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{
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{
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{
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"structure_string": "Ba8 Nb4 Fe4 O24\n1.0\n2.926346 -5.068580 0.000000\n2.926346 5.068580 0.000000\n0.000000 0.000000 19.238911\nBa Nb Fe O\n8 4 4 24\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.358240 Ba\n0.666667 0.333333 0.641760 Ba\n0.666667 0.333333 0.858240 Ba\n0.333333 0.666667 0.141760 Ba\n0.333333 0.666667 0.936318 Nb\n0.666667 0.333333 0.063682 Nb\n0.666667 0.333333 0.436318 Nb\n0.333333 0.666667 0.563682 Nb\n0.000000 0.000000 0.317585 Fe\n0.000000 0.000000 0.682415 Fe\n0.000000 0.000000 0.817585 Fe\n0.000000 0.000000 0.182415 Fe\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.153789 0.846211 0.250000 O\n0.153789 0.307578 0.250000 O\n0.692422 0.846211 0.250000 O\n0.846211 0.153789 0.750000 O\n0.846211 0.692422 0.750000 O\n0.307578 0.153789 0.750000 O\n0.170265 0.829735 0.879619 O\n0.170265 0.340530 0.879619 O\n0.659470 0.829735 0.879619 O\n0.829735 0.170265 0.120381 O\n0.829735 0.659470 0.120381 O\n0.340530 0.170265 0.120381 O\n0.829735 0.170265 0.379619 O\n0.829735 0.659470 0.379619 O\n0.340530 0.170265 0.379619 O\n0.170265 0.829735 0.620381 O\n0.170265 0.340530 0.620381 O\n0.659470 0.829735 0.620381 O\n",
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{
"id": "mp-1226698",
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"structure_string": "Cu5 H8 Cl2 O10\n1.0\n5.930558 0.000000 0.000000\n-2.234311 5.524050 0.000000\n-2.763312 -2.047496 8.250772\nCu H Cl O\n5 8 2 10\ndirect\n0.635573 0.029008 0.665989 Cu\n0.364427 0.970992 0.334011 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.127499 0.290126 0.794984 H\n0.501948 0.670358 0.800566 H\n0.872501 0.709874 0.205016 H\n0.498052 0.329642 0.199434 H\n0.013972 0.296221 0.301430 H\n0.986028 0.703779 0.698570 H\n0.789455 0.483748 0.545960 H\n0.210545 0.516252 0.454040 H\n0.473551 0.337286 0.800106 Cl\n0.526449 0.662714 0.199894 Cl\n0.974698 0.240929 0.831576 O\n0.585097 0.858601 0.833717 O\n0.025302 0.759071 0.168424 O\n0.414903 0.141399 0.166283 O\n0.681061 0.159365 0.496079 O\n0.318939 0.840635 0.503921 O\n0.868439 0.213058 0.086128 O\n0.131561 0.786942 0.913872 O\n0.133429 0.331484 0.415052 O\n0.866571 0.668516 0.584948 O\n",
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"formula_full": "Cu5 H8 Cl2 O10",
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{
"id": "mp-1208898",
"created_at": "2022-09-04T14:46:14.266150Z",
"structure_string": "Sm4 Al12 Ni4\n1.0\n4.091309 0.000000 0.000000\n0.000000 8.168893 0.000000\n0.000000 0.000000 10.741081\nSm Al Ni\n4 12 4\ndirect\n0.250000 0.685340 0.509258 Sm\n0.750000 0.314660 0.490742 Sm\n0.750000 0.814660 0.009258 Sm\n0.250000 0.185340 0.990742 Sm\n0.250000 0.856666 0.222804 Al\n0.750000 0.143334 0.777196 Al\n0.750000 0.643334 0.722804 Al\n0.250000 0.356666 0.277196 Al\n0.250000 0.553801 0.083257 Al\n0.750000 0.446199 0.916743 Al\n0.750000 0.946199 0.583257 Al\n0.250000 0.053801 0.416743 Al\n0.250000 0.885149 0.784985 Al\n0.750000 0.114851 0.215015 Al\n0.750000 0.614851 0.284985 Al\n0.250000 0.385149 0.715015 Al\n0.250000 0.604974 0.856064 Ni\n0.750000 0.395026 0.143936 Ni\n0.750000 0.895026 0.356064 Ni\n0.250000 0.104974 0.643936 Ni\n",
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{
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"created_at": "2022-09-04T14:46:14.277198Z",
"structure_string": "Li4 Nb1 Fe3 O12\n1.0\n8.251584 0.000000 0.000000\n0.000000 4.944012 0.000000\n0.000000 0.087610 5.022409\nLi Nb Fe O\n4 1 3 12\ndirect\n0.703659 0.000000 0.000000 Li\n0.805131 0.500000 0.000000 Li\n0.326648 0.000000 0.500000 Li\n0.205334 0.500000 0.500000 Li\n0.108239 0.000000 0.000000 Nb\n0.420998 0.500000 0.000000 Fe\n0.907088 0.000000 0.500000 Fe\n0.605604 0.500000 0.500000 Fe\n0.262134 0.259676 0.146186 O\n0.588801 0.305770 0.181958 O\n0.915016 0.192750 0.181878 O\n0.432559 0.695567 0.316638 O\n0.079577 0.793547 0.339229 O\n0.751103 0.753755 0.346236 O\n0.751103 0.246245 0.653764 O\n0.079577 0.206453 0.660771 O\n0.432559 0.304433 0.683362 O\n0.915016 0.807250 0.818122 O\n0.588801 0.694230 0.818042 O\n0.262134 0.740324 0.853814 O\n",
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{
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{
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{
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"structure_string": "Rb6 Mn6 P6 O20 F14\n1.0\n7.038588 4.502120 -3.172823\n7.038588 -4.502120 -3.172823\n-0.041472 0.000000 -12.415528\nRb Mn P O F\n6 6 6 20 14\ndirect\n0.457866 0.892598 0.074497 Rb\n0.892598 0.457866 0.574497 Rb\n0.062503 0.690562 0.071931 Rb\n0.690562 0.062503 0.571931 Rb\n0.851710 0.282455 0.083128 Rb\n0.282455 0.851710 0.583128 Rb\n0.128357 0.217161 0.303101 Mn\n0.217161 0.128357 0.803101 Mn\n0.379466 0.457360 0.311224 Mn\n0.457360 0.379466 0.811224 Mn\n0.623825 0.966639 0.303709 Mn\n0.966639 0.623825 0.803709 Mn\n0.440981 0.282645 0.104644 P\n0.282645 0.440981 0.604644 P\n0.051711 0.884536 0.286188 P\n0.884536 0.051711 0.786188 P\n0.714631 0.552537 0.291285 P\n0.552537 0.714631 0.791285 P\n0.590764 0.102199 0.145902 O\n0.102199 0.590764 0.645902 O\n0.260212 0.270767 0.144290 O\n0.270767 0.260212 0.644290 O\n0.429244 0.429603 0.151092 O\n0.429603 0.429244 0.651092 O\n0.489118 0.332575 0.969570 O\n0.332575 0.489118 0.469570 O\n0.907978 0.430379 0.253020 O\n0.430379 0.907978 0.753020 O\n0.089371 0.045985 0.249454 O\n0.045985 0.089371 0.749454 O\n0.890179 0.922272 0.248080 O\n0.922272 0.890179 0.748080 O\n0.682162 0.745911 0.251895 O\n0.745911 0.682162 0.751895 O\n0.590396 0.517682 0.254550 O\n0.517682 0.590396 0.754550 O\n0.212375 0.723104 0.250145 O\n0.723104 0.212375 0.750145 O\n0.005560 0.167947 0.456744 F\n0.167947 0.005560 0.956744 F\n0.186960 0.387959 0.354655 F\n0.387959 0.186960 0.854655 F\n0.670012 0.506189 0.431784 F\n0.506189 0.670012 0.931784 F\n0.556924 0.183523 0.352887 F\n0.183523 0.556924 0.852887 F\n0.642539 0.841170 0.457245 F\n0.841170 0.642539 0.957245 F\n0.002356 0.838654 0.428159 F\n0.838654 0.002356 0.928159 F\n0.349957 0.024933 0.347862 F\n0.024933 0.349957 0.847862 F\n",
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{
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{
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"formula_full": "Ce4 Ga4 Rh4",
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{
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]
}