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{
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{
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{
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{
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"structure_string": "Tm2 Ga2 O6\n1.0\n1.747239 -3.026307 0.000000\n1.747239 3.026307 0.000000\n0.000000 0.000000 11.703904\nTm Ga O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.086031 O\n0.000000 0.000000 0.250000 O\n0.333333 0.666667 0.413969 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.913969 O\n0.666667 0.333333 0.586031 O\n",
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{
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{
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{
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"structure_string": "Ba6 Nd2 Ir4 O18\n1.0\n5.184258 3.002071 0.000000\n-5.184258 3.002071 0.000000\n0.000000 0.421081 15.045625\nBa Nd Ir O\n6 2 4 18\ndirect\n0.996719 0.003281 0.750000 Ba\n0.003281 0.996719 0.250000 Ba\n0.327783 0.659054 0.599500 Ba\n0.672217 0.340946 0.400500 Ba\n0.340946 0.672217 0.900500 Ba\n0.659054 0.327783 0.099500 Ba\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.652606 0.319430 0.666267 Ir\n0.347394 0.680570 0.333733 Ir\n0.680570 0.347394 0.833733 Ir\n0.319430 0.652606 0.166267 Ir\n0.795918 0.147821 0.592706 O\n0.204082 0.852179 0.407294 O\n0.852179 0.204082 0.907294 O\n0.147821 0.795918 0.092706 O\n0.329098 0.148218 0.599820 O\n0.670902 0.851782 0.400180 O\n0.851782 0.670902 0.900180 O\n0.148218 0.329098 0.099820 O\n0.508323 0.491677 0.750000 O\n0.491677 0.508323 0.250000 O\n0.390031 0.205808 0.921057 O\n0.609969 0.794192 0.078943 O\n0.794192 0.609969 0.578943 O\n0.205808 0.390031 0.421057 O\n0.507726 0.020700 0.759268 O\n0.492274 0.979300 0.240732 O\n0.979300 0.492274 0.740732 O\n0.020700 0.507726 0.259268 O\n",
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],
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"density_atomic": 0.06405801253618369,
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"volume_molar": 9.401073373293222,
"formula_full": "Ba6 Nd2 Ir4 O18",
"formula_reduced": "Ba3NdIr2O9",
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"updated_at": "2021-11-28T01:36:49.260000Z",
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},
{
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"created_at": "2022-09-04T14:42:07.169840Z",
"structure_string": "Ho10 Si4 B16\n1.0\n7.204646 0.000000 0.000000\n0.000000 7.204646 0.000000\n0.000000 0.000000 8.046298\nHo Si B\n10 4 16\ndirect\n0.680506 0.180506 0.224050 Ho\n0.319494 0.819494 0.775950 Ho\n0.319494 0.819494 0.224050 Ho\n0.819494 0.680506 0.224050 Ho\n0.819494 0.680506 0.775950 Ho\n0.680506 0.180506 0.775950 Ho\n0.180506 0.319494 0.775950 Ho\n0.180506 0.319494 0.224050 Ho\n0.000000 0.000000 0.500000 Ho\n0.500000 0.500000 0.500000 Ho\n0.115326 0.615326 0.500000 Si\n0.884674 0.384674 0.500000 Si\n0.384674 0.115326 0.500000 Si\n0.615326 0.884674 0.500000 Si\n0.172574 0.039203 0.000000 B\n0.827426 0.960797 0.000000 B\n0.960797 0.172574 0.000000 B\n0.327426 0.539203 0.000000 B\n0.039203 0.827426 0.000000 B\n0.672574 0.460797 0.000000 B\n0.539203 0.672574 0.000000 B\n0.460797 0.327426 0.000000 B\n0.089871 0.589871 0.000000 B\n0.910129 0.410129 0.000000 B\n0.410129 0.089871 0.000000 B\n0.589871 0.910129 0.000000 B\n0.000000 0.000000 0.163443 B\n0.000000 0.000000 0.836557 B\n0.500000 0.500000 0.836557 B\n0.500000 0.500000 0.163443 B\n",
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"elements": [
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],
"chemical_system": "B-Ho-Si",
"density": 7.691722966789165,
"density_atomic": 0.07182900467895717,
"volume": 417.6585786492002,
"volume_molar": 8.383995834156714,
"formula_full": "Ho10 Si4 B16",
"formula_reduced": "Ho5(SiB4)2",
"formula_anonymous": "A2B5C8",
"energy": -194.77831023,
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"updated_at": "2021-11-28T01:35:32.327000Z",
"spacegroup": 127
},
{
"id": "mp-1215297",
"created_at": "2022-09-04T14:42:23.362949Z",
"structure_string": "Zr1 Ti1 Pb2 O6\n1.0\n5.100144 -2.898504 0.000000\n5.100144 2.898504 0.000000\n3.452872 0.000000 4.742412\nZr Ti Pb O\n1 1 2 6\ndirect\n0.012899 0.012899 0.012899 Zr\n0.513239 0.513239 0.513239 Ti\n0.781034 0.781034 0.781034 Pb\n0.284014 0.284014 0.284014 Pb\n0.742792 0.742792 0.244447 O\n0.258808 0.258808 0.728946 O\n0.244447 0.742792 0.742792 O\n0.728946 0.258808 0.258808 O\n0.742792 0.244447 0.742792 O\n0.258808 0.728946 0.258808 O\n",
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],
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"density_atomic": 0.07132050030684145,
"volume": 140.2121403660533,
"volume_molar": 8.443772455452509,
"formula_full": "Zr1 Ti1 Pb2 O6",
"formula_reduced": "ZrTi(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy": -81.25771713999998,
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"total_magnetization": 2.72e-05,
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"updated_at": "2021-11-28T01:35:48.930000Z",
"spacegroup": 160
}
]
}