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{
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{
"id": "mp-20465",
"created_at": "2022-09-04T14:48:22.677749Z",
"structure_string": "As8 Pd4\n1.0\n6.086488 0.000000 0.000000\n0.000000 6.086488 0.000000\n0.000000 0.000000 6.086488\nAs Pd\n8 4\ndirect\n0.383247 0.116753 0.883247 As\n0.116753 0.883247 0.383247 As\n0.883247 0.383247 0.116753 As\n0.616753 0.616753 0.616753 As\n0.383247 0.383247 0.383247 As\n0.116753 0.616753 0.883247 As\n0.883247 0.116753 0.616753 As\n0.616753 0.883247 0.116753 As\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
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{
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"formula_full": "Rb1 Li1 Mg14 O15",
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{
"id": "mp-28231",
"created_at": "2022-09-04T14:48:22.687923Z",
"structure_string": "Ti4 Fe2 O10\n1.0\n3.757844 0.000000 0.000000\n-1.878922 4.961347 0.000000\n0.000000 0.000000 10.240318\nTi Fe O\n4 2 10\ndirect\n0.132829 0.265658 0.066986 Ti\n0.867170 0.734343 0.933014 Ti\n0.867170 0.734343 0.566986 Ti\n0.132829 0.265658 0.433014 Ti\n0.807409 0.614821 0.250000 Fe\n0.192590 0.385179 0.750000 Fe\n0.314080 0.628159 0.558753 O\n0.685919 0.371841 0.441247 O\n0.685919 0.371841 0.058753 O\n0.314080 0.628159 0.941247 O\n0.045104 0.090208 0.611573 O\n0.954895 0.909792 0.388427 O\n0.795032 0.590066 0.750000 O\n0.204967 0.409934 0.250000 O\n0.954895 0.909792 0.111573 O\n0.045104 0.090208 0.888427 O\n",
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"volume": 190.9201616739301,
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"formula_full": "Ti4 Fe2 O10",
"formula_reduced": "Ti2FeO5",
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"spacegroup": 63
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{
"id": "mp-1111991",
"created_at": "2022-09-04T14:48:22.701792Z",
"structure_string": "K2 Tb1 Cu1 Cl6\n1.0\n0.000000 5.185069 5.185069\n5.185069 0.000000 5.185069\n5.185069 5.185069 0.000000\nK Tb Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Cu\n0.745239 0.254761 0.254761 Cl\n0.254761 0.254761 0.745239 Cl\n0.254761 0.745239 0.745239 Cl\n0.254761 0.745239 0.254761 Cl\n0.745239 0.254761 0.745239 Cl\n0.745239 0.745239 0.254761 Cl\n",
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"formula_full": "K2 Tb1 Cu1 Cl6",
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"spacegroup": 225
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{
"id": "mp-1104399",
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"structure_string": "Dy6 Pd8\n1.0\n4.278305 -6.630834 0.000000\n4.278305 6.630834 0.000000\n-5.998653 0.000000 5.127184\nDy Pd\n6 8\ndirect\n0.403143 0.026041 0.280622 Dy\n0.026041 0.280622 0.403143 Dy\n0.280622 0.403143 0.026041 Dy\n0.596857 0.973959 0.719378 Dy\n0.973959 0.719378 0.596857 Dy\n0.719378 0.596857 0.973959 Dy\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.223762 0.060320 0.551443 Pd\n0.060320 0.551443 0.223762 Pd\n0.551443 0.223762 0.060320 Pd\n0.776238 0.939680 0.448557 Pd\n0.939680 0.448557 0.776238 Pd\n0.448557 0.776238 0.939680 Pd\n",
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{
"id": "mp-764498",
"created_at": "2022-09-04T14:48:22.731025Z",
"structure_string": "Mn12 O7 F17\n1.0\n4.908782 0.000000 0.000000\n-0.326354 5.564107 0.000000\n-0.087556 -1.885736 16.003125\nMn O F\n12 7 17\ndirect\n0.969474 0.899896 0.001845 Mn\n0.508069 0.172808 0.164103 Mn\n0.015481 0.008890 0.331620 Mn\n0.514083 0.934380 0.510376 Mn\n0.952577 0.932069 0.664165 Mn\n0.458254 0.045476 0.815646 Mn\n0.010942 0.602114 0.173083 Mn\n0.526145 0.416112 0.001379 Mn\n0.482391 0.393464 0.666043 Mn\n0.911549 0.430334 0.531403 Mn\n0.522326 0.531137 0.325729 Mn\n0.006171 0.559653 0.837992 Mn\n0.738988 0.162693 0.607403 O\n0.251642 0.144940 0.711996 O\n0.724327 0.394721 0.105681 O\n0.323449 0.435097 0.220629 O\n0.786570 0.619627 0.947685 O\n0.712456 0.647294 0.619980 O\n0.824361 0.706528 0.277686 O\n0.755334 0.205493 0.272224 F\n0.246226 0.159955 0.049456 F\n0.252110 0.311877 0.372517 F\n0.723907 0.108946 0.940531 F\n0.284459 0.287037 0.544869 F\n0.292305 0.352938 0.895519 F\n0.719986 0.336304 0.778113 F\n0.795999 0.123470 0.439602 F\n0.207555 0.654953 0.062071 F\n0.299002 0.832547 0.389665 F\n0.268437 0.642022 0.736055 F\n0.708139 0.612810 0.439965 F\n0.735436 0.909335 0.108750 F\n0.810905 0.856630 0.781580 F\n0.173352 0.775290 0.560225 F\n0.234822 0.854181 0.900402 F\n0.252773 0.938976 0.214009 F\n",
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"formula_full": "Mn12 O7 F17",
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{
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"structure_string": "U4 P8 H8 C4 O36\n1.0\n18.713220 0.000000 0.000000\n0.000000 8.212204 0.000000\n0.000000 0.000000 5.721272\nU P H C O\n4 8 8 4 36\ndirect\n0.893184 0.257563 0.504410 U\n0.106816 0.742437 0.004410 U\n0.606816 0.757563 0.004410 U\n0.393184 0.242437 0.504410 U\n0.772569 0.578883 0.296877 P\n0.227431 0.421117 0.796877 P\n0.727431 0.078883 0.796877 P\n0.272569 0.921117 0.296877 P\n0.931326 0.663832 0.279560 P\n0.068674 0.336168 0.779560 P\n0.568674 0.163832 0.779560 P\n0.431326 0.836168 0.279560 P\n0.829695 0.829616 0.193073 H\n0.170305 0.170384 0.693073 H\n0.670305 0.329616 0.693073 H\n0.329695 0.670384 0.193073 H\n0.843008 0.677806 0.974369 H\n0.156992 0.322194 0.474369 H\n0.656992 0.177806 0.474369 H\n0.343008 0.822194 0.974369 H\n0.842492 0.700398 0.163999 C\n0.157508 0.299602 0.663999 C\n0.657508 0.200398 0.663999 C\n0.342492 0.799602 0.163999 C\n0.941839 0.742541 0.522901 O\n0.058161 0.257459 0.022901 O\n0.558161 0.242541 0.022901 O\n0.441839 0.757459 0.522901 O\n0.905899 0.025383 0.760454 O\n0.094101 0.974617 0.260454 O\n0.594101 0.525383 0.260454 O\n0.405899 0.474617 0.760454 O\n0.941087 0.478569 0.303799 O\n0.058913 0.521431 0.803799 O\n0.558913 0.978569 0.803799 O\n0.441087 0.021431 0.303799 O\n0.905247 0.117176 0.265428 O\n0.094753 0.882824 0.765428 O\n0.594753 0.617176 0.765428 O\n0.405247 0.382824 0.265428 O\n0.795876 0.398927 0.320411 O\n0.204124 0.601073 0.820411 O\n0.704124 0.898927 0.820411 O\n0.295876 0.101073 0.320411 O\n0.878920 0.385652 0.755651 O\n0.121080 0.614348 0.255651 O\n0.621080 0.885652 0.255651 O\n0.378920 0.114348 0.755651 O\n0.984960 0.746219 0.114818 O\n0.015040 0.253781 0.614818 O\n0.515040 0.246219 0.614818 O\n0.484960 0.753781 0.114818 O\n0.759560 0.625399 0.554188 O\n0.240440 0.374601 0.054188 O\n0.740440 0.125399 0.054188 O\n0.259560 0.874601 0.554188 O\n0.706788 0.601852 0.138273 O\n0.293212 0.398148 0.638273 O\n0.793212 0.101852 0.638273 O\n0.206788 0.898148 0.138273 O\n",
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}