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{
"id": "mp-1110663",
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{
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"structure_string": "Li3 Ti2 Fe1 O6\n1.0\n15.706137 0.061159 0.037408\n9.625440 2.910696 0.043760\n9.625440 1.364738 2.571295\nLi Ti Fe O\n3 2 1 6\ndirect\n0.166667 0.500000 0.500000 Li\n0.501807 0.499351 0.499351 Li\n0.831526 0.500649 0.500649 Li\n0.015776 0.988937 0.988937 Ti\n0.317557 0.011063 0.011063 Ti\n0.666667 0.000000 0.000000 Fe\n0.220381 0.275501 0.275501 O\n0.582802 0.257938 0.257938 O\n0.112952 0.724499 0.724499 O\n0.944464 0.232352 0.232352 O\n0.388870 0.767648 0.767648 O\n0.750531 0.742062 0.742062 O\n",
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"formula_full": "Li3 Ti2 Fe1 O6",
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{
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"structure_string": "P8 H24 O24\n1.0\n7.149440 0.000000 0.000000\n0.000000 7.536093 0.000000\n0.000000 0.000000 11.866111\nP H O\n8 24 24\ndirect\n0.033420 0.511056 0.385911 P\n0.533420 0.488944 0.614089 P\n0.533420 0.988944 0.885911 P\n0.033420 0.011056 0.114089 P\n0.467220 0.578598 0.135701 P\n0.967220 0.421402 0.864299 P\n0.967220 0.921402 0.635701 P\n0.467220 0.078598 0.364299 P\n0.822185 0.730845 0.418345 H\n0.322185 0.269155 0.581655 H\n0.322185 0.769155 0.918345 H\n0.822185 0.230845 0.081655 H\n0.934825 0.339266 0.241331 H\n0.434825 0.660734 0.758669 H\n0.434825 0.160734 0.741331 H\n0.934825 0.839266 0.258669 H\n0.969997 0.508885 0.575226 H\n0.469997 0.491115 0.424774 H\n0.469997 0.991115 0.075226 H\n0.969997 0.008885 0.924774 H\n0.652787 0.460428 0.269005 H\n0.152787 0.539572 0.730995 H\n0.152787 0.039572 0.769005 H\n0.652787 0.960428 0.230995 H\n0.164882 0.559422 0.080621 H\n0.664882 0.440578 0.919379 H\n0.664882 0.940578 0.580621 H\n0.164882 0.059422 0.419379 H\n0.453072 0.305424 0.043399 H\n0.953072 0.694576 0.956601 H\n0.953072 0.194576 0.543399 H\n0.453072 0.805424 0.456601 H\n0.945315 0.716463 0.382245 O\n0.445315 0.283537 0.617755 O\n0.445315 0.783537 0.882245 O\n0.945315 0.216463 0.117755 O\n0.880915 0.404380 0.306873 O\n0.380915 0.595620 0.693127 O\n0.380915 0.095620 0.806873 O\n0.880915 0.904380 0.193127 O\n0.937795 0.442301 0.506053 O\n0.437795 0.557699 0.493947 O\n0.437795 0.057699 0.006053 O\n0.937795 0.942301 0.993947 O\n0.516208 0.476498 0.255402 O\n0.016208 0.523502 0.744598 O\n0.016208 0.023502 0.755402 O\n0.516208 0.976498 0.244598 O\n0.240875 0.560784 0.151178 O\n0.740875 0.439216 0.848822 O\n0.740875 0.939216 0.651178 O\n0.240875 0.060784 0.348822 O\n0.515009 0.422821 0.039428 O\n0.015009 0.577179 0.960572 O\n0.015009 0.077179 0.539428 O\n0.515009 0.922821 0.460572 O\n",
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{
"id": "mp-1027973",
"created_at": "2022-09-04T14:39:57.793411Z",
"structure_string": "Rb1 Mg14 Zn1\n1.0\n6.532099 -0.000000 -0.000000\n-3.266049 5.656963 0.000000\n-0.000000 0.000000 10.624972\nRb Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Rb\n0.162306 0.831152 0.125000 Mg\n0.174291 0.837145 0.625000 Mg\n0.668848 0.337694 0.125000 Mg\n0.662855 0.325709 0.625000 Mg\n0.668848 0.831152 0.125000 Mg\n0.662855 0.837145 0.625000 Mg\n0.336431 0.163569 0.355317 Mg\n0.336431 0.163569 0.894683 Mg\n0.336431 0.672863 0.355317 Mg\n0.336431 0.672863 0.894683 Mg\n0.827137 0.163569 0.355317 Mg\n0.827137 0.163569 0.894683 Mg\n0.833333 0.666667 0.379680 Mg\n0.833333 0.666667 0.870320 Mg\n0.166667 0.333333 0.125000 Zn\n",
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"elements": [
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],
"chemical_system": "Mg-Rb-Zn",
"density": 2.0772871069801258,
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"volume": 392.61229037386966,
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"formula_full": "Rb1 Mg14 Zn1",
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{
"id": "mp-1187097",
"created_at": "2022-09-04T14:39:57.808943Z",
"structure_string": "Sr2 Pd1 Pt1\n1.0\n0.000000 3.709824 3.709824\n3.709824 0.000000 3.709824\n3.709824 3.709824 0.000000\nSr Pd Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
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{
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"structure_string": "Cu1 Sn1 F6\n1.0\n-5.177910 0.000000 0.000000\n2.451175 4.667403 0.000000\n-0.021262 -2.840846 -4.701958\nCu Sn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Sn\n0.244531 0.368343 0.753461 F\n0.755469 0.631657 0.246539 F\n0.393803 0.001223 0.265679 F\n0.606197 0.998777 0.734321 F\n0.870686 0.610072 0.752524 F\n0.129314 0.389928 0.247476 F\n",
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"density": 4.329060578381936,
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"formula_full": "Cu1 Sn1 F6",
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{
"id": "mp-765981",
"created_at": "2022-09-04T14:39:49.972606Z",
"structure_string": "Li2 V2 Fe2 P8 O28\n1.0\n2.731566 -0.029958 6.736456\n-0.063789 8.169646 -0.044045\n-7.052095 0.030651 6.552283\nLi V Fe P O\n2 2 2 8 28\ndirect\n0.583654 0.372175 0.739031 Li\n0.083654 0.372175 0.239031 Li\n0.973084 0.512623 0.750719 V\n0.473084 0.512623 0.250719 V\n0.032660 0.002746 0.234683 Fe\n0.532660 0.002746 0.734683 Fe\n0.456073 0.187512 0.054325 P\n0.956073 0.187512 0.554325 P\n0.160783 0.782029 0.928703 P\n0.660783 0.782029 0.428703 P\n0.832979 0.287282 0.065859 P\n0.332979 0.287282 0.565859 P\n0.547236 0.691361 0.930069 P\n0.047236 0.691361 0.430069 P\n0.420961 0.346591 0.403184 O\n0.920961 0.346591 0.903184 O\n0.523153 0.679250 0.372995 O\n0.023153 0.679250 0.872995 O\n0.319417 0.051690 0.138056 O\n0.819417 0.051690 0.638056 O\n0.384758 0.356672 0.125790 O\n0.884758 0.356672 0.625790 O\n0.526939 0.666736 0.094347 O\n0.026939 0.666736 0.594347 O\n0.743976 0.432308 0.169590 O\n0.243976 0.432308 0.669590 O\n0.663516 0.155492 0.077773 O\n0.163516 0.155492 0.577773 O\n0.334115 0.650773 0.921895 O\n0.834115 0.650773 0.421895 O\n0.254124 0.928721 0.829937 O\n0.754124 0.928721 0.329937 O\n0.498079 0.195251 0.887156 O\n0.998079 0.195251 0.387156 O\n0.608195 0.864702 0.878642 O\n0.108195 0.864702 0.378642 O\n0.679331 0.559535 0.830270 O\n0.179331 0.559535 0.330270 O\n0.484495 0.202284 0.614989 O\n0.984495 0.202284 0.114989 O\n0.555757 0.824170 0.590778 O\n0.055757 0.824170 0.090778 O\n",
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{
"id": "mp-705291",
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"structure_string": "Li4 Cr4 P8 O28\n1.0\n7.950382 0.000000 0.000000\n0.000000 7.181091 0.000000\n0.000000 3.388486 8.898660\nLi Cr P O\n4 4 8 28\ndirect\n0.020210 0.302251 0.220783 Li\n0.520210 0.697749 0.279217 Li\n0.479790 0.302251 0.720783 Li\n0.979790 0.697749 0.779217 Li\n0.995494 0.740425 0.247347 Cr\n0.504506 0.740425 0.747347 Cr\n0.495494 0.259575 0.252653 Cr\n0.004506 0.259575 0.752653 Cr\n0.289756 0.669150 0.047923 P\n0.210244 0.669150 0.547923 P\n0.789756 0.330850 0.452077 P\n0.740863 0.916067 0.454653 P\n0.710244 0.330850 0.952077 P\n0.240863 0.083933 0.045347 P\n0.759137 0.916067 0.954653 P\n0.259137 0.083933 0.545347 P\n0.607552 0.378763 0.395608 O\n0.799371 0.315644 0.615648 O\n0.340735 0.879917 0.063951 O\n0.921552 0.458516 0.343417 O\n0.659265 0.120083 0.936049 O\n0.865514 0.799759 0.399555 O\n0.712680 0.806463 0.622717 O\n0.079847 0.027015 0.141628 O\n0.200629 0.684356 0.384352 O\n0.078448 0.541484 0.656583 O\n0.787320 0.806463 0.122717 O\n0.892448 0.378763 0.895608 O\n0.634486 0.799759 0.899555 O\n0.578448 0.458516 0.843417 O\n0.134486 0.200241 0.600445 O\n0.365514 0.200241 0.100445 O\n0.420153 0.027015 0.641628 O\n0.421552 0.541484 0.156583 O\n0.299371 0.684356 0.884352 O\n0.159265 0.879917 0.563951 O\n0.287320 0.193537 0.377283 O\n0.212680 0.193537 0.877283 O\n0.579847 0.972985 0.358372 O\n0.700629 0.315644 0.115648 O\n0.920153 0.972985 0.858372 O\n0.392448 0.621237 0.604392 O\n0.107552 0.621237 0.104392 O\n0.840735 0.120083 0.436049 O\n",
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{
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{
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"structure_string": "Na5 Cu1 S1 O2\n1.0\n4.577351 0.000000 0.000000\n0.000000 4.577351 0.000000\n0.000000 0.000000 8.207251\nNa Cu S O\n5 1 1 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.739246 Na\n0.500000 0.000000 0.260754 Na\n0.000000 0.500000 0.260754 Na\n0.500000 0.000000 0.739246 Na\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.220573 O\n0.000000 0.000000 0.779427 O\n",
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