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{
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{
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{
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{
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"structure_string": "Ta1 N1 F6\n1.0\n3.268694 -3.650553 0.000000\n3.268694 3.650553 0.000000\n-0.808329 0.000000 4.832960\nTa N F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 N\n0.785579 0.084133 0.672052 F\n0.084133 0.672052 0.785579 F\n0.672052 0.785579 0.084133 F\n0.214421 0.915867 0.327948 F\n0.915867 0.327948 0.214421 F\n0.327948 0.214421 0.915867 F\n",
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{
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"formula_full": "Al12 B10 O30 F6",
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{
"id": "mp-1103543",
"created_at": "2022-09-04T14:46:37.173815Z",
"structure_string": "Ba1 Dy1 Fe4 O7\n1.0\n-3.177056 3.177056 4.665196\n3.177056 -3.177056 4.665196\n3.177056 3.177056 -4.665196\nBa Dy Fe O\n1 1 4 7\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Dy\n0.620772 0.408659 0.269384 Fe\n0.139275 0.351388 0.730616 Fe\n0.591341 0.860725 0.212113 Fe\n0.648612 0.379228 0.787887 Fe\n0.222905 0.725189 0.901040 O\n0.824149 0.321864 0.098960 O\n0.274811 0.175851 0.497716 O\n0.678136 0.777095 0.502284 O\n0.754664 0.754664 0.000000 O\n0.245336 0.245336 0.000000 O\n0.750000 0.250000 0.500000 O\n",
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{
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{
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{
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"structure_string": "Tb10 Ru4\n1.0\n0.000000 6.381871 0.000000\n0.009502 0.000000 7.310350\n7.867213 -3.190936 -0.982081\nTb Ru\n10 4\ndirect\n0.977577 0.915752 0.186674 Tb\n0.790903 0.584248 0.813326 Tb\n0.022423 0.084248 0.813326 Tb\n0.209097 0.415752 0.186674 Tb\n0.641139 0.814106 0.435165 Tb\n0.205974 0.685894 0.564835 Tb\n0.358861 0.185894 0.564835 Tb\n0.794026 0.314106 0.435165 Tb\n0.418799 0.750000 0.000000 Tb\n0.581201 0.250000 0.000000 Tb\n0.822517 0.575689 0.220110 Ru\n0.602407 0.924311 0.779890 Ru\n0.177483 0.424311 0.779890 Ru\n0.397593 0.075689 0.220110 Ru\n",
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{
"id": "mp-1199190",
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"structure_string": "Ba12 Bi3 Ir9 O36\n1.0\n2.993012 5.193504 0.000000\n-2.993012 5.193504 0.000000\n0.000000 2.099954 30.093220\nBa Bi Ir O\n12 3 9 36\ndirect\n0.331825 0.331825 0.460724 Ba\n0.668175 0.668175 0.539276 Ba\n0.345480 0.345480 0.619801 Ba\n0.654520 0.654520 0.380199 Ba\n0.995977 0.995977 0.717034 Ba\n0.004023 0.004023 0.282966 Ba\n0.326371 0.326371 0.203074 Ba\n0.673629 0.673629 0.796926 Ba\n0.005477 0.005477 0.871772 Ba\n0.994523 0.994523 0.128228 Ba\n0.321655 0.321655 0.049478 Ba\n0.678345 0.678345 0.950522 Ba\n0.328789 0.328789 0.332160 Bi\n0.671211 0.671211 0.667840 Bi\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Ir\n0.018006 0.018006 0.585680 Ir\n0.981994 0.981994 0.414320 Ir\n0.322516 0.322516 0.749031 Ir\n0.677484 0.677484 0.250969 Ir\n0.337041 0.337041 0.833851 Ir\n0.662959 0.662959 0.166149 Ir\n0.351565 0.351565 0.918855 Ir\n0.648435 0.648435 0.081145 Ir\n0.161137 0.161137 0.534645 O\n0.838863 0.838863 0.465355 O\n0.118776 0.118776 0.365070 O\n0.881224 0.881224 0.634930 O\n0.462024 0.462024 0.700996 O\n0.537976 0.537976 0.299004 O\n0.823220 0.823220 0.201046 O\n0.176780 0.176780 0.798954 O\n0.497654 0.497654 0.868651 O\n0.502346 0.502346 0.131349 O\n0.788016 0.788016 0.032892 O\n0.211984 0.211984 0.967108 O\n0.700291 0.158856 0.546073 O\n0.158856 0.700291 0.546073 O\n0.299709 0.841144 0.453927 O\n0.841144 0.299709 0.453927 O\n0.649181 0.125414 0.383317 O\n0.125414 0.649181 0.383317 O\n0.350819 0.874586 0.616683 O\n0.874586 0.350819 0.616683 O\n0.531571 0.011691 0.281238 O\n0.011691 0.531571 0.281238 O\n0.468429 0.988309 0.718762 O\n0.988309 0.468429 0.718762 O\n0.359409 0.822569 0.211112 O\n0.822569 0.359409 0.211112 O\n0.640591 0.177431 0.788888 O\n0.177431 0.640591 0.788888 O\n0.504137 0.967009 0.121016 O\n0.967009 0.504137 0.121016 O\n0.495863 0.032991 0.878984 O\n0.032991 0.495863 0.878984 O\n0.314516 0.792889 0.051188 O\n0.792889 0.314516 0.051188 O\n0.685484 0.207111 0.948812 O\n0.207111 0.685484 0.948812 O\n",
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"formula_full": "Ba12 Bi3 Ir9 O36",
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{
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"elements": [
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},
{
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"structure_string": "La10 Ti8 Fe2 O34\n1.0\n3.972749 0.000000 0.000000\n0.000000 5.557099 0.000000\n0.000000 0.000000 31.470449\nLa Ti Fe O\n10 8 2 34\ndirect\n0.500000 0.519716 0.909537 La\n0.000000 0.548240 0.286765 La\n0.000000 0.451760 0.713235 La\n0.500000 0.480284 0.090463 La\n0.500000 0.048240 0.213235 La\n0.000000 0.500000 0.500000 La\n0.500000 0.951760 0.786765 La\n0.500000 0.000000 0.000000 La\n0.000000 0.019716 0.590463 La\n0.000000 0.980284 0.409537 La\n0.500000 0.014685 0.322179 Ti\n0.500000 0.495010 0.408179 Ti\n0.500000 0.504990 0.591821 Ti\n0.500000 0.985315 0.677821 Ti\n0.000000 0.995010 0.091821 Ti\n0.000000 0.004990 0.908179 Ti\n0.000000 0.485315 0.822179 Ti\n0.000000 0.514685 0.177821 Ti\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.207157 0.553964 O\n0.000000 0.000000 0.500000 O\n0.500000 0.006427 0.915784 O\n0.000000 0.219516 0.787426 O\n0.000000 0.294430 0.224008 O\n0.000000 0.707157 0.946036 O\n0.000000 0.010680 0.671599 O\n0.000000 0.803973 0.035303 O\n0.000000 0.780484 0.212574 O\n0.500000 0.297595 0.637768 O\n0.000000 0.493573 0.415784 O\n0.500000 0.696027 0.535303 O\n0.500000 0.500000 0.000000 O\n0.000000 0.202405 0.137768 O\n0.500000 0.303973 0.464697 O\n0.000000 0.292843 0.053964 O\n0.500000 0.810054 0.621268 O\n0.500000 0.702405 0.362232 O\n0.000000 0.797595 0.862232 O\n0.000000 0.196027 0.964697 O\n0.500000 0.489320 0.171599 O\n0.500000 0.280484 0.287426 O\n0.500000 0.189946 0.378732 O\n0.500000 0.993573 0.084216 O\n0.000000 0.689946 0.121268 O\n0.000000 0.705570 0.775992 O\n0.000000 0.506427 0.584216 O\n0.500000 0.794430 0.275992 O\n0.500000 0.719516 0.712574 O\n0.500000 0.510680 0.828401 O\n0.000000 0.310054 0.878732 O\n0.500000 0.205570 0.724008 O\n0.000000 0.989320 0.328401 O\n0.500000 0.792843 0.446036 O\n",
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"elements": [
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],
"chemical_system": "Fe-La-O-Ti",
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"volume": 694.7718278672152,
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"formula_full": "La10 Ti8 Fe2 O34",
"formula_reduced": "La5Ti4FeO17",
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"updated_at": "2021-11-28T01:37:46.588000Z",
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]
}