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{
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{
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{
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{
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{
"id": "mp-1223511",
"created_at": "2022-09-04T14:47:16.904435Z",
"structure_string": "La1 Gd1 Cu4 Sn4\n1.0\n4.489683 0.000000 0.000000\n0.000000 4.489683 0.000000\n0.000000 0.000000 10.637712\nLa Gd Cu Sn\n1 1 4 4\ndirect\n0.000000 0.000000 0.761317 La\n0.500000 0.500000 0.236746 Gd\n0.500000 0.500000 0.634891 Cu\n0.000000 0.000000 0.365264 Cu\n0.500000 0.000000 0.001499 Cu\n0.000000 0.500000 0.001499 Cu\n0.500000 0.500000 0.874374 Sn\n0.000000 0.000000 0.128076 Sn\n0.500000 0.000000 0.498152 Sn\n0.000000 0.500000 0.498152 Sn\n",
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{
"id": "mp-1180718",
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"structure_string": "K2 Sn4 P6 O24\n1.0\n8.348869 -4.241458 0.000000\n8.348869 4.241458 0.000000\n6.194090 0.000000 7.023306\nK Sn P O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.153877 0.153877 0.153877 Sn\n0.846123 0.846123 0.846123 Sn\n0.351996 0.351996 0.351996 Sn\n0.648004 0.648004 0.648004 Sn\n0.039567 0.460558 0.751096 P\n0.460558 0.751096 0.039567 P\n0.751096 0.039567 0.460558 P\n0.960433 0.539442 0.248904 P\n0.539442 0.248904 0.960433 P\n0.248904 0.960433 0.539442 P\n0.026409 0.317088 0.956866 O\n0.317088 0.956866 0.026409 O\n0.956866 0.026409 0.317088 O\n0.973591 0.682912 0.043134 O\n0.682912 0.043134 0.973591 O\n0.043134 0.973591 0.682912 O\n0.027193 0.651062 0.715209 O\n0.651062 0.715209 0.027193 O\n0.715209 0.027193 0.651062 O\n0.972807 0.348938 0.284791 O\n0.348938 0.284791 0.972807 O\n0.284791 0.972807 0.348938 O\n0.881372 0.481482 0.722379 O\n0.481482 0.722379 0.881372 O\n0.722379 0.881372 0.481481 O\n0.118628 0.518519 0.277621 O\n0.518519 0.277621 0.118628 O\n0.277621 0.118628 0.518518 O\n0.234946 0.378240 0.608353 O\n0.378240 0.608353 0.234946 O\n0.608353 0.234946 0.378240 O\n0.765054 0.621760 0.391647 O\n0.621760 0.391647 0.765054 O\n0.391647 0.765054 0.621760 O\n",
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{
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{
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{
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{
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},
{
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"created_at": "2022-09-04T14:47:16.958402Z",
"structure_string": "Ca1 Fe4 P4 O16\n1.0\n9.261515 -0.292776 -0.063436\n-0.333738 8.948178 0.142329\n-2.105941 0.150953 5.030705\nCa Fe P O\n1 4 4 16\ndirect\n0.004798 0.997203 0.512301 Ca\n0.206937 0.472818 0.439270 Fe\n0.318541 0.979579 0.117873 Fe\n0.683480 0.991035 0.909816 Fe\n0.776124 0.511849 0.592139 Fe\n0.150765 0.656906 0.869127 P\n0.326027 0.147573 0.587878 P\n0.683797 0.838826 0.396905 P\n0.833864 0.325234 0.167756 P\n0.977444 0.606208 0.711938 O\n0.245349 0.132531 0.790248 O\n0.165649 0.829272 0.840223 O\n0.211431 0.057073 0.339475 O\n0.253900 0.581912 0.751137 O\n0.205421 0.613503 0.168699 O\n0.341732 0.315093 0.502949 O\n0.487526 0.082818 0.687354 O\n0.530444 0.910536 0.215882 O\n0.646118 0.677043 0.483603 O\n0.777006 0.382836 0.875478 O\n0.730739 0.388917 0.297983 O\n0.779741 0.932215 0.648629 O\n0.824416 0.152704 0.179082 O\n0.789806 0.840820 0.232931 O\n0.007275 0.375496 0.331323 O\n",
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],
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"formula_full": "Ca1 Fe4 P4 O16",
"formula_reduced": "CaFe4(PO4)4",
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{
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"structure_string": "Yb1 Bi12 O20\n1.0\n-5.142057 5.142057 5.142057\n5.142057 -5.142057 5.142057\n5.142057 5.142057 -5.142057\nYb Bi O\n1 12 20\ndirect\n0.000000 0.000000 0.000000 Yb\n0.855343 0.173547 0.685147 Bi\n0.318204 0.144657 0.829804 Bi\n0.681796 0.511599 0.826453 Bi\n0.826453 0.681796 0.511599 Bi\n0.829804 0.318204 0.144657 Bi\n0.488401 0.170196 0.314853 Bi\n0.511599 0.826453 0.681796 Bi\n0.170196 0.314853 0.488401 Bi\n0.173547 0.685147 0.855343 Bi\n0.685147 0.855343 0.173547 Bi\n0.314853 0.488401 0.170196 Bi\n0.144657 0.829804 0.318204 Bi\n0.000000 0.326904 0.000000 O\n0.623637 0.248501 0.889159 O\n0.000000 0.740195 0.000000 O\n0.751499 0.375137 0.640659 O\n0.734478 0.110841 0.359341 O\n0.740195 0.000000 0.000000 O\n0.000000 0.000000 0.740195 O\n0.376363 0.265522 0.624863 O\n0.673096 0.673096 0.673096 O\n0.375137 0.640659 0.751499 O\n0.110841 0.359341 0.734478 O\n0.889159 0.623637 0.248501 O\n0.624863 0.376363 0.265522 O\n0.326904 0.000000 0.000000 O\n0.000000 0.000000 0.326904 O\n0.640659 0.751499 0.375137 O\n0.259805 0.259805 0.259805 O\n0.265522 0.624863 0.376363 O\n0.248501 0.889159 0.623637 O\n0.359341 0.734478 0.110841 O\n",
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"elements": [
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],
"chemical_system": "Bi-O-Yb",
"density": 9.162509874893818,
"density_atomic": 0.06067968100359255,
"volume": 543.8393784246531,
"volume_molar": 9.924476629406572,
"formula_full": "Yb1 Bi12 O20",
"formula_reduced": "Yb(Bi3O5)4",
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"energy_uncorrected": -188.85764104,
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"updated_at": "2021-11-28T01:38:00.898000Z",
"spacegroup": 197
}
]
}