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{
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{
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"structure_string": "Sr1 Mg6 Cr1 O8\n1.0\n8.635323 0.000000 0.000000\n0.000000 4.540206 0.000000\n0.000000 0.000000 4.540206\nSr Mg Cr O\n1 6 1 8\ndirect\n-0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259251 0.000000 0.500000 Mg\n0.740749 0.000000 0.500000 Mg\n0.259251 0.500000 -0.000000 Mg\n0.740749 0.500000 0.000000 Mg\n-0.000000 0.500000 0.500000 Cr\n0.273582 -0.000000 -0.000000 O\n0.726418 0.000000 0.000000 O\n0.251794 0.500000 0.500000 O\n0.748206 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Sr1 Mg6 Cr1 O8",
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},
{
"id": "mp-554775",
"created_at": "2022-09-04T14:48:07.373901Z",
"structure_string": "Ca4 Cu4 O8\n1.0\n3.202863 0.000000 0.000000\n0.000000 5.460271 0.000000\n0.000000 0.000000 11.135066\nCa Cu O\n4 4 8\ndirect\n0.504628 0.975557 0.862706 Ca\n0.495372 0.475557 0.637294 Ca\n0.504628 0.024443 0.137294 Ca\n0.495372 0.524443 0.362706 Ca\n0.007072 0.484987 0.878117 Cu\n0.992928 0.015013 0.378117 Cu\n0.992928 0.984987 0.621883 Cu\n0.007072 0.515013 0.121883 Cu\n0.999015 0.773299 0.245691 O\n0.015549 0.756494 0.993897 O\n0.000985 0.273299 0.254309 O\n0.999015 0.226701 0.754309 O\n0.000985 0.726701 0.745691 O\n0.984451 0.743506 0.493897 O\n0.015549 0.243506 0.006103 O\n0.984451 0.256494 0.506103 O\n",
"nsites": 16,
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"density": 4.625902121163197,
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"formula_full": "Ca4 Cu4 O8",
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{
"id": "mp-1046817",
"created_at": "2022-09-04T14:48:06.996653Z",
"structure_string": "Ca8 Ni10 Te6 O36\n1.0\n4.467554 7.982934 0.000000\n-4.467554 7.982934 0.000000\n0.000000 0.659992 10.493594\nCa Ni Te O\n8 10 6 36\ndirect\n0.322714 0.039245 0.092300 Ca\n0.344529 0.661964 0.917504 Ca\n0.960755 0.677286 0.407700 Ca\n0.338036 0.655471 0.582496 Ca\n0.661964 0.344529 0.417504 Ca\n0.039245 0.322714 0.592300 Ca\n0.677286 0.960755 0.907700 Ca\n0.655471 0.338036 0.082496 Ca\n0.318770 0.995378 0.731798 Ni\n0.995378 0.318770 0.231798 Ni\n0.136731 0.521622 0.060542 Ni\n0.521622 0.136731 0.560542 Ni\n0.478378 0.863269 0.439458 Ni\n0.828868 0.171132 0.750000 Ni\n0.171132 0.828868 0.250000 Ni\n0.863269 0.478378 0.939458 Ni\n0.681230 0.004622 0.268202 Ni\n0.004622 0.681230 0.768202 Ni\n0.681883 0.661029 0.683602 Te\n0.000000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.661029 0.681883 0.183602 Te\n0.318117 0.338971 0.316398 Te\n0.338971 0.318117 0.816398 Te\n0.902664 0.611182 0.608404 O\n0.223396 0.963716 0.559954 O\n0.430613 0.789687 0.268445 O\n0.915927 0.953923 0.163797 O\n0.036284 0.776604 0.940046 O\n0.046077 0.084073 0.336203 O\n0.602394 0.608521 0.032677 O\n0.866070 0.226090 0.568129 O\n0.133930 0.773910 0.431871 O\n0.231170 0.288073 0.168902 O\n0.455340 0.735409 0.759023 O\n0.768830 0.711927 0.831098 O\n0.776604 0.036284 0.440046 O\n0.557029 0.900653 0.614421 O\n0.264591 0.544660 0.740977 O\n0.397606 0.391479 0.967323 O\n0.544660 0.264591 0.240977 O\n0.099347 0.442971 0.885579 O\n0.210313 0.569387 0.231555 O\n0.735409 0.455340 0.259023 O\n0.611182 0.902664 0.108404 O\n0.442971 0.099347 0.385579 O\n0.773910 0.133930 0.931871 O\n0.608521 0.602394 0.532677 O\n0.569387 0.210313 0.731555 O\n0.953923 0.915927 0.663797 O\n0.288073 0.231170 0.668902 O\n0.391479 0.397606 0.467323 O\n0.963716 0.223396 0.059954 O\n0.900653 0.557029 0.114421 O\n0.097336 0.388818 0.391596 O\n0.084073 0.046077 0.836203 O\n0.226090 0.866070 0.068129 O\n0.711927 0.768830 0.331098 O\n0.789687 0.430613 0.768445 O\n0.388818 0.097336 0.891596 O\n",
"nsites": 60,
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"elements": [
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],
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"volume": 748.4910336062313,
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"formula_full": "Ca8 Ni10 Te6 O36",
"formula_reduced": "Ca4Ni5(TeO6)3",
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"spacegroup": 15
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{
"id": "mp-1224874",
"created_at": "2022-09-04T14:48:07.033710Z",
"structure_string": "Gd2 Si3\n1.0\n1.990569 -3.447767 0.000000\n1.990569 3.447767 0.000000\n0.000000 0.000000 8.000023\nGd Si\n2 3\ndirect\n0.000000 0.000000 0.242659 Gd\n0.000000 0.000000 0.757341 Gd\n0.333333 0.666667 0.500000 Si\n0.666667 0.333333 0.000000 Si\n0.666667 0.333333 0.500000 Si\n",
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{
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"created_at": "2022-09-04T14:48:10.630762Z",
"structure_string": "La12 Si6 Ni4\n1.0\n4.565448 0.000000 0.000000\n0.000000 11.857430 0.000000\n0.000000 5.917092 10.332321\nLa Si Ni\n12 6 4\ndirect\n0.000000 0.768895 0.222868 La\n0.000000 0.235195 0.995559 La\n0.000000 0.999138 0.769781 La\n0.500000 0.233065 0.772834 La\n0.500000 0.767167 0.994347 La\n0.500000 0.993249 0.231808 La\n0.000000 0.142523 0.373232 La\n0.000000 0.378941 0.486199 La\n0.000000 0.486341 0.137271 La\n0.500000 0.862911 0.623371 La\n0.500000 0.615735 0.520632 La\n0.500000 0.521331 0.862238 La\n0.500000 0.334107 0.333595 Si\n0.000000 0.662713 0.672533 Si\n0.000000 0.844523 0.442672 Si\n0.500000 0.558956 0.288348 Si\n0.500000 0.287898 0.154444 Si\n0.500000 0.154849 0.556561 Si\n0.749553 0.000414 0.998312 Ni\n0.250447 0.000414 0.998312 Ni\n0.000000 0.438841 0.716975 Ni\n0.000000 0.712793 0.848108 Ni\n",
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{
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"structure_string": "Sc1 Sb3 Pb4 O13\n1.0\n6.562504 -3.789656 0.000000\n6.562504 3.789656 0.000000\n4.374087 0.000000 6.188320\nSc Sb Pb O\n1 3 4 13\ndirect\n0.499513 0.499513 0.499513 Sc\n0.000740 0.499504 0.499504 Sb\n0.499504 0.499504 0.000740 Sb\n0.499504 0.000740 0.499504 Sb\n0.999328 0.999328 0.999328 Pb\n0.502359 0.999494 0.999494 Pb\n0.999494 0.999494 0.502359 Pb\n0.999494 0.502359 0.999494 Pb\n0.835839 0.425585 0.425585 O\n0.424432 0.821811 0.821811 O\n0.425585 0.425585 0.835839 O\n0.821811 0.821811 0.424432 O\n0.821811 0.424432 0.821811 O\n0.425585 0.835839 0.425585 O\n0.167601 0.571989 0.571989 O\n0.573945 0.180223 0.180223 O\n0.571989 0.571989 0.167601 O\n0.180223 0.180223 0.573945 O\n0.180223 0.573945 0.180223 O\n0.571989 0.167601 0.571989 O\n0.124033 0.124033 0.124033 O\n",
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.891389 0.000000 0.000000\n0.000000 5.163932 0.000000\n0.000000 2.236721 19.288486\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.509778 0.993478 Li\n0.000000 0.616759 0.125141 Li\n0.500000 0.745619 0.250384 Li\n0.000000 0.878901 0.374088 Li\n0.500000 0.002578 0.502936 Li\n0.000000 0.390101 0.875447 Li\n0.500000 0.248117 0.749823 Li\n0.000000 0.125062 0.627794 Li\n0.500000 0.861200 0.874244 Li\n0.000000 0.983991 0.995056 Mn\n0.500000 0.371274 0.376785 Mn\n0.500000 0.120349 0.122864 Co\n0.000000 0.245229 0.248418 Co\n0.000000 0.514106 0.503258 Co\n0.500000 0.646194 0.627471 Co\n0.000000 0.753998 0.755998 Co\n0.500000 0.171628 0.943793 O\n0.000000 0.264814 0.063821 O\n0.500000 0.427288 0.189750 O\n0.000000 0.536439 0.316950 O\n0.500000 0.673933 0.446728 O\n0.000000 0.015830 0.803234 O\n0.500000 0.928628 0.689270 O\n0.000000 0.811485 0.568112 O\n0.500000 0.822383 0.055039 O\n0.000000 0.966343 0.181054 O\n0.500000 0.063602 0.305844 O\n0.000000 0.201854 0.434250 O\n0.500000 0.350345 0.559754 O\n0.000000 0.713911 0.941755 O\n0.500000 0.556973 0.808425 O\n0.000000 0.481287 0.689035 O\n",
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]
}