 0.000000\n0.000000 0.000000 27.266591\nNa Ga Sb\n8 12 12\ndirect\n0.250000 0.221133 0.496098 Na\n0.750000 0.778867 0.503902 Na\n0.750000 0.721133 0.003902 Na\n0.250000 0.278867 0.996098 Na\n0.250000 0.249471 0.816434 Na\n0.750000 0.750529 0.183566 Na\n0.750000 0.749471 0.683566 Na\n0.250000 0.250529 0.316434 Na\n0.250000 0.547539 0.618430 Ga\n0.750000 0.452461 0.381570 Ga\n0.750000 0.047539 0.881570 Ga\n0.250000 0.952461 0.118430 Ga\n0.250000 0.071590 0.207211 Ga\n0.750000 0.928410 0.792789 Ga\n0.750000 0.571590 0.292789 Ga\n0.250000 0.428410 0.707211 Ga\n0.750000 0.397024 0.122634 Ga\n0.250000 0.602976 0.877366 Ga\n0.250000 0.897024 0.377366 Ga\n0.750000 0.102976 0.622634 Ga\n0.750000 0.204836 0.719961 Sb\n0.250000 0.795164 0.280039 Sb\n0.250000 0.704836 0.780039 Sb\n0.750000 0.295164 0.219961 Sb\n0.250000 0.909456 0.593100 Sb\n0.750000 0.090544 0.406900 Sb\n0.750000 0.409456 0.906900 Sb\n0.250000 0.590544 0.093100 Sb\n0.750000 0.412772 0.571980 Sb\n0.250000 0.587228 0.428020 Sb\n0.250000 0.912772 0.928020 Sb\n0.750000 0.087228 0.071980 Sb\n",
"nsites": 32,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ga-Na-Sb",
"density": 4.717965587878608,
"density_atomic": 0.03663564921988143,
"volume": 873.4661642800708,
"volume_molar": 16.437925594974594,
"formula_full": "Na8 Ga12 Sb12",
"formula_reduced": "Na2(GaSb)3",
"formula_anonymous": "A2B3C3",
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"total_magnetization": 2.16e-05,
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"updated_at": "2021-11-28T01:35:43.797000Z",
"spacegroup": 62
}
]
}