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"structure_string": "Sr4 Ca28 Ti4 Mn28 O84\n1.0\n11.091888 -0.040869 -0.119773\n-0.054733 15.523308 -0.028718\n-0.117111 -0.018351 11.067299\nSr Ca Ti Mn O\n4 28 4 28 84\ndirect\n0.995110 0.113194 0.512920 Sr\n0.509914 0.385115 0.987266 Sr\n0.243362 0.386091 0.243697 Sr\n0.231499 0.121478 0.246410 Sr\n0.984688 0.116361 0.012027 Ca\n0.005261 0.623364 0.511924 Ca\n0.014665 0.620782 0.994188 Ca\n0.542780 0.126937 0.472752 Ca\n0.551208 0.126230 0.983858 Ca\n0.530351 0.630381 0.513004 Ca\n0.534533 0.621460 0.972303 Ca\n0.499827 0.380214 0.512367 Ca\n0.520270 0.859099 0.979762 Ca\n0.487373 0.864377 0.508139 Ca\n0.966392 0.389903 0.003515 Ca\n0.957527 0.390986 0.503608 Ca\n0.955165 0.875328 0.996499 Ca\n0.965610 0.869841 0.515366 Ca\n0.235255 0.406761 0.765059 Ca\n0.232525 0.880227 0.278837 Ca\n0.219969 0.871077 0.731389 Ca\n0.756076 0.385091 0.249929 Ca\n0.738428 0.385067 0.754713 Ca\n0.754743 0.863056 0.253982 Ca\n0.733231 0.865867 0.747422 Ca\n0.221892 0.108885 0.733228 Ca\n0.238599 0.623997 0.264626 Ca\n0.267787 0.629444 0.737021 Ca\n0.772374 0.117070 0.248000 Ca\n0.780694 0.124547 0.751106 Ca\n0.780989 0.620748 0.255656 Ca\n0.771734 0.622824 0.755682 Ca\n0.986863 0.990222 0.260954 Ti\n0.236790 0.984800 0.018581 Ti\n0.265990 0.231404 0.941414 Ti\n0.984122 0.254439 0.273602 Ti\n0.990440 0.993339 0.754881 Mn\n0.002969 0.501912 0.251551 Mn\n0.996946 0.500993 0.754299 Mn\n0.507309 0.984545 0.223037 Mn\n0.505110 0.993840 0.728149 Mn\n0.510119 0.495615 0.244056 Mn\n0.495738 0.501995 0.747142 Mn\n0.240359 0.999416 0.512305 Mn\n0.253569 0.520505 0.009612 Mn\n0.237553 0.496651 0.510429 Mn\n0.746222 0.998699 0.991448 Mn\n0.739989 0.996310 0.497410 Mn\n0.753262 0.504500 0.001124 Mn\n0.742995 0.503443 0.503093 Mn\n0.268871 0.246939 0.464884 Mn\n0.261077 0.751012 0.976838 Mn\n0.246203 0.749224 0.500445 Mn\n0.759249 0.250351 0.004053 Mn\n0.746369 0.251080 0.506402 Mn\n0.755390 0.745679 0.000590 Mn\n0.751441 0.746849 0.505063 Mn\n0.995736 0.258136 0.764973 Mn\n0.997690 0.748002 0.263753 Mn\n0.997484 0.749839 0.750341 Mn\n0.522325 0.256199 0.254055 Mn\n0.514529 0.247879 0.751590 Mn\n0.516694 0.752387 0.263371 Mn\n0.503067 0.746841 0.748288 Mn\n0.097972 0.770644 0.608638 O\n0.592737 0.254693 0.098419 O\n0.579082 0.251508 0.587495 O\n0.597335 0.760847 0.112240 O\n0.604507 0.763411 0.599850 O\n0.403879 0.201362 0.350816 O\n0.396944 0.181741 0.862531 O\n0.405293 0.702460 0.365892 O\n0.410250 0.730753 0.899393 O\n0.906519 0.241700 0.412744 O\n0.911903 0.240241 0.923665 O\n0.892611 0.730313 0.407980 O\n0.899712 0.733139 0.902814 O\n0.147665 0.251400 0.318498 O\n0.175888 0.253089 0.802752 O\n0.157718 0.747241 0.338205 O\n0.144976 0.738104 0.849429 O\n0.655323 0.219601 0.344234 O\n0.661194 0.229483 0.858352 O\n0.657755 0.725393 0.351345 O\n0.650712 0.728886 0.857755 O\n0.353115 0.762542 0.641133 O\n0.856639 0.268465 0.154055 O\n0.860310 0.274348 0.656243 O\n0.869030 0.770651 0.142611 O\n0.851203 0.771714 0.646975 O\n0.362675 0.517414 0.161067 O\n0.349545 0.496675 0.643836 O\n0.361592 0.019278 0.135843 O\n0.346262 0.997261 0.657221 O\n0.862501 0.486880 0.144891 O\n0.853324 0.480513 0.644118 O\n0.860291 0.976977 0.149449 O\n0.842865 0.980969 0.641653 O\n0.147153 0.005675 0.362252 O\n0.177543 0.004903 0.867993 O\n0.149287 0.507970 0.357076 O\n0.149071 0.526479 0.863223 O\n0.629358 0.020696 0.335054 O\n0.628243 0.033341 0.834553 O\n0.624379 0.529599 0.363193 O\n0.640437 0.513652 0.856969 O\n0.389898 0.514408 0.900352 O\n0.884641 0.009302 0.389487 O\n0.893091 0.011511 0.897170 O\n0.891655 0.518498 0.389881 O\n0.892132 0.517570 0.896280 O\n0.110770 0.480897 0.106077 O\n0.096818 0.475034 0.617484 O\n0.106304 0.970827 0.112371 O\n0.095804 0.980106 0.620542 O\n0.617844 0.493475 0.110059 O\n0.601338 0.487099 0.609759 O\n0.594827 0.990436 0.077113 O\n0.584420 0.993281 0.574288 O\n0.993641 0.378707 0.280954 O\n0.015795 0.379575 0.799547 O\n0.003952 0.871350 0.291721 O\n0.005816 0.873080 0.793806 O\n0.481633 0.378269 0.289451 O\n0.484044 0.374532 0.762735 O\n0.459196 0.874529 0.287899 O\n0.514264 0.872512 0.774560 O\n0.490063 0.625138 0.720451 O\n0.993565 0.125340 0.227897 O\n0.002236 0.128022 0.736110 O\n0.005804 0.627102 0.216241 O\n0.985387 0.625890 0.717817 O\n0.197035 0.146703 0.029527 O\n0.231830 0.128271 0.528275 O\n0.222461 0.651973 0.060333 O\n0.225310 0.623703 0.523321 O\n0.758334 0.123388 0.037019 O\n0.750480 0.124569 0.534128 O\n0.746439 0.627234 0.039898 O\n0.744441 0.625404 0.544603 O\n0.285658 0.373733 0.482123 O\n0.295427 0.330764 0.020985 O\n0.277925 0.879658 0.477989 O\n0.295060 0.874535 0.000237 O\n0.740896 0.377270 0.463609 O\n0.752196 0.375583 0.972081 O\n0.746373 0.871682 0.462231 O\n0.743811 0.872778 0.962773 O\n",
"nsites": 148,
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"elements": [
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],
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"density": 3.9622049104073356,
"density_atomic": 0.07767602323692777,
"volume": 1905.3498600020976,
"volume_molar": 7.752895306742517,
"formula_full": "Sr4 Ca28 Ti4 Mn28 O84",
"formula_reduced": "SrCa7TiMn7O21",
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"updated_at": "2021-11-28T01:34:59.897000Z",
"spacegroup": 1
},
{
"id": "mp-1182915",
"created_at": "2022-09-04T14:40:25.173370Z",
"structure_string": "Al8 O24\n1.0\n5.656224 0.000000 0.000000\n0.000000 8.576186 0.000000\n0.000000 7.421843 9.695697\nAl O\n8 24\ndirect\n0.037722 0.824022 0.674330 Al\n0.462278 0.824022 0.174330 Al\n0.962278 0.175978 0.325670 Al\n0.537722 0.175978 0.825670 Al\n0.446046 0.652512 0.847998 Al\n0.053954 0.652512 0.347998 Al\n0.553954 0.347488 0.152002 Al\n0.946046 0.347488 0.652002 Al\n0.291761 0.678938 0.706529 O\n0.208239 0.678938 0.206529 O\n0.708239 0.321062 0.293471 O\n0.791761 0.321062 0.793471 O\n0.805315 0.189551 0.193096 O\n0.694685 0.189551 0.693096 O\n0.194685 0.810449 0.806904 O\n0.305315 0.810449 0.306904 O\n0.411640 0.392731 0.998545 O\n0.088360 0.392731 0.498545 O\n0.588360 0.607269 0.001455 O\n0.911640 0.607269 0.501455 O\n0.937312 0.924705 0.494118 O\n0.562688 0.924705 0.994118 O\n0.062688 0.075295 0.505882 O\n0.437312 0.075295 0.005882 O\n0.774135 0.649116 0.774174 O\n0.725865 0.649116 0.274174 O\n0.225865 0.350884 0.225826 O\n0.274135 0.350884 0.725826 O\n0.293716 0.157364 0.278205 O\n0.206284 0.157364 0.778205 O\n0.706284 0.842636 0.721795 O\n0.793716 0.842636 0.221795 O\n",
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"volume": 470.32690860060234,
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"formula_full": "Al8 O24",
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{
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},
{
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"structure_string": "Li2 V2 Si4 O12\n1.0\n4.421377 4.933371 0.000000\n-4.421377 4.933371 0.000000\n0.000000 1.935443 5.004883\nLi V Si O\n2 2 4 12\ndirect\n0.743628 0.256372 0.750000 Li\n0.256372 0.743628 0.250000 Li\n0.097859 0.902141 0.750000 V\n0.902141 0.097859 0.250000 V\n0.208405 0.387139 0.730819 Si\n0.791595 0.612861 0.269181 Si\n0.387139 0.208405 0.230819 Si\n0.612861 0.791595 0.769181 Si\n0.202693 0.032009 0.350887 O\n0.641155 0.649685 0.066067 O\n0.350315 0.358845 0.433933 O\n0.358845 0.350315 0.933933 O\n0.649685 0.641155 0.566067 O\n0.884862 0.374273 0.333130 O\n0.797307 0.967991 0.649113 O\n0.032009 0.202693 0.850887 O\n0.625727 0.115138 0.166870 O\n0.115138 0.625727 0.666870 O\n0.374273 0.884862 0.833130 O\n0.967991 0.797307 0.149113 O\n",
"nsites": 20,
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"elements": [
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"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
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"density_atomic": 0.09160195578937619,
"volume": 218.33594957280988,
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"formula_full": "Li2 V2 Si4 O12",
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"updated_at": "2021-11-28T01:34:51.534000Z",
"spacegroup": 15
}
]
}