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{
"id": "oqmd-1759096",
"created_at": "2022-09-04T16:03:15.064646Z",
"updated_at": "2022-09-04T16:03:15.064674Z",
"structure_string": "Sr4 Ho2 W2 O12\n1.0\n5.788374 0.000000 0.000000\n0.000000 5.831414 0.000000\n-5.749178 0.000000 8.197055\nHo O Sr W\n2 12 4 2\ndirect\n0.500000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Ho\n0.767211 0.299653 0.038265 O\n0.844011 0.771940 0.041047 O\n0.309919 0.482178 0.234890 O\n0.690081 0.982178 0.265110 O\n0.155989 0.271940 0.458953 O\n0.232789 0.799653 0.461735 O\n0.767211 0.200347 0.538265 O\n0.844011 0.728060 0.541047 O\n0.309919 0.017822 0.734890 O\n0.690081 0.517822 0.765110 O\n0.155989 0.228060 0.958953 O\n0.232789 0.700347 0.961735 O\n0.242264 0.034016 0.249494 Sr\n0.757736 0.534016 0.250506 Sr\n0.242264 0.465984 0.749494 Sr\n0.757736 0.965984 0.750506 Sr\n0.000000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n",
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{
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"updated_at": "2022-09-04T16:03:15.064373Z",
"structure_string": "Cd2 Ni2 Bi4 O12\n1.0\n5.499805 0.000000 0.000000\n0.000000 5.770664 0.000000\n-5.460628 0.000000 7.991097\nBi Cd Ni O\n4 2 2 12\ndirect\n0.225270 0.059877 0.244899 Bi\n0.774730 0.559877 0.255101 Bi\n0.225270 0.440123 0.744899 Bi\n0.774730 0.940123 0.755101 Bi\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.913060 0.808438 0.068206 O\n0.776472 0.328568 0.076228 O\n0.388108 0.424356 0.233450 O\n0.611892 0.924356 0.266550 O\n0.223528 0.828568 0.423772 O\n0.086940 0.308438 0.431794 O\n0.913060 0.691562 0.568206 O\n0.776472 0.171432 0.576228 O\n0.388108 0.075644 0.733450 O\n0.611892 0.575644 0.766550 O\n0.223528 0.671432 0.923772 O\n0.086940 0.191562 0.931794 O\n",
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"formula_full": "Cd2 Ni2 Bi4 O12",
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"spacegroup": 14
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{
"id": "oqmd-1668143",
"created_at": "2022-09-04T16:03:15.062123Z",
"updated_at": "2022-09-04T16:03:15.062260Z",
"structure_string": "Sr4 Cu2 Rh2 O12\n1.0\n5.419434 0.000000 0.000000\n0.005057 5.424546 0.000000\n0.041745 0.031917 8.148177\nCu O Rh Sr\n2 12 2 4\ndirect\n0.449985 0.449935 0.000000 Cu\n0.949972 0.950013 0.499995 Cu\n0.250532 0.149379 0.001617 O\n0.750049 0.250725 0.006883 O\n0.954544 0.939133 0.241214 O\n0.445760 0.460376 0.259082 O\n0.645226 0.145329 0.493704 O\n0.145380 0.255199 0.498606 O\n0.754782 0.644988 0.501392 O\n0.254786 0.754683 0.506301 O\n0.454298 0.439684 0.740904 O\n0.945425 0.960849 0.758774 O\n0.149820 0.649348 0.993113 O\n0.649006 0.750171 0.998382 O\n0.950780 0.950407 0.000000 Rh\n0.449691 0.449782 0.500004 Rh\n0.449366 0.949446 0.248839 Sr\n0.951011 0.450474 0.248970 Sr\n0.949113 0.449429 0.751027 Sr\n0.450473 0.950664 0.751160 Sr\n",
"nsites": 20,
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"elements": [
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],
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"density": 6.068283348580861,
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"volume": 239.5398550722205,
"volume_molar": 7.21271362437456,
"formula_full": "Sr4 Cu2 Rh2 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 2
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{
"id": "oqmd-1759126",
"created_at": "2022-09-04T16:03:15.060628Z",
"updated_at": "2022-09-04T16:03:15.060653Z",
"structure_string": "Eu4 Mg2 Ti2 O12\n1.0\n5.488714 0.000000 0.000000\n0.000000 5.509050 0.000000\n-5.467985 0.000000 7.741695\nEu Mg O Ti\n4 2 12 2\ndirect\n0.240045 0.965076 0.248702 Eu\n0.759955 0.465076 0.251298 Eu\n0.240045 0.534924 0.748702 Eu\n0.759955 0.034924 0.751298 Eu\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.813142 0.214709 0.035457 O\n0.749811 0.724437 0.037201 O\n0.676337 0.014050 0.245603 O\n0.323663 0.514050 0.254397 O\n0.250189 0.224437 0.462799 O\n0.186858 0.714709 0.464543 O\n0.813142 0.285291 0.535457 O\n0.749811 0.775563 0.537201 O\n0.676337 0.485950 0.745603 O\n0.323663 0.985950 0.754397 O\n0.250189 0.275563 0.962799 O\n0.186858 0.785291 0.964543 O\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n",
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"formula_full": "Eu4 Mg2 Ti2 O12",
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{
"id": "oqmd-1734066",
"created_at": "2022-09-04T16:03:15.058558Z",
"updated_at": "2022-09-04T16:03:15.058582Z",
"structure_string": "Pd2 C1 Cl2\n1.0\n2.892076 -1.669894 0.000000\n2.892076 1.669894 0.000000\n-0.002183 0.000000 9.152646\nC Cl Pd\n1 2 2\ndirect\n0.000000 0.000000 0.500000 C\n0.333328 0.333328 0.196948 Cl\n0.666672 0.666672 0.803052 Cl\n0.666689 0.666689 0.383083 Pd\n0.333311 0.333311 0.616917 Pd\n",
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"spacegroup": 164
},
{
"id": "oqmd-1668142",
"created_at": "2022-09-04T16:03:15.057811Z",
"updated_at": "2022-09-04T16:03:15.057847Z",
"structure_string": "Sr4 Cu2 Rh2 O12\n1.0\n5.423845 0.000000 0.000000\n0.083090 5.438343 0.000000\n0.030824 0.027249 8.146674\nCu O Rh Sr\n2 12 2 4\ndirect\n0.449936 0.449975 0.000000 Cu\n0.949956 0.949955 0.499997 Cu\n0.251691 0.145298 0.001010 O\n0.752128 0.254728 0.006135 O\n0.955021 0.940124 0.241137 O\n0.445119 0.459717 0.258622 O\n0.648827 0.146877 0.494046 O\n0.149082 0.253435 0.499182 O\n0.750758 0.646463 0.500838 O\n0.250982 0.753437 0.505962 O\n0.454808 0.440345 0.741489 O\n0.945007 0.959819 0.758827 O\n0.147716 0.645378 0.993856 O\n0.648247 0.754756 0.998967 O\n0.950244 0.949843 0.000000 Rh\n0.450509 0.449824 0.499862 Rh\n0.951314 0.450607 0.249361 Sr\n0.449152 0.949485 0.251068 Sr\n0.450852 0.950559 0.748940 Sr\n0.948652 0.449386 0.750640 Sr\n",
"nsites": 20,
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"formula_full": "Sr4 Cu2 Rh2 O12",
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{
"id": "oqmd-1741247",
"created_at": "2022-09-04T16:03:15.057789Z",
"updated_at": "2022-09-04T16:03:15.057817Z",
"structure_string": "Mn1 Ga2 Te4\n1.0\n-3.076173 3.076173 5.908080\n3.076173 -3.076173 5.908080\n3.076173 3.076173 -5.908080\nGa Mn Te\n2 1 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.000000 0.000000 0.000000 Mn\n0.402276 0.894164 0.027863 Te\n0.625586 0.597724 0.491888 Te\n0.105836 0.133698 0.508112 Te\n0.866302 0.374414 0.972137 Te\n",
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"spacegroup": 82
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{
"id": "oqmd-1759258",
"created_at": "2022-09-04T16:03:15.029559Z",
"updated_at": "2022-09-04T16:03:15.029577Z",
"structure_string": "Tm2 Ge4 Sb2 O12\n1.0\n5.882290 0.000000 0.000000\n0.000000 5.739861 0.000000\n-5.474199 0.000000 8.112799\nGe O Sb Tm\n4 12 2 2\ndirect\n0.196293 0.092311 0.238176 Ge\n0.803707 0.592311 0.261824 Ge\n0.196293 0.407689 0.738176 Ge\n0.803707 0.907689 0.761824 Ge\n0.841442 0.220875 0.043742 O\n0.805175 0.707751 0.069814 O\n0.300973 0.435666 0.234067 O\n0.699027 0.935666 0.265933 O\n0.194825 0.207751 0.430186 O\n0.158558 0.720875 0.456258 O\n0.841442 0.279125 0.543742 O\n0.805175 0.792249 0.569814 O\n0.300973 0.064334 0.734067 O\n0.699027 0.564334 0.765933 O\n0.194825 0.292249 0.930186 O\n0.158558 0.779125 0.956258 O\n0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n",
"nsites": 20,
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"formula_full": "Tm2 Ge4 Sb2 O12",
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{
"id": "oqmd-1759021",
"created_at": "2022-09-04T16:03:15.029354Z",
"updated_at": "2022-09-04T16:03:15.029380Z",
"structure_string": "Sr4 Dy2 Ir2 O12\n1.0\n5.771316 0.000000 0.000000\n0.000000 5.811751 0.000000\n-5.730051 0.000000 8.185286\nDy Ir O Sr\n2 2 12 4\ndirect\n0.500000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.764281 0.698295 0.038182 O\n0.845009 0.224873 0.040073 O\n0.309920 0.516851 0.235520 O\n0.690080 0.016851 0.264480 O\n0.154991 0.724873 0.459927 O\n0.235719 0.198295 0.461818 O\n0.764281 0.801705 0.538182 O\n0.845009 0.275127 0.540073 O\n0.309920 0.983149 0.735520 O\n0.690080 0.483149 0.764480 O\n0.154991 0.775127 0.959927 O\n0.235719 0.301705 0.961818 O\n0.241855 0.963346 0.249366 Sr\n0.758145 0.463346 0.250634 Sr\n0.241855 0.536654 0.749366 Sr\n0.758145 0.036654 0.750634 Sr\n",
"nsites": 20,
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{
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"created_at": "2022-09-04T16:03:15.024690Z",
"updated_at": "2022-09-04T16:03:15.024709Z",
"structure_string": "Tb4 Mn2 Fe2 O12\n1.0\n5.263046 0.000000 0.000000\n0.000000 5.623070 0.000000\n-5.141181 0.000000 7.496866\nFe Mn O Tb\n2 2 12 4\ndirect\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.850098 0.184627 0.052730 O\n0.736150 0.706388 0.055209 O\n0.634778 0.034200 0.244626 O\n0.365222 0.534200 0.255374 O\n0.263850 0.206388 0.444791 O\n0.149902 0.684627 0.447270 O\n0.850098 0.315373 0.552730 O\n0.736150 0.793612 0.555209 O\n0.634778 0.465800 0.744626 O\n0.365222 0.965800 0.755374 O\n0.263850 0.293612 0.944791 O\n0.149902 0.815373 0.947270 O\n0.227186 0.926234 0.248881 Tb\n0.772814 0.426234 0.251119 Tb\n0.227186 0.573766 0.748881 Tb\n0.772814 0.073766 0.751119 Tb\n",
"nsites": 20,
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"formula_full": "Tb4 Mn2 Fe2 O12",
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},
{
"id": "oqmd-1759092",
"created_at": "2022-09-04T16:03:15.022351Z",
"updated_at": "2022-09-04T16:03:15.022367Z",
"structure_string": "Eu4 Ho2 Sb2 O12\n1.0\n5.690046 0.000000 0.000000\n0.000000 5.807310 0.000000\n-5.649094 0.000000 8.109879\nEu Ho O Sb\n4 2 12 2\ndirect\n0.735623 0.046984 0.249458 Eu\n0.264377 0.546984 0.250542 Eu\n0.735623 0.453016 0.749458 Eu\n0.264377 0.953016 0.750542 Eu\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.269318 0.305988 0.050333 O\n0.363713 0.781768 0.053307 O\n0.833110 0.468456 0.235800 O\n0.166890 0.968456 0.264200 O\n0.636287 0.281768 0.446693 O\n0.730682 0.805988 0.449667 O\n0.269318 0.194012 0.550333 O\n0.363713 0.718232 0.553307 O\n0.833110 0.031544 0.735800 O\n0.166890 0.531544 0.764200 O\n0.636287 0.218232 0.946693 O\n0.730682 0.694012 0.949667 O\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n",
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],
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"formula_full": "Eu4 Ho2 Sb2 O12",
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{
"id": "oqmd-1759091",
"created_at": "2022-09-04T16:03:15.021165Z",
"updated_at": "2022-09-04T16:03:15.021186Z",
"structure_string": "Ba4 Pr2 Bi2 O12\n1.0\n6.226129 0.000000 0.000000\n0.000000 6.188577 0.000000\n-6.181002 0.000000 8.754452\nBa Bi O Pr\n4 2 12 2\ndirect\n0.243233 0.981632 0.248750 Ba\n0.756767 0.481632 0.251250 Ba\n0.243233 0.518368 0.748750 Ba\n0.756767 0.018368 0.751250 Ba\n0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.826952 0.235309 0.037898 O\n0.777836 0.714557 0.038529 O\n0.308666 0.510413 0.237130 O\n0.691334 0.010413 0.262870 O\n0.222164 0.214557 0.461471 O\n0.173048 0.735309 0.462102 O\n0.826952 0.264691 0.537898 O\n0.777836 0.785443 0.538529 O\n0.308666 0.989587 0.737130 O\n0.691334 0.489587 0.762870 O\n0.222164 0.285443 0.961471 O\n0.173048 0.764691 0.962102 O\n0.500000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n",
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],
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"formula_full": "Ba4 Pr2 Bi2 O12",
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"spacegroup": 14
}
]
}