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{
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{
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"structure_string": "Li4 V16 P12 O48\n1.0\n6.523512 0.000000 0.000000\n0.000000 10.038114 0.000000\n0.000000 0.000000 14.419374\nLi V P O\n4 16 12 48\ndirect\n0.055410 0.739957 0.250000 Li\n0.444590 0.239957 0.750000 Li\n0.555410 0.760043 0.250000 Li\n0.944590 0.260043 0.750000 Li\n0.149865 0.451835 0.598094 V\n0.149865 0.451835 0.901906 V\n0.153400 0.846883 0.609346 V\n0.153400 0.846883 0.890654 V\n0.346600 0.346883 0.109346 V\n0.346600 0.346883 0.390654 V\n0.350135 0.951835 0.098094 V\n0.350135 0.951835 0.401906 V\n0.649865 0.048165 0.598094 V\n0.649865 0.048165 0.901906 V\n0.653400 0.653117 0.609346 V\n0.653400 0.653117 0.890654 V\n0.846600 0.153117 0.109346 V\n0.846600 0.153117 0.390654 V\n0.850135 0.548165 0.401906 V\n0.850135 0.548165 0.098094 V\n0.993951 0.403929 0.250000 P\n0.146542 0.130854 0.574696 P\n0.146542 0.130854 0.925304 P\n0.353458 0.630854 0.074696 P\n0.353458 0.630854 0.425304 P\n0.506049 0.903929 0.750000 P\n0.493951 0.096071 0.250000 P\n0.646542 0.369146 0.574696 P\n0.646542 0.369146 0.925304 P\n0.853458 0.869146 0.425304 P\n0.853458 0.869146 0.074696 P\n0.006049 0.596071 0.750000 P\n0.023840 0.962897 0.114529 O\n0.023840 0.962897 0.385471 O\n0.063388 0.445025 0.750000 O\n0.098263 0.651896 0.658867 O\n0.098263 0.651896 0.841133 O\n0.083120 0.207532 0.013741 O\n0.083120 0.207532 0.486259 O\n0.177733 0.524935 0.051565 O\n0.177733 0.524935 0.448435 O\n0.217469 0.234643 0.646142 O\n0.217469 0.234643 0.853858 O\n0.227234 0.381769 0.250000 O\n0.272766 0.881769 0.750000 O\n0.282531 0.734643 0.353858 O\n0.282531 0.734643 0.146142 O\n0.322267 0.024935 0.551565 O\n0.322267 0.024935 0.948435 O\n0.416880 0.707532 0.513741 O\n0.416880 0.707532 0.986259 O\n0.401737 0.151896 0.158867 O\n0.401737 0.151896 0.341133 O\n0.436612 0.945025 0.250000 O\n0.476160 0.462897 0.614529 O\n0.476160 0.462897 0.885471 O\n0.523840 0.537103 0.114529 O\n0.523840 0.537103 0.385471 O\n0.563388 0.054975 0.750000 O\n0.598263 0.848104 0.658867 O\n0.598263 0.848104 0.841133 O\n0.583120 0.292468 0.013741 O\n0.583120 0.292468 0.486259 O\n0.677733 0.975065 0.448435 O\n0.677733 0.975065 0.051565 O\n0.717469 0.265357 0.646142 O\n0.717469 0.265357 0.853858 O\n0.727234 0.118231 0.250000 O\n0.772766 0.618231 0.750000 O\n0.782531 0.765357 0.146142 O\n0.782531 0.765357 0.353858 O\n0.822267 0.475065 0.551565 O\n0.822267 0.475065 0.948435 O\n0.916880 0.792468 0.513741 O\n0.916880 0.792468 0.986259 O\n0.901737 0.348104 0.158867 O\n0.901737 0.348104 0.341133 O\n0.936612 0.554975 0.250000 O\n0.976160 0.037103 0.614529 O\n0.976160 0.037103 0.885471 O\n",
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{
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"created_at": "2022-09-04T14:48:07.982989Z",
"structure_string": "Al4 V1 Ni15\n1.0\n3.542131 0.000000 0.000000\n0.000000 3.542131 0.000000\n0.000000 0.000000 17.963394\nAl V Ni\n4 1 15\ndirect\n0.000000 0.000000 0.201876 Al\n0.000000 0.000000 0.399946 Al\n0.000000 0.000000 0.600054 Al\n0.000000 0.000000 0.798124 Al\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.199389 Ni\n0.500000 0.500000 0.399262 Ni\n0.500000 0.500000 0.600738 Ni\n0.500000 0.500000 0.800611 Ni\n0.500000 0.000000 0.097053 Ni\n0.500000 0.000000 0.299916 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.700084 Ni\n0.500000 0.000000 0.902947 Ni\n0.000000 0.500000 0.097053 Ni\n0.000000 0.500000 0.299916 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.700084 Ni\n0.000000 0.500000 0.902947 Ni\n",
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"formula_full": "Al4 V1 Ni15",
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"updated_at": "2021-11-28T01:38:31.667000Z",
"spacegroup": 123
},
{
"id": "mp-1222917",
"created_at": "2022-09-04T14:48:07.991179Z",
"structure_string": "La1 Gd3 Cl4 O4\n1.0\n3.984983 -6.919679 0.000000\n3.984983 6.919679 0.000000\n0.000000 0.000000 3.985996\nLa Gd Cl O\n1 3 4 4\ndirect\n0.159636 0.840364 0.000000 La\n0.668242 0.331758 0.000000 Gd\n0.583852 0.915660 0.500000 Gd\n0.084340 0.416148 0.500000 Gd\n0.934021 0.065979 0.000000 Cl\n0.433179 0.566821 0.000000 Cl\n0.807523 0.677318 0.500000 Cl\n0.322682 0.192477 0.500000 Cl\n0.251872 0.748128 0.500000 O\n0.751286 0.248714 0.500000 O\n0.997658 0.494291 0.000000 O\n0.505709 0.002342 0.000000 O\n",
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"formula_full": "La1 Gd3 Cl4 O4",
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{
"id": "mp-1183952",
"created_at": "2022-09-04T14:48:08.312569Z",
"structure_string": "Cs6 Sr2\n1.0\n5.171539 -8.957368 0.000000\n5.171539 8.957368 0.000000\n0.000000 0.000000 8.207572\nCs Sr\n6 2\ndirect\n0.170604 0.341209 0.250000 Cs\n0.658791 0.829396 0.250000 Cs\n0.170604 0.829396 0.250000 Cs\n0.829396 0.658791 0.750000 Cs\n0.341209 0.170604 0.750000 Cs\n0.829396 0.170604 0.750000 Cs\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n",
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{
"id": "mp-771187",
"created_at": "2022-09-04T14:48:07.992539Z",
"structure_string": "Li6 Fe3 Ni1 P6 O24\n1.0\n8.569826 0.000000 0.000000\n4.065423 7.597130 0.000000\n4.091117 2.446916 7.184861\nLi Fe Ni P O\n6 3 1 6 24\ndirect\n0.980133 0.011208 0.998898 Li\n0.245848 0.650781 0.852235 Li\n0.519492 0.504927 0.489483 Li\n0.780237 0.341681 0.153085 Li\n0.337868 0.155118 0.778957 Li\n0.157214 0.782071 0.340280 Li\n0.854980 0.860742 0.853154 Fe\n0.645386 0.647060 0.639852 Fe\n0.354086 0.352181 0.354551 Fe\n0.144902 0.146385 0.146971 Ni\n0.949141 0.546914 0.249694 P\n0.547667 0.250407 0.949406 P\n0.250508 0.950735 0.543594 P\n0.749489 0.042712 0.456197 P\n0.454245 0.748829 0.037616 P\n0.045187 0.461283 0.750971 P\n0.876268 0.515239 0.696591 O\n0.684116 0.886438 0.495432 O\n0.951242 0.730838 0.081402 O\n0.470909 0.692132 0.883976 O\n0.757389 0.575326 0.405728 O\n0.969175 0.389887 0.196562 O\n0.738417 0.092607 0.931990 O\n0.558396 0.417271 0.763498 O\n0.404524 0.755345 0.574335 O\n0.804015 0.006709 0.617960 O\n0.913044 0.053172 0.267561 O\n0.628925 0.789725 0.992668 O\n0.388053 0.197364 0.972397 O\n0.095192 0.931450 0.739179 O\n0.194526 0.972759 0.388996 O\n0.595844 0.238838 0.427331 O\n0.427321 0.594968 0.233713 O\n0.270617 0.916763 0.053333 O\n0.034082 0.618477 0.798860 O\n0.237664 0.425001 0.593424 O\n0.509465 0.307633 0.112160 O\n0.050831 0.273585 0.914096 O\n0.311316 0.111000 0.504559 O\n0.112284 0.503438 0.310307 O\n",
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{
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{
"id": "mp-1227927",
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"structure_string": "Ca4 Al8 Si16 O56\n1.0\n6.944877 9.698165 0.000000\n-6.944877 9.698165 0.000000\n0.000000 9.511436 9.853104\nCa Al Si O\n4 8 16 56\ndirect\n0.263208 0.258700 0.607061 Ca\n0.741300 0.736792 0.892939 Ca\n0.736792 0.741300 0.392939 Ca\n0.258700 0.263208 0.107061 Ca\n0.261460 0.585364 0.463301 Al\n0.414636 0.738540 0.036699 Al\n0.738540 0.414636 0.536699 Al\n0.585364 0.261460 0.963301 Al\n0.259204 0.932042 0.771191 Al\n0.067958 0.740796 0.728809 Al\n0.740796 0.067958 0.228809 Al\n0.932042 0.259204 0.271191 Al\n0.792069 0.551330 0.237867 Si\n0.448670 0.207931 0.262133 Si\n0.207931 0.448670 0.762133 Si\n0.551330 0.792069 0.737867 Si\n0.453905 0.273429 0.803648 Si\n0.726571 0.546095 0.696352 Si\n0.546095 0.726571 0.196352 Si\n0.273429 0.453905 0.303648 Si\n0.721119 0.966007 0.075247 Si\n0.033993 0.278881 0.424753 Si\n0.278881 0.033993 0.924753 Si\n0.966007 0.721119 0.575247 Si\n0.035536 0.211184 0.032299 Si\n0.788816 0.964464 0.467701 Si\n0.964464 0.788816 0.967701 Si\n0.211184 0.035536 0.532299 Si\n0.309362 0.878392 0.011068 O\n0.121608 0.690638 0.488932 O\n0.690638 0.121608 0.988932 O\n0.878392 0.309362 0.511068 O\n0.009452 0.264231 0.725829 O\n0.735769 0.990548 0.774171 O\n0.990548 0.735769 0.274171 O\n0.264231 0.009452 0.225829 O\n0.260263 0.058261 0.803616 O\n0.941739 0.739737 0.696384 O\n0.739737 0.941739 0.196384 O\n0.058261 0.260263 0.303616 O\n0.674055 0.617810 0.192437 O\n0.382190 0.325945 0.307563 O\n0.325945 0.382190 0.807563 O\n0.617810 0.674055 0.692437 O\n0.517982 0.255292 0.499867 O\n0.744708 0.482018 0.000133 O\n0.482018 0.744708 0.500133 O\n0.255292 0.517982 0.999867 O\n0.748109 0.529335 0.576015 O\n0.470665 0.251891 0.923985 O\n0.251891 0.470665 0.423985 O\n0.529335 0.748109 0.076015 O\n0.586012 0.327622 0.656912 O\n0.672378 0.413988 0.843088 O\n0.413988 0.672378 0.343088 O\n0.327622 0.586012 0.156912 O\n0.882389 0.170497 0.104529 O\n0.829503 0.117611 0.395471 O\n0.117611 0.829503 0.895471 O\n0.170497 0.882389 0.604529 O\n0.746726 0.944384 0.382799 O\n0.055616 0.253274 0.117201 O\n0.253274 0.055616 0.617201 O\n0.944384 0.746726 0.882799 O\n0.859899 0.916518 0.975626 O\n0.083482 0.140101 0.524374 O\n0.140101 0.083482 0.024374 O\n0.916518 0.859899 0.475626 O\n0.594251 0.870189 0.150087 O\n0.129811 0.405749 0.349913 O\n0.405749 0.129811 0.849913 O\n0.870189 0.594251 0.650087 O\n0.163722 0.592708 0.756870 O\n0.407292 0.836278 0.743130 O\n0.836278 0.407292 0.243130 O\n0.592708 0.163722 0.256870 O\n0.918420 0.661207 0.123475 O\n0.338793 0.081580 0.376525 O\n0.081580 0.338793 0.876525 O\n0.661207 0.918420 0.623475 O\n0.260838 0.455542 0.619162 O\n0.544458 0.739162 0.880838 O\n0.739162 0.544458 0.380838 O\n0.455542 0.260838 0.119162 O\n",
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