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{
"id": "mp-763182",
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"structure_string": "Li8 V4 O8 F4\n1.0\n3.032216 0.000000 0.000000\n0.000000 7.371425 0.000000\n0.000000 0.279396 10.335608\nLi V O F\n8 4 8 4\ndirect\n0.500000 0.872773 0.677154 Li\n0.500000 0.842369 0.171499 Li\n0.500000 0.159092 0.334564 Li\n0.500000 0.128199 0.812254 Li\n0.000000 0.841792 0.420148 Li\n0.000000 0.880164 0.915012 Li\n0.000000 0.156665 0.086272 Li\n0.000000 0.134404 0.591825 Li\n0.500000 0.499419 0.007153 V\n0.500000 0.498033 0.496368 V\n0.000000 0.500737 0.251029 V\n0.000000 0.481507 0.740110 V\n0.500000 0.345206 0.666041 O\n0.500000 0.346878 0.169428 O\n0.500000 0.652084 0.331282 O\n0.000000 0.347746 0.414775 O\n0.000000 0.370107 0.919050 O\n0.000000 0.655429 0.083254 O\n0.000000 0.640102 0.581106 O\n0.000000 0.996188 0.751409 O\n0.500000 0.651724 0.828127 F\n0.500000 0.002961 0.010503 F\n0.500000 0.996842 0.491008 F\n0.000000 0.999579 0.250627 F\n",
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{
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{
"id": "mp-763290",
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"structure_string": "V6 O8 F4\n1.0\n3.083080 0.000000 0.000000\n0.000000 4.670098 0.000000\n0.000000 0.000000 13.951030\nV O F\n6 8 4\ndirect\n0.500000 0.696378 0.007772 V\n0.500000 0.748833 0.332807 V\n0.500000 0.806223 0.660065 V\n0.000000 0.193777 0.160065 V\n0.000000 0.303622 0.507772 V\n0.000000 0.251167 0.832807 V\n0.000000 0.933578 0.268199 O\n0.000000 0.995254 0.594570 O\n0.500000 0.066422 0.768199 O\n0.500000 0.004746 0.094570 O\n0.500000 0.478891 0.566639 O\n0.500000 0.445851 0.903590 O\n0.000000 0.521109 0.066639 O\n0.000000 0.554149 0.403590 O\n0.000000 0.921707 0.936128 F\n0.500000 0.078293 0.436128 F\n0.500000 0.421630 0.230388 F\n0.000000 0.578370 0.730388 F\n",
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{
"id": "mp-752430",
"created_at": "2022-09-04T14:48:31.254069Z",
"structure_string": "Li16 Mn4 Si8 O28\n1.0\n0.000005 5.490430 -0.000017\n-13.486990 -0.000011 0.209915\n-0.637740 -0.000026 8.137220\nLi Mn Si O\n16 4 8 28\ndirect\n0.158614 0.421856 0.875556 Li\n0.658628 0.921877 0.875560 Li\n0.841390 0.421855 0.375557 Li\n0.341377 0.921874 0.375561 Li\n0.177359 0.293343 0.594278 Li\n0.677363 0.793357 0.594273 Li\n0.822649 0.293342 0.094284 Li\n0.322640 0.793360 0.094275 Li\n0.354719 0.223635 0.946912 Li\n0.854780 0.723653 0.946905 Li\n0.645274 0.223636 0.446905 Li\n0.145220 0.723653 0.446904 Li\n0.690187 0.495212 0.021175 Li\n0.190184 0.995223 0.021176 Li\n0.309819 0.495214 0.521178 Li\n0.809813 0.995222 0.521186 Li\n0.338637 0.649275 0.799225 Mn\n0.661363 0.649273 0.299223 Mn\n0.838511 0.149317 0.799251 Mn\n0.161479 0.149294 0.299273 Mn\n0.670000 0.365305 0.736711 Si\n0.170021 0.865313 0.736719 Si\n0.329999 0.365305 0.236709 Si\n0.829981 0.865314 0.236720 Si\n0.334467 0.073808 0.671380 Si\n0.834474 0.573819 0.671332 Si\n0.665532 0.073807 0.171376 Si\n0.165534 0.573821 0.171348 Si\n0.685636 0.473765 0.604860 O\n0.185635 0.973770 0.604859 O\n0.314361 0.473767 0.104860 O\n0.814365 0.973769 0.104860 O\n0.815656 0.388454 0.902275 O\n0.315659 0.888457 0.902277 O\n0.184346 0.388454 0.402274 O\n0.684342 0.888457 0.402278 O\n0.385277 0.337093 0.770143 O\n0.885272 0.837101 0.770144 O\n0.614723 0.337093 0.270144 O\n0.114730 0.837100 0.270144 O\n0.811409 0.279184 0.640085 O\n0.311406 0.779182 0.640092 O\n0.188589 0.279182 0.140088 O\n0.688592 0.779182 0.140091 O\n0.313287 0.165012 0.524578 O\n0.813220 0.664989 0.524539 O\n0.686713 0.165010 0.024575 O\n0.186781 0.664989 0.024542 O\n0.196531 0.106812 0.837201 O\n0.696619 0.606850 0.837174 O\n0.803467 0.106812 0.337200 O\n0.303364 0.606861 0.337201 O\n0.620081 0.042666 0.705330 O\n0.120111 0.542657 0.705313 O\n0.379918 0.042666 0.205330 O\n0.879891 0.542658 0.205312 O\n",
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"elements": [
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"density": 2.7687800158115072,
"density_atomic": 0.09305091747138124,
"volume": 601.8210407997683,
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"formula_full": "Li16 Mn4 Si8 O28",
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{
"id": "mp-8033",
"created_at": "2022-09-04T14:48:30.036219Z",
"structure_string": "Pu2 F6\n1.0\n2.070228 -3.585739 0.000000\n2.070228 3.585739 0.000000\n0.000000 0.000000 7.212300\nPu F\n2 6\ndirect\n0.666667 0.333333 0.750000 Pu\n0.333333 0.666667 0.250000 Pu\n0.666667 0.333333 0.422212 F\n0.666667 0.333333 0.077788 F\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n0.333333 0.666667 0.922212 F\n0.333333 0.666667 0.577788 F\n",
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{
"id": "mp-1105617",
"created_at": "2022-09-04T14:48:29.783677Z",
"structure_string": "Tc4 B16\n1.0\n2.655786 -4.599956 0.000000\n2.655786 4.599956 0.000000\n0.000000 0.000000 6.463218\nTc B\n4 16\ndirect\n0.333333 0.666667 0.250000 Tc\n0.666667 0.333333 0.750000 Tc\n0.000000 0.000000 0.250000 Tc\n0.000000 0.000000 0.750000 Tc\n0.336073 0.336073 0.500000 B\n0.663927 0.000000 0.500000 B\n0.000000 0.663927 0.500000 B\n0.663927 0.663927 0.500000 B\n0.000000 0.336073 0.500000 B\n0.336073 0.000000 0.500000 B\n0.663927 0.663927 0.000000 B\n0.336073 0.000000 0.000000 B\n0.000000 0.336073 0.000000 B\n0.336073 0.336073 0.000000 B\n0.000000 0.663927 0.000000 B\n0.663927 0.000000 0.000000 B\n0.333333 0.666667 0.881822 B\n0.666667 0.333333 0.118178 B\n0.666667 0.333333 0.381822 B\n0.333333 0.666667 0.618178 B\n",
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{
"id": "mp-1075240",
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"structure_string": "Mg6 Si8\n1.0\n5.684187 0.000000 0.000000\n-2.461434 6.767898 0.000000\n-1.578429 -3.006190 6.692694\nMg Si\n6 8\ndirect\n0.852441 0.573488 0.536948 Mg\n0.411474 0.757549 0.520721 Mg\n0.501149 0.225098 0.833103 Mg\n0.724939 0.726304 0.934369 Mg\n0.941745 0.943940 0.384175 Mg\n0.224136 0.250953 0.165783 Mg\n0.046044 0.348205 0.738458 Si\n0.269067 0.858155 0.906472 Si\n0.897294 0.527368 0.176006 Si\n0.303911 0.622767 0.087183 Si\n0.948469 0.004204 0.768494 Si\n0.571335 0.136398 0.464440 Si\n0.355330 0.384667 0.561124 Si\n0.699139 0.141174 0.169446 Si\n",
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{
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"structure_string": "Zn2 H4 Se4 O16\n1.0\n8.782132 0.000000 0.000000\n0.000000 5.165897 0.000000\n0.000000 4.172510 7.452841\nZn H Se O\n2 4 4 16\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.990647 0.424289 0.353397 H\n0.490647 0.575711 0.146603 H\n0.009353 0.575711 0.646603 H\n0.509353 0.424289 0.853397 H\n0.816237 0.667399 0.787766 Se\n0.316237 0.332601 0.712234 Se\n0.683763 0.667399 0.287766 Se\n0.183763 0.332601 0.212234 Se\n0.087965 0.304210 0.399801 O\n0.587965 0.695790 0.100199 O\n0.355671 0.656551 0.533446 O\n0.855671 0.343449 0.966554 O\n0.644329 0.343449 0.466554 O\n0.144329 0.656551 0.033446 O\n0.363289 0.043560 0.688930 O\n0.863289 0.956440 0.811070 O\n0.636711 0.956440 0.311070 O\n0.136711 0.043560 0.188930 O\n0.133567 0.316622 0.771062 O\n0.633567 0.683378 0.728938 O\n0.866433 0.683378 0.228938 O\n0.366433 0.316622 0.271062 O\n0.412035 0.304210 0.899801 O\n0.912035 0.695790 0.600199 O\n",
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{
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"structure_string": "Mg12 Zr2 Fe2\n1.0\n4.869875 0.000000 0.000000\n0.000000 6.141597 0.000000\n0.000000 0.000000 11.148528\nMg Zr Fe\n12 2 2\ndirect\n0.000000 0.258256 0.075074 Mg\n0.000000 0.741744 0.075074 Mg\n0.000000 0.000000 0.332919 Mg\n0.500000 0.744471 0.421141 Mg\n0.500000 0.255529 0.421141 Mg\n0.500000 0.000000 0.172512 Mg\n0.000000 0.758256 0.575074 Mg\n0.000000 0.241744 0.575074 Mg\n0.000000 0.500000 0.832919 Mg\n0.500000 0.244471 0.921141 Mg\n0.500000 0.755529 0.921141 Mg\n0.500000 0.500000 0.672512 Mg\n0.000000 0.500000 0.310835 Zr\n0.000000 0.000000 0.810835 Zr\n0.500000 0.500000 0.191304 Fe\n0.500000 0.000000 0.691304 Fe\n",
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{
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"structure_string": "Ni4 C8 O24\n1.0\n6.310321 0.000000 0.000000\n-3.155160 5.395171 0.000000\n0.000000 0.000000 18.980815\nNi C O\n4 8 24\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.250000 Ni\n0.500000 0.000000 0.750000 Ni\n0.000000 0.000000 0.159809 C\n0.000000 0.000000 0.840191 C\n0.000000 0.000000 0.340191 C\n0.000000 0.000000 0.659809 C\n0.500000 0.500000 0.409781 C\n0.500000 0.500000 0.590219 C\n0.000000 0.500000 0.090219 C\n0.000000 0.500000 0.909781 C\n0.328001 0.176679 0.000000 O\n0.671999 0.823321 0.000000 O\n0.848678 0.176679 0.500000 O\n0.151322 0.823321 0.500000 O\n0.311858 0.495713 0.410153 O\n0.688142 0.504287 0.589847 O\n0.688142 0.504287 0.410153 O\n0.183854 0.495713 0.089847 O\n0.311858 0.495713 0.589847 O\n0.816146 0.504287 0.910153 O\n0.816146 0.504287 0.089847 O\n0.183854 0.495713 0.910153 O\n0.183884 0.995436 0.160226 O\n0.816116 0.004564 0.839774 O\n0.816116 0.004564 0.160226 O\n0.811552 0.995436 0.339774 O\n0.183884 0.995436 0.839774 O\n0.188448 0.004564 0.660226 O\n0.188448 0.004564 0.339774 O\n0.811552 0.995436 0.660226 O\n0.338233 0.676466 0.250000 O\n0.661767 0.323534 0.750000 O\n0.661767 0.323534 0.250000 O\n0.338233 0.676466 0.750000 O\n",
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{
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}