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{
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"results": [
{
"id": "mp-1076190",
"created_at": "2022-09-04T14:43:23.692586Z",
"structure_string": "Sr16 Ca16 Mn20 Fe12 O80\n1.0\n-0.000449 -0.008214 11.037602\n11.167389 -0.001170 -0.000316\n-5.585171 15.811689 -5.529971\nSr Ca Mn Fe O\n16 16 20 12 80\ndirect\n0.308011 0.559691 0.611032 Sr\n0.807011 0.057438 0.608677 Sr\n0.810177 0.559319 0.610578 Sr\n0.195128 0.438714 0.386200 Sr\n0.199190 0.443042 0.893499 Sr\n0.696942 0.439723 0.386772 Sr\n0.697859 0.938190 0.387013 Sr\n0.699822 0.940491 0.892474 Sr\n0.060861 0.300030 0.610376 Sr\n0.059125 0.801633 0.610273 Sr\n0.558258 0.300963 0.610328 Sr\n0.556852 0.801104 0.608875 Sr\n0.445887 0.197991 0.387262 Sr\n0.449988 0.199891 0.890746 Sr\n0.948447 0.196971 0.386323 Sr\n0.948157 0.200278 0.891731 Sr\n0.305205 0.062932 0.105912 Ca\n0.306158 0.059842 0.604378 Ca\n0.307275 0.564842 0.108708 Ca\n0.804786 0.062965 0.105348 Ca\n0.806891 0.563082 0.107399 Ca\n0.199541 0.936882 0.392014 Ca\n0.202701 0.937604 0.897160 Ca\n0.702312 0.441449 0.897540 Ca\n0.055433 0.293419 0.106760 Ca\n0.056172 0.792926 0.106391 Ca\n0.554867 0.293001 0.105301 Ca\n0.554971 0.792579 0.105002 Ca\n0.448457 0.704792 0.392662 Ca\n0.450994 0.707012 0.896635 Ca\n0.948654 0.704740 0.390963 Ca\n0.951258 0.707458 0.897592 Ca\n0.005065 0.999437 0.498975 Mn\n0.002358 0.499401 0.497417 Mn\n0.256785 0.251417 0.003689 Mn\n0.252250 0.248256 0.498022 Mn\n0.107072 0.089998 0.244905 Mn\n0.117495 0.095188 0.754600 Mn\n0.109014 0.600806 0.247502 Mn\n0.114019 0.603983 0.755576 Mn\n0.607656 0.092853 0.245306 Mn\n0.609163 0.100231 0.749834 Mn\n0.607662 0.596427 0.246546 Mn\n0.612416 0.597785 0.754633 Mn\n0.358424 0.405894 0.246224 Mn\n0.365997 0.404593 0.754765 Mn\n0.355399 0.897203 0.247183 Mn\n0.360170 0.901531 0.751269 Mn\n0.857451 0.405483 0.244862 Mn\n0.861205 0.408111 0.754959 Mn\n0.859826 0.895620 0.244098 Mn\n0.866360 0.899577 0.751616 Mn\n0.008107 0.001501 0.003645 Fe\n0.006355 0.501991 0.003620 Fe\n0.506036 0.001341 0.003428 Fe\n0.501591 0.999099 0.497901 Fe\n0.506653 0.501664 0.002905 Fe\n0.501333 0.498373 0.496471 Fe\n0.256484 0.752131 0.002805 Fe\n0.251160 0.749379 0.497254 Fe\n0.756982 0.253509 0.004676 Fe\n0.753888 0.249776 0.498659 Fe\n0.756336 0.749921 0.002086 Fe\n0.753041 0.747661 0.496556 Fe\n0.127681 0.117378 0.491371 O\n0.130021 0.122194 0.993200 O\n0.118885 0.622288 0.489394 O\n0.123343 0.625134 0.993198 O\n0.624411 0.122753 0.493399 O\n0.625573 0.124362 0.995949 O\n0.621662 0.622825 0.490562 O\n0.624740 0.620802 0.990091 O\n0.138170 0.379771 0.015498 O\n0.131209 0.376756 0.505580 O\n0.135899 0.880445 0.011846 O\n0.130833 0.879633 0.503560 O\n0.637084 0.383329 0.015210 O\n0.631030 0.377258 0.504723 O\n0.633875 0.878179 0.012934 O\n0.627574 0.873504 0.501338 O\n0.370026 0.119315 0.491921 O\n0.372021 0.119750 0.992886 O\n0.374071 0.622144 0.491015 O\n0.378234 0.623534 0.993538 O\n0.878070 0.120553 0.494818 O\n0.877479 0.120971 0.994606 O\n0.876303 0.620965 0.491664 O\n0.874377 0.618480 0.989804 O\n0.384449 0.382139 0.014549 O\n0.378619 0.375996 0.504684 O\n0.385388 0.884348 0.013244 O\n0.377135 0.881822 0.505446 O\n0.884934 0.384905 0.013327 O\n0.881231 0.378689 0.503549 O\n0.887930 0.881562 0.013822 O\n0.882389 0.876820 0.502281 O\n0.086406 0.094052 0.134136 O\n0.084900 0.080396 0.639923 O\n0.078424 0.596889 0.134377 O\n0.073242 0.585267 0.640344 O\n0.580087 0.095987 0.134963 O\n0.574373 0.081682 0.633884 O\n0.576435 0.596605 0.134555 O\n0.573248 0.580544 0.637823 O\n0.436409 0.413835 0.363262 O\n0.445784 0.413078 0.868976 O\n0.435701 0.912172 0.363070 O\n0.444154 0.911127 0.866580 O\n0.932956 0.413252 0.357650 O\n0.943356 0.412384 0.867530 O\n0.939566 0.909752 0.358381 O\n0.946820 0.908648 0.866987 O\n0.330988 0.288702 0.131806 O\n0.327754 0.298961 0.640653 O\n0.327240 0.789066 0.134781 O\n0.318878 0.800171 0.634861 O\n0.834161 0.290679 0.134397 O\n0.826024 0.308260 0.638225 O\n0.831563 0.785018 0.132548 O\n0.824480 0.802490 0.634292 O\n0.181600 0.191928 0.358770 O\n0.193298 0.206121 0.870894 O\n0.191058 0.702477 0.363749 O\n0.200374 0.710374 0.869550 O\n0.687311 0.190776 0.362223 O\n0.686233 0.207359 0.865851 O\n0.694775 0.693413 0.362471 O\n0.698421 0.704555 0.866920 O\n0.429716 0.059558 0.240757 O\n0.429984 0.064107 0.743761 O\n0.430336 0.577956 0.249019 O\n0.440220 0.576668 0.759587 O\n0.928302 0.061120 0.238857 O\n0.940847 0.063502 0.750740 O\n0.928190 0.575108 0.248101 O\n0.939919 0.575851 0.760789 O\n0.174781 0.432223 0.240170 O\n0.192149 0.440238 0.752848 O\n0.179012 0.921929 0.247397 O\n0.189193 0.930521 0.760276 O\n0.676694 0.426707 0.239072 O\n0.687090 0.432824 0.759295 O\n0.681821 0.925342 0.239773 O\n0.691938 0.940585 0.752211 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.339740556016975,
"density_atomic": 0.07390723993083934,
"volume": 1948.3882788039687,
"volume_molar": 8.148241993119182,
"formula_full": "Sr16 Ca16 Mn20 Fe12 O80",
"formula_reduced": "Sr4Ca4Mn5Fe3O20",
"formula_anonymous": "A3B4C4D5E20",
"energy": -1095.08721686,
"energy_per_atom": -7.604772339305555,
"energy_above_hull": null,
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"energy_uncorrected": -979.69521686,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 139.6502319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.687000Z",
"spacegroup": 1
},
{
"id": "mp-559796",
"created_at": "2022-09-04T14:39:22.679732Z",
"structure_string": "Al16 Mo24 O96\n1.0\n9.205259 0.000000 0.000000\n0.000000 15.694390 0.000000\n0.000000 5.167637 14.854932\nAl Mo O\n16 24 96\ndirect\n0.528312 0.066494 0.815438 Al\n0.038325 0.821837 0.053543 Al\n0.971688 0.566494 0.815438 Al\n0.534161 0.564353 0.317777 Al\n0.476648 0.812689 0.577344 Al\n0.023352 0.312689 0.577344 Al\n0.034161 0.935647 0.682223 Al\n0.976648 0.687311 0.422656 Al\n0.538325 0.678163 0.946457 Al\n0.465839 0.435647 0.682223 Al\n0.961675 0.178163 0.946457 Al\n0.523352 0.187311 0.422656 Al\n0.471688 0.933506 0.184562 Al\n0.461675 0.321837 0.053543 Al\n0.965839 0.064353 0.317777 Al\n0.028312 0.433506 0.184562 Al\n0.377229 0.866212 0.780256 Mo\n0.113600 0.733884 0.617683 Mo\n0.388339 0.385589 0.256308 Mo\n0.252975 0.015147 0.982751 Mo\n0.247862 0.509130 0.487189 Mo\n0.252138 0.009130 0.487189 Mo\n0.378469 0.726940 0.131658 Mo\n0.888339 0.114411 0.743692 Mo\n0.611661 0.614411 0.743692 Mo\n0.613600 0.766116 0.382317 Mo\n0.621531 0.273060 0.868342 Mo\n0.121531 0.226940 0.131658 Mo\n0.877229 0.633788 0.219744 Mo\n0.747025 0.984853 0.017249 Mo\n0.752975 0.484853 0.017249 Mo\n0.122771 0.366212 0.780256 Mo\n0.752138 0.490870 0.512811 Mo\n0.111661 0.885589 0.256308 Mo\n0.747862 0.990870 0.512811 Mo\n0.622771 0.133788 0.219744 Mo\n0.386400 0.233884 0.617683 Mo\n0.886400 0.266116 0.382317 Mo\n0.247025 0.515147 0.982751 Mo\n0.878469 0.773060 0.868342 Mo\n0.186247 0.889247 0.767442 O\n0.204794 0.425556 0.250458 O\n0.179272 0.908188 0.985178 O\n0.359208 0.909948 0.501085 O\n0.626976 0.001224 0.923648 O\n0.362350 0.108042 0.451658 O\n0.637650 0.891958 0.548342 O\n0.094766 0.263993 0.872658 O\n0.192005 0.736711 0.096071 O\n0.069029 0.869310 0.151511 O\n0.569153 0.865019 0.290582 O\n0.904751 0.219594 0.654153 O\n0.610895 0.409183 0.011322 O\n0.488067 0.534551 0.724553 O\n0.975202 0.541998 0.203034 O\n0.011933 0.034551 0.724553 O\n0.430971 0.369310 0.151511 O\n0.807308 0.761430 0.396406 O\n0.476882 0.228972 0.518672 O\n0.404751 0.280406 0.345847 O\n0.173143 0.000363 0.594011 O\n0.673143 0.499637 0.405989 O\n0.614481 0.482605 0.595561 O\n0.498068 0.719905 0.044001 O\n0.930971 0.130690 0.848489 O\n0.396264 0.629385 0.230339 O\n0.686247 0.610753 0.232558 O\n0.405234 0.763993 0.872658 O\n0.976882 0.271028 0.481328 O\n0.055611 0.833121 0.640541 O\n0.062103 0.351021 0.678464 O\n0.704794 0.074444 0.749542 O\n0.422733 0.823570 0.162253 O\n0.603736 0.370615 0.769661 O\n0.295206 0.925556 0.250458 O\n0.023118 0.728972 0.518672 O\n0.905234 0.736007 0.127342 O\n0.326857 0.500363 0.594011 O\n0.103736 0.129385 0.230339 O\n0.024798 0.458002 0.796966 O\n0.646905 0.937834 0.119115 O\n0.820728 0.091812 0.014822 O\n0.095249 0.780406 0.345847 O\n0.577267 0.176430 0.837747 O\n0.922733 0.676430 0.837747 O\n0.988067 0.965449 0.275447 O\n0.885519 0.982605 0.595561 O\n0.385519 0.517395 0.404439 O\n0.192692 0.238570 0.603594 O\n0.853095 0.437834 0.119115 O\n0.595249 0.719594 0.654153 O\n0.475202 0.958002 0.796966 O\n0.077267 0.323570 0.162253 O\n0.313753 0.389247 0.767442 O\n0.140792 0.409948 0.501085 O\n0.937897 0.648979 0.321536 O\n0.524798 0.041998 0.203034 O\n0.862350 0.391958 0.548342 O\n0.444389 0.333121 0.640541 O\n0.126976 0.498776 0.076352 O\n0.896264 0.870615 0.769661 O\n0.562103 0.148979 0.321536 O\n0.813753 0.110753 0.232558 O\n0.137650 0.608042 0.451658 O\n0.692005 0.763289 0.903929 O\n0.555611 0.666879 0.359459 O\n0.110895 0.090817 0.988678 O\n0.679272 0.591812 0.014822 O\n0.889105 0.909183 0.011322 O\n0.373024 0.998776 0.076352 O\n0.114481 0.017395 0.404439 O\n0.826857 0.999637 0.405989 O\n0.001932 0.219905 0.044001 O\n0.795206 0.574444 0.749542 O\n0.353095 0.062166 0.880885 O\n0.873024 0.501224 0.923648 O\n0.594766 0.236007 0.127342 O\n0.692692 0.261430 0.396406 O\n0.069153 0.634981 0.709418 O\n0.389105 0.590817 0.988678 O\n0.640792 0.090052 0.498915 O\n0.307995 0.236711 0.096071 O\n0.146905 0.562166 0.880885 O\n0.307308 0.738570 0.603594 O\n0.998068 0.780095 0.955999 O\n0.430847 0.134981 0.709418 O\n0.437897 0.851021 0.678464 O\n0.501932 0.280095 0.955999 O\n0.930847 0.365019 0.290582 O\n0.944389 0.166879 0.359459 O\n0.569029 0.630690 0.848489 O\n0.320728 0.408188 0.985178 O\n0.523118 0.771028 0.481328 O\n0.511933 0.465449 0.275447 O\n0.807995 0.263289 0.903929 O\n0.859208 0.590052 0.498915 O\n",
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"elements": [
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"Mo",
"O"
],
"chemical_system": "Al-Mo-O",
"density": 3.3040522488125763,
"density_atomic": 0.06337059537870408,
"volume": 2146.1057638366974,
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"formula_full": "Al16 Mo24 O96",
"formula_reduced": "Al2(MoO4)3",
"formula_anonymous": "A2B3C12",
"energy": -1122.0491584799995,
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"updated_at": "2021-11-28T01:34:34.493000Z",
"spacegroup": 14
},
{
"id": "mp-1196561",
"created_at": "2022-09-04T14:39:42.590472Z",
"structure_string": "Ti42 Re50\n1.0\n0.000000 0.000000 8.453088\n12.554563 -7.248380 -2.817696\n0.000000 14.496760 -2.817696\nTi Re\n42 50\ndirect\n0.945893 0.391786 0.695893 Ti\n0.554107 0.304107 0.608214 Ti\n0.250000 0.304107 0.695893 Ti\n0.445893 0.695893 0.391786 Ti\n0.750000 0.695893 0.304107 Ti\n0.054107 0.608214 0.304107 Ti\n0.221299 0.771433 0.536660 Ti\n0.449866 0.765227 0.228567 Ti\n0.684639 0.463340 0.234773 Ti\n0.721299 0.536660 0.771433 Ti\n0.184639 0.234773 0.463340 Ti\n0.949866 0.228567 0.765227 Ti\n0.778701 0.228567 0.463340 Ti\n0.550134 0.234773 0.771433 Ti\n0.315361 0.536660 0.765227 Ti\n0.278701 0.463340 0.228567 Ti\n0.815361 0.765227 0.536660 Ti\n0.050134 0.771433 0.234773 Ti\n0.429362 0.116518 0.883977 Ti\n0.312844 0.767459 0.883482 Ti\n0.545385 0.116023 0.232541 Ti\n0.929362 0.883977 0.116518 Ti\n0.045385 0.232541 0.116023 Ti\n0.812844 0.883482 0.767459 Ti\n0.570638 0.883482 0.116023 Ti\n0.687156 0.232541 0.116518 Ti\n0.454615 0.883977 0.767459 Ti\n0.070638 0.116023 0.883482 Ti\n0.954615 0.767459 0.883977 Ti\n0.187156 0.116518 0.232541 Ti\n0.455803 0.515253 0.093237 Ti\n0.940551 0.577985 0.484747 Ti\n0.362566 0.906763 0.422015 Ti\n0.955803 0.093237 0.515253 Ti\n0.862566 0.422015 0.906763 Ti\n0.440551 0.484747 0.577985 Ti\n0.544197 0.484747 0.906763 Ti\n0.059449 0.422015 0.515253 Ti\n0.637434 0.093237 0.577985 Ti\n0.044197 0.906763 0.484747 Ti\n0.137434 0.577985 0.093237 Ti\n0.559449 0.515253 0.422015 Ti\n0.500000 0.000000 0.000000 Re\n0.000000 0.000000 0.000000 Re\n0.311334 0.122667 0.061334 Re\n0.188666 0.938666 0.877333 Re\n0.250000 0.938666 0.061334 Re\n0.811334 0.061334 0.122667 Re\n0.750000 0.061334 0.938666 Re\n0.688666 0.877333 0.938666 Re\n0.690716 0.881432 0.440716 Re\n0.809284 0.559284 0.118568 Re\n0.250000 0.559284 0.440716 Re\n0.190716 0.440716 0.881432 Re\n0.750000 0.440716 0.559284 Re\n0.309284 0.118568 0.559284 Re\n0.130672 0.937145 0.697282 Re\n0.193527 0.760137 0.062855 Re\n0.433390 0.302718 0.239863 Re\n0.630672 0.697282 0.937145 Re\n0.933390 0.239863 0.302718 Re\n0.693527 0.062855 0.760137 Re\n0.869328 0.062855 0.302718 Re\n0.806473 0.239863 0.937145 Re\n0.566610 0.697282 0.760137 Re\n0.369328 0.302718 0.062855 Re\n0.066610 0.760137 0.697282 Re\n0.306473 0.937145 0.239863 Re\n0.315494 0.293895 0.880199 Re\n0.021599 0.586304 0.706105 Re\n0.435295 0.119801 0.413696 Re\n0.815494 0.880199 0.293895 Re\n0.935295 0.413696 0.119801 Re\n0.521599 0.706105 0.586304 Re\n0.684506 0.706105 0.119801 Re\n0.978401 0.413696 0.293895 Re\n0.564705 0.880199 0.586304 Re\n0.184506 0.119801 0.706105 Re\n0.064705 0.586304 0.880199 Re\n0.478401 0.293895 0.413696 Re\n0.620490 0.357684 0.002903 Re\n0.262806 0.645219 0.642316 Re\n0.617587 0.997097 0.354781 Re\n0.120490 0.002903 0.357684 Re\n0.117587 0.354781 0.997097 Re\n0.762806 0.642316 0.645219 Re\n0.379510 0.642316 0.997097 Re\n0.737194 0.354781 0.357684 Re\n0.382413 0.002903 0.645219 Re\n0.879510 0.997097 0.642316 Re\n0.882413 0.645219 0.002903 Re\n0.237194 0.357684 0.354781 Re\n",
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"volume": 1538.4661302521645,
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"formula_full": "Ti42 Re50",
"formula_reduced": "Ti21Re25",
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"energy": -978.72540991,
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"updated_at": "2021-11-28T01:34:39.191000Z",
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},
{
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{
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{
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"updated_at": "2021-11-28T01:37:54.997000Z",
"spacegroup": 213
},
{
"id": "mp-1076182",
"created_at": "2022-09-04T14:40:43.968433Z",
"structure_string": "Sr24 Ca8 Mn20 Fe12 O80\n1.0\n0.000528 -0.014731 11.107780\n11.189149 0.006274 0.000732\n-5.586504 15.982496 -5.574567\nSr Ca Mn Fe O\n24 8 20 12 80\ndirect\n0.308076 0.059327 0.609674 Sr\n0.307900 0.558056 0.609851 Sr\n0.808355 0.058818 0.609928 Sr\n0.810548 0.558307 0.610535 Sr\n0.196373 0.439832 0.388543 Sr\n0.199342 0.442351 0.893585 Sr\n0.196639 0.941435 0.388414 Sr\n0.698597 0.441230 0.388807 Sr\n0.701088 0.442977 0.893136 Sr\n0.699049 0.940873 0.389688 Sr\n0.700063 0.941247 0.892518 Sr\n0.058334 0.299413 0.110172 Sr\n0.060803 0.301916 0.610413 Sr\n0.058853 0.800651 0.610959 Sr\n0.557385 0.300839 0.608694 Sr\n0.556552 0.799396 0.109597 Sr\n0.557919 0.800870 0.608731 Sr\n0.447696 0.197420 0.387685 Sr\n0.450816 0.200304 0.892863 Sr\n0.447106 0.697821 0.388296 Sr\n0.450462 0.701562 0.893827 Sr\n0.948287 0.196942 0.386538 Sr\n0.948563 0.200163 0.892517 Sr\n0.947164 0.696473 0.386963 Sr\n0.304375 0.061335 0.104119 Ca\n0.304900 0.562808 0.105525 Ca\n0.804002 0.061168 0.103272 Ca\n0.804650 0.562100 0.104446 Ca\n0.202706 0.938509 0.897746 Ca\n0.056885 0.791629 0.103383 Ca\n0.556567 0.292609 0.105077 Ca\n0.953372 0.708240 0.897773 Ca\n0.003683 0.000043 0.499790 Mn\n0.002837 0.499496 0.499029 Mn\n0.256663 0.250603 0.003082 Mn\n0.252350 0.249299 0.498907 Mn\n0.104960 0.089040 0.242303 Mn\n0.113751 0.094129 0.755456 Mn\n0.109136 0.598539 0.246457 Mn\n0.110898 0.604522 0.756148 Mn\n0.607877 0.098031 0.246729 Mn\n0.613632 0.096908 0.751372 Mn\n0.607089 0.591471 0.245665 Mn\n0.615064 0.598505 0.751590 Mn\n0.362930 0.402575 0.246729 Mn\n0.362881 0.406285 0.754497 Mn\n0.354010 0.900902 0.244910 Mn\n0.359888 0.903594 0.753035 Mn\n0.854144 0.400638 0.242938 Mn\n0.863747 0.407304 0.753025 Mn\n0.860109 0.901086 0.244749 Mn\n0.866760 0.898438 0.752033 Mn\n0.006979 0.000361 0.002449 Fe\n0.006221 0.502452 0.003048 Fe\n0.505355 0.002122 0.002817 Fe\n0.502583 0.000373 0.499431 Fe\n0.506604 0.500905 0.004859 Fe\n0.502859 0.499036 0.498384 Fe\n0.254607 0.751626 0.002060 Fe\n0.251133 0.749643 0.499262 Fe\n0.756114 0.252180 0.004181 Fe\n0.754105 0.250140 0.499256 Fe\n0.758037 0.751915 0.003882 Fe\n0.753962 0.749337 0.499837 Fe\n0.124837 0.123109 0.494634 O\n0.130142 0.119986 0.991940 O\n0.123224 0.621792 0.495388 O\n0.122376 0.624689 0.992525 O\n0.625773 0.123783 0.495292 O\n0.624992 0.124972 0.997122 O\n0.625793 0.623568 0.495363 O\n0.628106 0.622716 0.996192 O\n0.137428 0.379552 0.010378 O\n0.129829 0.376347 0.503901 O\n0.133883 0.878827 0.010053 O\n0.127595 0.877771 0.504036 O\n0.634160 0.379721 0.013588 O\n0.630800 0.376442 0.504657 O\n0.635879 0.881291 0.010397 O\n0.629323 0.876071 0.502695 O\n0.373732 0.123989 0.494904 O\n0.373372 0.121974 0.995102 O\n0.373675 0.621350 0.494898 O\n0.374813 0.620144 0.997000 O\n0.877312 0.121504 0.495841 O\n0.876259 0.119625 0.994445 O\n0.876443 0.621183 0.495167 O\n0.879382 0.624218 0.993904 O\n0.384525 0.379729 0.014377 O\n0.377629 0.375031 0.502621 O\n0.380377 0.886035 0.010375 O\n0.378074 0.877827 0.503090 O\n0.882138 0.385346 0.011097 O\n0.880948 0.377441 0.502458 O\n0.886830 0.880851 0.011996 O\n0.880313 0.878494 0.503264 O\n0.084967 0.086374 0.132598 O\n0.080847 0.082887 0.643076 O\n0.083285 0.591949 0.134118 O\n0.072715 0.584376 0.642133 O\n0.580029 0.091761 0.135407 O\n0.574479 0.081143 0.635471 O\n0.580621 0.587698 0.135310 O\n0.574206 0.580930 0.636151 O\n0.441599 0.419613 0.364141 O\n0.441087 0.417573 0.868842 O\n0.433968 0.922919 0.361350 O\n0.442040 0.917969 0.867386 O\n0.932648 0.418497 0.356753 O\n0.940275 0.412982 0.865511 O\n0.937762 0.919115 0.358125 O\n0.945992 0.908836 0.866704 O\n0.326378 0.288006 0.133330 O\n0.326208 0.307097 0.641815 O\n0.324994 0.790870 0.134712 O\n0.319500 0.805362 0.636549 O\n0.827301 0.287396 0.133224 O\n0.829995 0.309696 0.637497 O\n0.830280 0.789147 0.134270 O\n0.825808 0.803744 0.635101 O\n0.181035 0.186834 0.355903 O\n0.193070 0.203586 0.868566 O\n0.181641 0.694697 0.363566 O\n0.194777 0.708947 0.869387 O\n0.684678 0.193399 0.362970 O\n0.689328 0.198687 0.866314 O\n0.686470 0.690040 0.361837 O\n0.695595 0.698621 0.865518 O\n0.431444 0.061497 0.239287 O\n0.439571 0.062546 0.751467 O\n0.430342 0.568376 0.240279 O\n0.444705 0.566809 0.753120 O\n0.929974 0.064934 0.237953 O\n0.939778 0.064941 0.752174 O\n0.928291 0.561610 0.238228 O\n0.940055 0.578246 0.760652 O\n0.188886 0.440326 0.248463 O\n0.191823 0.442449 0.753686 O\n0.178560 0.922002 0.239957 O\n0.188113 0.931134 0.760269 O\n0.677071 0.422776 0.240482 O\n0.691408 0.434337 0.750881 O\n0.690627 0.937882 0.247934 O\n0.693418 0.935883 0.751645 O\n",
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"formula_full": "Sr24 Ca8 Mn20 Fe12 O80",
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}
]
}