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{
"id": "mp-780288",
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"structure_string": "Li6 Si4 Ni4 O16\n1.0\n5.021067 0.000000 0.000000\n0.000000 6.404060 0.000000\n0.000000 0.261337 10.752826\nLi Si Ni O\n6 4 4 16\ndirect\n0.950564 0.130640 0.093587 Li\n0.953176 0.383581 0.326425 Li\n0.444271 0.628174 0.408530 Li\n0.049436 0.130640 0.593587 Li\n0.046824 0.383581 0.826425 Li\n0.555729 0.628174 0.908530 Li\n0.436663 0.382452 0.157935 Si\n0.942404 0.881157 0.338482 Si\n0.563337 0.382452 0.657935 Si\n0.057596 0.881157 0.838482 Si\n0.946368 0.650050 0.089282 Ni\n0.449280 0.131211 0.414591 Ni\n0.053632 0.650050 0.589282 Ni\n0.550720 0.131211 0.914591 Ni\n0.549752 0.177883 0.082341 O\n0.559953 0.588905 0.090665 O\n0.109554 0.385098 0.157175 O\n0.010420 0.887618 0.192162 O\n0.540383 0.360404 0.307172 O\n0.615866 0.895511 0.364796 O\n0.068853 0.092213 0.405729 O\n0.042758 0.658616 0.403164 O\n0.450248 0.177883 0.582341 O\n0.440047 0.588905 0.590665 O\n0.890446 0.385098 0.657175 O\n0.989580 0.887618 0.692162 O\n0.459617 0.360404 0.807172 O\n0.384134 0.895511 0.864796 O\n0.931147 0.092213 0.905729 O\n0.957242 0.658616 0.903164 O\n",
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{
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{
"id": "mp-1824",
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"structure_string": "Nd1 Ni5\n1.0\n2.479316 -4.294302 0.000000\n2.479316 4.294302 0.000000\n0.000000 0.000000 3.940742\nNd Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Nd\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
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{
"id": "mp-1120821",
"created_at": "2022-09-04T14:42:20.384730Z",
"structure_string": "V8 Bi6\n1.0\n2.121131 6.904104 0.000000\n-2.121131 6.904104 0.000000\n0.000000 3.603645 9.995415\nV Bi\n8 6\ndirect\n0.439979 0.439979 0.646379 V\n0.560021 0.560021 0.353621 V\n0.209129 0.209129 0.847497 V\n0.790871 0.790871 0.152503 V\n0.636717 0.636717 0.523806 V\n0.363283 0.363283 0.476194 V\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.785951 0.785951 0.664609 Bi\n0.214049 0.214049 0.335391 Bi\n0.370839 0.370839 0.958738 Bi\n0.629161 0.629161 0.041262 Bi\n0.056794 0.056794 0.725082 Bi\n0.943206 0.943206 0.274918 Bi\n",
"nsites": 14,
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"spacegroup": 12
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{
"id": "mp-30066",
"created_at": "2022-09-04T14:42:21.502316Z",
"structure_string": "Sb7 Pd20\n1.0\n5.079786 -5.963255 0.000000\n5.079786 5.963255 0.000000\n-1.920588 0.000000 7.594470\nSb Pd\n7 20\ndirect\n0.000000 0.000000 0.000000 Sb\n0.454843 0.877295 0.725069 Sb\n0.877295 0.725069 0.454843 Sb\n0.725069 0.454843 0.877295 Sb\n0.545157 0.122705 0.274931 Sb\n0.122705 0.274931 0.545157 Sb\n0.274931 0.545157 0.122705 Sb\n0.377046 0.377046 0.377046 Pd\n0.622954 0.622954 0.622954 Pd\n0.000892 0.339496 0.224812 Pd\n0.339496 0.224812 0.000892 Pd\n0.224812 0.000891 0.339496 Pd\n0.999108 0.660504 0.775188 Pd\n0.660504 0.775188 0.999109 Pd\n0.775188 0.999109 0.660504 Pd\n0.688622 0.144424 0.988133 Pd\n0.144424 0.988133 0.688622 Pd\n0.988133 0.688622 0.144424 Pd\n0.311378 0.855576 0.011867 Pd\n0.855576 0.011867 0.311378 Pd\n0.011867 0.311378 0.855576 Pd\n0.207275 0.664028 0.476920 Pd\n0.664028 0.476920 0.207275 Pd\n0.476920 0.207275 0.664028 Pd\n0.792725 0.335972 0.523080 Pd\n0.335972 0.523080 0.792725 Pd\n0.523080 0.792725 0.335972 Pd\n",
"nsites": 27,
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"elements": [
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},
{
"id": "mp-757074",
"created_at": "2022-09-04T14:42:21.535383Z",
"structure_string": "Ba1 Ca2 I6\n1.0\n4.018918 -6.960970 0.000000\n4.018918 6.960970 0.000000\n0.000000 0.000000 7.640809\nBa Ca I\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.500000 Ca\n0.666667 0.333333 0.500000 Ca\n0.000000 0.646574 0.732547 I\n0.000000 0.353426 0.267453 I\n0.353426 0.353426 0.732547 I\n0.646574 0.646574 0.267453 I\n0.353426 0.000000 0.267453 I\n0.646574 0.000000 0.732547 I\n",
"nsites": 9,
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"Ca",
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],
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"volume": 427.51193786185485,
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"formula_full": "Ba1 Ca2 I6",
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{
"id": "mp-631374",
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"structure_string": "Ti1 Tl2 W1\n1.0\n0.000000 3.396214 3.396214\n3.396214 0.000000 3.396214\n3.396214 3.396214 0.000000\nTi Tl W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.500000 0.500000 0.500000 W\n",
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{
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"structure_string": "F4\n1.0\n1.628935 2.634576 0.000000\n-1.628935 2.634576 0.000000\n0.000000 0.929068 5.450456\nF\n4\ndirect\n0.234385 0.280933 0.706899 F\n0.719067 0.765615 0.793101 F\n0.765615 0.719067 0.293101 F\n0.280933 0.234385 0.206899 F\n",
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{
"id": "mp-10645",
"created_at": "2022-09-04T14:42:21.627336Z",
"structure_string": "Tb2 Se2\n1.0\n2.302836 -3.988630 0.000000\n2.302836 3.988630 0.000000\n0.000000 0.000000 7.264827\nTb Se\n2 2\ndirect\n0.666667 0.333333 0.495160 Tb\n0.333333 0.666667 0.995160 Tb\n0.666667 0.333333 0.879840 Se\n0.333333 0.666667 0.379840 Se\n",
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},
{
"id": "mp-1227006",
"created_at": "2022-09-04T14:42:21.629107Z",
"structure_string": "Dy12 Cd72\n1.0\n-7.817697 7.872304 7.984599\n7.817697 -7.872304 7.984599\n7.817698 7.872304 -7.984599\nDy Cd\n12 72\ndirect\n0.807450 0.509517 0.702067 Dy\n0.192550 0.490483 0.297933 Dy\n0.192550 0.894617 0.702067 Dy\n0.807450 0.105383 0.297933 Dy\n0.108457 0.301907 0.806549 Dy\n0.891543 0.698093 0.193451 Dy\n0.495358 0.301907 0.193451 Dy\n0.504642 0.698093 0.806549 Dy\n0.301089 0.189598 0.490687 Dy\n0.698911 0.810402 0.509313 Dy\n0.301089 0.810402 0.111492 Dy\n0.698911 0.189598 0.888508 Dy\n0.999992 0.678562 0.001996 Cd\n0.323433 0.321438 0.321430 Cd\n0.000008 0.002003 0.678570 Cd\n0.676567 0.997997 0.998004 Cd\n0.000008 0.321438 0.998005 Cd\n0.676567 0.678562 0.678570 Cd\n0.999992 0.997997 0.321430 Cd\n0.323433 0.002003 0.001996 Cd\n0.741617 0.647175 0.905559 Cd\n0.258383 0.352825 0.094441 Cd\n0.258383 0.163942 0.905559 Cd\n0.741617 0.836058 0.094441 Cd\n0.856114 0.090678 0.765436 Cd\n0.143886 0.909322 0.234564 Cd\n0.325241 0.090678 0.234564 Cd\n0.674759 0.909322 0.765436 Cd\n0.095340 0.241220 0.336560 Cd\n0.904660 0.758780 0.663440 Cd\n0.095340 0.758780 0.854121 Cd\n0.904660 0.241220 0.145879 Cd\n0.596014 0.248775 0.652761 Cd\n0.403986 0.751225 0.347239 Cd\n0.403986 0.056747 0.652761 Cd\n0.596014 0.943253 0.347239 Cd\n0.941850 0.347269 0.594581 Cd\n0.058150 0.652731 0.405419 Cd\n0.752688 0.347269 0.405419 Cd\n0.247312 0.652731 0.594581 Cd\n0.345598 0.404214 0.749811 Cd\n0.654402 0.595786 0.250189 Cd\n0.345598 0.595786 0.941384 Cd\n0.654402 0.404214 0.058616 Cd\n0.589435 0.589435 0.000000 Cd\n0.410565 0.410565 0.000000 Cd\n0.594856 0.000000 0.594856 Cd\n0.405144 0.000000 0.405144 Cd\n0.000000 0.404287 0.404287 Cd\n0.000000 0.595713 0.595713 Cd\n0.778537 0.455322 0.918977 Cd\n0.463655 0.544678 0.323215 Cd\n0.221463 0.140440 0.676785 Cd\n0.536345 0.859560 0.081023 Cd\n0.860284 0.083728 0.542377 Cd\n0.139716 0.682093 0.223444 Cd\n0.541351 0.317907 0.457623 Cd\n0.458649 0.916272 0.776556 Cd\n0.318739 0.459486 0.540356 Cd\n0.919131 0.778384 0.459644 Cd\n0.080869 0.540514 0.859253 Cd\n0.681261 0.221616 0.140747 Cd\n0.221463 0.544678 0.081023 Cd\n0.536345 0.455322 0.676785 Cd\n0.778537 0.859560 0.323215 Cd\n0.463655 0.140440 0.918977 Cd\n0.139716 0.916272 0.457623 Cd\n0.860284 0.317907 0.776556 Cd\n0.458649 0.682093 0.542377 Cd\n0.541351 0.083728 0.223444 Cd\n0.681261 0.540514 0.459644 Cd\n0.080869 0.221616 0.540356 Cd\n0.919131 0.459486 0.140747 Cd\n0.318739 0.778384 0.859253 Cd\n0.500000 0.308719 0.808719 Cd\n0.500000 0.691281 0.191281 Cd\n0.692280 0.192280 0.500000 Cd\n0.307720 0.807720 0.500000 Cd\n0.189064 0.500000 0.689064 Cd\n0.810936 0.500000 0.310936 Cd\n0.914668 0.823784 0.909116 Cd\n0.085332 0.176216 0.090884 Cd\n0.085332 0.994448 0.909116 Cd\n0.914668 0.005552 0.090884 Cd\n",
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{
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{
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}