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{
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{
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{
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"structure_string": "Li2 Mn2 P2 O8 F2\n1.0\n5.196866 0.000000 0.000000\n-0.766618 5.280096 0.000000\n-1.830403 -2.685228 6.641420\nLi Mn P O F\n2 2 2 8 2\ndirect\n0.919672 0.191460 0.189005 Li\n0.080328 0.808540 0.810995 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.444527 0.593369 0.762695 P\n0.555473 0.406631 0.237305 P\n0.719344 0.671337 0.083028 O\n0.646939 0.000162 0.340820 O\n0.353061 0.999838 0.659180 O\n0.636243 0.405992 0.385877 O\n0.280656 0.328663 0.916972 O\n0.363757 0.594008 0.614123 O\n0.243288 0.545087 0.117571 O\n0.756712 0.454913 0.882429 O\n0.122810 0.812054 0.263098 F\n0.877190 0.187946 0.736902 F\n",
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"formula_full": "Li2 Mn2 P2 O8 F2",
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{
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"structure_string": "V1 Re11 B4\n1.0\n1.466594 -4.672650 0.000000\n1.466594 4.672650 0.000000\n0.000000 0.000000 14.633306\nV Re B\n1 11 4\ndirect\n0.571174 0.428826 0.000000 V\n0.864897 0.135103 0.092150 Re\n0.866626 0.133374 0.592744 Re\n0.137151 0.862849 0.151726 Re\n0.134178 0.865822 0.658713 Re\n0.864897 0.135103 0.907850 Re\n0.866626 0.133374 0.407256 Re\n0.134178 0.865822 0.341287 Re\n0.137151 0.862849 0.848274 Re\n0.576817 0.423183 0.500000 Re\n0.426119 0.573881 0.248436 Re\n0.426119 0.573881 0.751564 Re\n0.250006 0.749994 0.000000 B\n0.254788 0.745212 0.500000 B\n0.744636 0.255364 0.249120 B\n0.744636 0.255364 0.750880 B\n",
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{
"id": "mp-974850",
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"structure_string": "Rb3 Nd1\n1.0\n0.000000 5.167148 5.167148\n5.167148 0.000000 5.167148\n5.167148 5.167148 0.000000\nRb Nd\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n",
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{
"id": "mp-1207527",
"created_at": "2022-09-04T14:44:55.081847Z",
"structure_string": "Yb4 Si12 Pd20\n1.0\n0.000000 -4.010561 0.000000\n-19.780651 0.000000 0.000000\n0.000000 0.000000 -7.286370\nYb Si Pd\n4 12 20\ndirect\n0.750000 0.642512 0.120141 Yb\n0.250000 0.357488 0.879859 Yb\n0.250000 0.857488 0.620141 Yb\n0.750000 0.142512 0.379859 Yb\n0.750000 0.739651 0.623375 Si\n0.250000 0.260349 0.376625 Si\n0.250000 0.760349 0.123375 Si\n0.750000 0.239651 0.876625 Si\n0.750000 0.924334 0.347573 Si\n0.250000 0.075666 0.652427 Si\n0.250000 0.575666 0.847573 Si\n0.750000 0.424334 0.152427 Si\n0.750000 0.915438 0.908063 Si\n0.250000 0.084562 0.091937 Si\n0.250000 0.584562 0.408063 Si\n0.750000 0.415438 0.591937 Si\n0.750000 0.800147 0.323741 Pd\n0.250000 0.199853 0.676259 Pd\n0.250000 0.699853 0.823741 Pd\n0.750000 0.300147 0.176259 Pd\n0.750000 0.991807 0.626299 Pd\n0.250000 0.008193 0.373701 Pd\n0.250000 0.508193 0.126299 Pd\n0.750000 0.491807 0.873701 Pd\n0.750000 0.514233 0.378581 Pd\n0.250000 0.485767 0.621419 Pd\n0.250000 0.985767 0.878581 Pd\n0.750000 0.014233 0.121419 Pd\n0.750000 0.795944 0.926733 Pd\n0.250000 0.204056 0.073267 Pd\n0.250000 0.704056 0.426733 Pd\n0.750000 0.295944 0.573267 Pd\n0.750000 0.616668 0.650549 Pd\n0.250000 0.383331 0.349451 Pd\n0.250000 0.883332 0.150549 Pd\n0.750000 0.116668 0.849451 Pd\n",
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{
"id": "mp-1192746",
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"structure_string": "Li2 As4 H6 O14\n1.0\n4.725481 5.801836 0.000000\n-4.725481 5.801836 0.000000\n0.000000 2.456077 5.141021\nLi As H O\n2 4 6 14\ndirect\n0.152071 0.847929 0.000000 Li\n0.847929 0.152071 0.000000 Li\n0.269235 0.269235 0.950570 As\n0.730765 0.730765 0.049430 As\n0.349625 0.650375 0.500000 As\n0.650375 0.349625 0.500000 As\n0.027619 0.718153 0.502754 H\n0.718153 0.027619 0.502754 H\n0.972381 0.281847 0.497246 H\n0.281847 0.972381 0.497246 H\n0.308038 0.308038 0.323077 H\n0.691962 0.691962 0.676923 H\n0.132669 0.132669 0.922318 O\n0.867331 0.867331 0.077682 O\n0.207869 0.514681 0.837320 O\n0.514681 0.207869 0.837320 O\n0.792131 0.485319 0.162680 O\n0.485319 0.792131 0.162680 O\n0.228448 0.228448 0.287922 O\n0.771552 0.771552 0.712078 O\n0.149087 0.705328 0.367390 O\n0.705328 0.149087 0.367390 O\n0.850913 0.294672 0.632610 O\n0.294672 0.850913 0.632610 O\n0.422698 0.422698 0.407701 O\n0.577302 0.577302 0.592299 O\n",
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{
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{
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{
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{
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"structure_string": "Ho6 Ga18\n1.0\n3.079146 -5.333238 0.000000\n3.079146 5.333238 0.000000\n0.000000 0.000000 14.220173\nHo Ga\n6 18\ndirect\n0.000000 0.000000 0.250000 Ho\n0.000000 0.000000 0.750000 Ho\n0.333333 0.666667 0.408434 Ho\n0.666667 0.333333 0.591566 Ho\n0.666667 0.333333 0.908434 Ho\n0.333333 0.666667 0.091566 Ho\n0.519902 0.480098 0.250000 Ga\n0.519902 0.039803 0.250000 Ga\n0.960197 0.480098 0.250000 Ga\n0.480098 0.519902 0.750000 Ga\n0.480098 0.960197 0.750000 Ga\n0.039803 0.519902 0.750000 Ga\n0.833487 0.166513 0.418424 Ga\n0.833487 0.666975 0.418424 Ga\n0.333025 0.166513 0.418424 Ga\n0.166513 0.833487 0.581576 Ga\n0.166513 0.333025 0.581576 Ga\n0.666975 0.833487 0.581576 Ga\n0.166513 0.833487 0.918424 Ga\n0.166513 0.333025 0.918424 Ga\n0.666975 0.833487 0.918424 Ga\n0.833487 0.166513 0.081576 Ga\n0.833487 0.666975 0.081576 Ga\n0.333025 0.166513 0.081576 Ga\n",
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"elements": [
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{
"id": "mp-1225419",
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"structure_string": "Fe16 Ni20 P12\n1.0\n4.405960 0.000000 0.000000\n-2.180414 -6.322827 0.000000\n-2.182097 0.011895 -19.009696\nFe Ni P\n16 20 12\ndirect\n0.143597 0.815700 0.009057 Fe\n0.812542 0.816248 0.342510 Fe\n0.479091 0.816465 0.675518 Fe\n0.983709 0.184562 0.323302 Fe\n0.651920 0.184388 0.656706 Fe\n0.320469 0.184763 0.990690 Fe\n0.816996 0.032449 0.061259 Fe\n0.479569 0.028281 0.394125 Fe\n0.145775 0.028737 0.727385 Fe\n0.390030 0.967892 0.271891 Fe\n0.057680 0.968141 0.605171 Fe\n0.723847 0.967939 0.938628 Fe\n0.389794 0.603871 0.223648 Fe\n0.061103 0.606373 0.557528 Fe\n0.727877 0.606366 0.890757 Fe\n0.229957 0.396102 0.109795 Fe\n0.561110 0.610772 0.017282 Ni\n0.230823 0.611064 0.350932 Ni\n0.896805 0.611118 0.684293 Ni\n0.599169 0.387966 0.316290 Ni\n0.266183 0.387726 0.649966 Ni\n0.933647 0.388913 0.983244 Ni\n0.341907 0.050618 0.129577 Ni\n0.008099 0.052119 0.462848 Ni\n0.674561 0.051896 0.796254 Ni\n0.829218 0.949394 0.203723 Ni\n0.497386 0.950563 0.537072 Ni\n0.163884 0.950392 0.870386 Ni\n0.894222 0.395381 0.443083 Ni\n0.561377 0.395387 0.776374 Ni\n0.922713 0.668886 0.131493 Ni\n0.589600 0.668932 0.464925 Ni\n0.255968 0.668914 0.798179 Ni\n0.787844 0.331537 0.201727 Ni\n0.454445 0.332348 0.534865 Ni\n0.121739 0.331925 0.868106 Ni\n0.940506 0.661456 0.253242 P\n0.607155 0.660412 0.586450 P\n0.272893 0.660669 0.919460 P\n0.691578 0.338030 0.080628 P\n0.355175 0.336105 0.413249 P\n0.021769 0.336034 0.746718 P\n0.453999 0.758685 0.113650 P\n0.119769 0.758245 0.447259 P\n0.786267 0.758335 0.780424 P\n0.248124 0.241735 0.219838 P\n0.915572 0.243201 0.553643 P\n0.582539 0.242963 0.886853 P\n",
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}