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{
"id": "mp-603254",
"created_at": "2022-09-04T14:48:14.227585Z",
"structure_string": "P8 H72 Au8 C24 S24 Cl8\n1.0\n6.737618 0.000000 0.000000\n0.000000 15.833630 0.000000\n0.000000 0.000000 18.689212\nP H Au C S Cl\n8 72 8 24 24 8\ndirect\n0.276643 0.618254 0.645072 P\n0.776643 0.618254 0.854928 P\n0.223357 0.118254 0.645072 P\n0.776643 0.881746 0.354928 P\n0.223357 0.381746 0.145072 P\n0.723357 0.118254 0.854928 P\n0.276643 0.881746 0.145072 P\n0.723357 0.381746 0.354928 P\n0.563172 0.962493 0.926132 H\n0.595439 0.649759 0.295098 H\n0.314989 0.273099 0.943009 H\n0.595439 0.850241 0.795098 H\n0.420497 0.722312 0.064474 H\n0.791986 0.267823 0.743787 H\n0.685633 0.075420 0.411784 H\n0.840214 0.685737 0.318144 H\n0.717265 0.935835 0.001365 H\n0.782735 0.435835 0.001365 H\n0.034240 0.698359 0.990997 H\n0.404561 0.350241 0.704902 H\n0.659786 0.314263 0.818144 H\n0.185633 0.424580 0.588216 H\n0.814367 0.924580 0.911784 H\n0.314367 0.924580 0.588216 H\n0.063172 0.537507 0.073868 H\n0.563172 0.537507 0.426132 H\n0.063172 0.962493 0.573868 H\n0.782735 0.064165 0.501365 H\n0.404561 0.149759 0.204902 H\n0.208014 0.767823 0.756213 H\n0.340214 0.814263 0.681856 H\n0.217265 0.564165 0.998635 H\n0.579503 0.277688 0.935526 H\n0.840214 0.814263 0.818144 H\n0.465760 0.301641 0.490997 H\n0.436828 0.037507 0.073868 H\n0.685011 0.773099 0.556991 H\n0.159786 0.185738 0.181856 H\n0.936828 0.462493 0.926132 H\n0.814367 0.575420 0.411784 H\n0.282735 0.435835 0.498635 H\n0.314367 0.575420 0.088216 H\n0.659786 0.185738 0.318144 H\n0.095439 0.850241 0.704902 H\n0.079503 0.277688 0.564474 H\n0.034240 0.801641 0.490997 H\n0.291986 0.232177 0.256213 H\n0.314989 0.226901 0.443009 H\n0.095439 0.649759 0.204902 H\n0.534240 0.698359 0.509003 H\n0.814989 0.226901 0.056991 H\n0.217265 0.935835 0.498635 H\n0.420497 0.777688 0.564474 H\n0.708014 0.767823 0.743787 H\n0.208014 0.732177 0.256213 H\n0.965760 0.198359 0.509003 H\n0.920497 0.777688 0.935526 H\n0.465760 0.198359 0.990997 H\n0.079503 0.222312 0.064474 H\n0.579503 0.222312 0.435526 H\n0.965760 0.301641 0.009003 H\n0.282735 0.064165 0.998635 H\n0.436828 0.462493 0.573868 H\n0.185011 0.726901 0.443009 H\n0.904561 0.149759 0.295098 H\n0.185011 0.773099 0.943009 H\n0.814989 0.273099 0.556991 H\n0.936828 0.037507 0.426132 H\n0.904561 0.350241 0.795098 H\n0.685633 0.424580 0.911784 H\n0.708014 0.732177 0.243787 H\n0.340214 0.685737 0.181856 H\n0.920497 0.722312 0.435526 H\n0.717265 0.564165 0.501365 H\n0.534240 0.801641 0.009003 H\n0.791986 0.232177 0.243787 H\n0.685011 0.726901 0.056991 H\n0.291986 0.267823 0.756213 H\n0.159786 0.314263 0.681856 H\n0.185633 0.075420 0.088216 H\n0.723346 0.467665 0.257812 Au\n0.776654 0.532335 0.757812 Au\n0.223346 0.032335 0.742188 Au\n0.276654 0.967665 0.242188 Au\n0.776654 0.967665 0.257812 Au\n0.276654 0.532335 0.742188 Au\n0.723346 0.032335 0.757812 Au\n0.223346 0.467665 0.242188 Au\n0.304883 0.295326 0.702588 C\n0.195117 0.704674 0.202588 C\n0.548191 0.764391 0.058225 C\n0.215366 0.961233 0.553435 C\n0.451809 0.235609 0.941775 C\n0.784634 0.461233 0.946565 C\n0.695117 0.795326 0.797412 C\n0.804883 0.295326 0.797412 C\n0.284634 0.038767 0.053435 C\n0.048191 0.764391 0.441775 C\n0.304883 0.204674 0.202588 C\n0.284634 0.461233 0.553435 C\n0.951809 0.264391 0.058225 C\n0.195117 0.795326 0.702588 C\n0.048191 0.735609 0.941775 C\n0.804883 0.204674 0.297412 C\n0.715366 0.538767 0.446565 C\n0.548191 0.735609 0.558225 C\n0.715366 0.961233 0.946565 C\n0.451809 0.264391 0.441775 C\n0.784634 0.038767 0.446565 C\n0.951809 0.235609 0.558225 C\n0.695117 0.704674 0.297412 C\n0.215366 0.538767 0.053435 C\n0.923538 0.278978 0.357801 S\n0.923538 0.221022 0.857801 S\n0.434105 0.166136 0.864665 S\n0.688127 0.931791 0.453922 S\n0.434105 0.333864 0.364665 S\n0.565895 0.833864 0.135335 S\n0.688127 0.568209 0.953922 S\n0.423538 0.278978 0.142199 S\n0.311873 0.068209 0.546078 S\n0.934105 0.333864 0.135335 S\n0.423538 0.221022 0.642199 S\n0.576462 0.778978 0.357801 S\n0.576462 0.721022 0.857801 S\n0.076462 0.778978 0.142199 S\n0.934105 0.166136 0.635335 S\n0.811873 0.431791 0.453922 S\n0.065895 0.666136 0.864665 S\n0.811873 0.068209 0.953922 S\n0.311873 0.431791 0.046078 S\n0.076462 0.721022 0.642199 S\n0.188127 0.568209 0.546078 S\n0.188127 0.931791 0.046078 S\n0.065895 0.833864 0.364665 S\n0.565895 0.666136 0.635335 S\n0.283220 0.441631 0.841201 Cl\n0.283220 0.058369 0.341201 Cl\n0.216780 0.941631 0.841201 Cl\n0.783220 0.058369 0.158799 Cl\n0.716780 0.558369 0.158799 Cl\n0.216780 0.558369 0.341201 Cl\n0.716780 0.941631 0.658799 Cl\n0.783220 0.441631 0.658799 Cl\n",
"nsites": 144,
"nelements": 6,
"elements": [
"P",
"H",
"Au",
"C",
"S",
"Cl"
],
"chemical_system": "Au-C-Cl-H-P-S",
"density": 2.6964087008566255,
"density_atomic": 0.07222451350671122,
"volume": 1993.782900131536,
"volume_molar": 8.338084214911898,
"formula_full": "P8 H72 Au8 C24 S24 Cl8",
"formula_reduced": "PH9AuC3S3Cl",
"formula_anonymous": "ABCD3E3F9",
"energy": -694.64993394,
"energy_per_atom": -4.823957874583333,
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"energy_uncorrected": -677.66593394,
"band_gap": 2.8237,
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"is_magnetic": false,
"total_magnetization": 0.0836256,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.899000Z",
"spacegroup": 61
},
{
"id": "mp-1076866",
"created_at": "2022-09-04T14:41:31.091272Z",
"structure_string": "La28 Sm4 Co24 Ag8 O80\n1.0\n-0.013073 -0.004850 10.787673\n11.439087 -0.004577 -0.012392\n-5.719516 16.275081 -5.394134\nLa Sm Co Ag O\n28 4 24 8 80\ndirect\n0.306000 0.064422 0.112829 La\n0.310441 0.061847 0.613181 La\n0.310744 0.561785 0.613279 La\n0.806948 0.062457 0.611124 La\n0.809001 0.564930 0.111658 La\n0.811529 0.564555 0.613402 La\n0.197986 0.434019 0.386789 La\n0.195250 0.435249 0.887661 La\n0.196105 0.935416 0.385267 La\n0.195813 0.936407 0.887606 La\n0.699573 0.435382 0.388366 La\n0.698143 0.934594 0.385781 La\n0.695656 0.936947 0.887817 La\n0.061910 0.299210 0.114300 La\n0.059336 0.297387 0.611991 La\n0.058359 0.798335 0.612858 La\n0.559960 0.297628 0.112929 La\n0.561105 0.301308 0.615887 La\n0.559548 0.798649 0.113053 La\n0.558367 0.798350 0.612128 La\n0.448092 0.203235 0.389055 La\n0.448203 0.199958 0.886922 La\n0.444422 0.701490 0.383265 La\n0.447609 0.697216 0.886725 La\n0.946354 0.201397 0.384990 La\n0.943757 0.200978 0.888266 La\n0.945583 0.702797 0.387142 La\n0.946979 0.700457 0.886581 La\n0.306275 0.568814 0.109788 Sm\n0.808589 0.068375 0.111575 Sm\n0.695768 0.436160 0.891396 Sm\n0.060938 0.794447 0.109603 Sm\n0.007423 0.000826 0.002927 Co\n0.007691 0.000635 0.501198 Co\n0.008511 0.501188 0.003892 Co\n0.005049 0.498068 0.494844 Co\n0.509698 0.001897 0.005175 Co\n0.503516 0.997296 0.494144 Co\n0.509170 0.501720 0.004431 Co\n0.506540 0.500165 0.497862 Co\n0.256492 0.250945 0.999533 Co\n0.255370 0.247012 0.496564 Co\n0.259868 0.753877 0.005561 Co\n0.254546 0.747282 0.495708 Co\n0.760092 0.253360 0.006144 Co\n0.754672 0.247124 0.496331 Co\n0.760899 0.752957 0.003360 Co\n0.755579 0.749389 0.498333 Co\n0.106513 0.094558 0.247380 Co\n0.108570 0.099584 0.750171 Co\n0.103738 0.597173 0.248275 Co\n0.604023 0.096189 0.249692 Co\n0.607500 0.596904 0.248377 Co\n0.359599 0.903780 0.248417 Co\n0.862418 0.404290 0.249475 Co\n0.867491 0.900445 0.750508 Co\n0.127524 0.617140 0.750274 Ag\n0.621609 0.121573 0.750413 Ag\n0.624801 0.615388 0.751211 Ag\n0.370573 0.385519 0.249394 Ag\n0.377597 0.378042 0.750887 Ag\n0.368316 0.880223 0.750710 Ag\n0.872819 0.383185 0.750370 Ag\n0.870439 0.885507 0.248543 Ag\n0.123286 0.119437 0.482252 O\n0.118926 0.116327 0.982909 O\n0.120397 0.616842 0.475767 O\n0.123155 0.623338 0.993112 O\n0.621271 0.114926 0.476440 O\n0.625133 0.120686 0.991678 O\n0.623925 0.622093 0.481521 O\n0.624025 0.615642 0.986518 O\n0.143829 0.390839 0.023957 O\n0.135314 0.373577 0.507902 O\n0.137022 0.884194 0.020646 O\n0.139920 0.877841 0.517179 O\n0.641116 0.386548 0.022159 O\n0.639378 0.376554 0.515073 O\n0.646355 0.892769 0.028013 O\n0.635678 0.874696 0.510192 O\n0.367675 0.114232 0.477250 O\n0.373370 0.111299 0.982460 O\n0.367732 0.614873 0.474979 O\n0.375622 0.615882 0.992861 O\n0.869935 0.115001 0.479393 O\n0.873740 0.113886 0.990804 O\n0.870144 0.619125 0.482224 O\n0.871158 0.606428 0.981243 O\n0.389796 0.391654 0.020020 O\n0.384846 0.379184 0.512252 O\n0.394107 0.891373 0.024266 O\n0.382803 0.879751 0.509013 O\n0.894304 0.389481 0.022710 O\n0.883029 0.380476 0.509571 O\n0.895471 0.892969 0.025093 O\n0.885645 0.881534 0.515933 O\n0.091237 0.109632 0.139190 O\n0.079551 0.100833 0.634866 O\n0.093694 0.612349 0.141037 O\n0.077284 0.596398 0.619753 O\n0.596214 0.111403 0.143171 O\n0.578310 0.096461 0.620019 O\n0.589989 0.607561 0.138981 O\n0.573637 0.596303 0.619405 O\n0.458406 0.401970 0.376289 O\n0.463562 0.402732 0.879842 O\n0.442504 0.897085 0.360679 O\n0.463598 0.896736 0.878654 O\n0.942275 0.397435 0.362116 O\n0.960409 0.397254 0.878973 O\n0.957073 0.900377 0.375964 O\n0.950000 0.896367 0.865056 O\n0.332779 0.270960 0.123643 O\n0.327477 0.272520 0.621571 O\n0.330475 0.783291 0.136922 O\n0.335280 0.770312 0.622311 O\n0.834955 0.282896 0.138436 O\n0.827192 0.269543 0.621346 O\n0.843202 0.771799 0.123205 O\n0.837776 0.782190 0.636450 O\n0.196396 0.213877 0.358553 O\n0.196201 0.217411 0.865023 O\n0.194920 0.720135 0.356889 O\n0.206641 0.727066 0.880814 O\n0.695121 0.217627 0.359295 O\n0.708800 0.229738 0.880523 O\n0.699209 0.717114 0.359183 O\n0.705958 0.730965 0.882683 O\n0.414892 0.073270 0.250102 O\n0.389080 0.092269 0.750334 O\n0.418571 0.592723 0.244020 O\n0.393482 0.592518 0.750060 O\n0.918799 0.092907 0.245767 O\n0.916826 0.074248 0.749995 O\n0.915277 0.573344 0.249484 O\n0.889900 0.595783 0.750016 O\n0.140648 0.428754 0.250586 O\n0.142110 0.401594 0.749981 O\n0.166823 0.924906 0.243409 O\n0.136793 0.927948 0.750499 O\n0.673035 0.431143 0.250605 O\n0.644025 0.405514 0.755867 O\n0.640902 0.926883 0.249701 O\n0.679615 0.906957 0.750023 O\n",
"nsites": 144,
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"elements": [
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"Sm",
"Co",
"Ag",
"O"
],
"chemical_system": "Ag-Co-La-O-Sm",
"density": 6.656194476719021,
"density_atomic": 0.07172106185909921,
"volume": 2007.7784163722724,
"volume_molar": 8.39661405436369,
"formula_full": "La28 Sm4 Co24 Ag8 O80",
"formula_reduced": "La7SmCo6(AgO10)2",
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"energy": -1113.97054767,
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"updated_at": "2021-11-28T01:35:23.249000Z",
"spacegroup": 1
},
{
"id": "mp-1076197",
"created_at": "2022-09-04T14:41:53.349105Z",
"structure_string": "Sr16 Ca16 Mn24 Fe8 O80\n1.0\n-0.000685 -0.010189 11.000553\n11.107525 -0.002078 -0.000431\n-5.556019 15.884647 -5.514081\nSr Ca Mn Fe O\n16 16 24 8 80\ndirect\n0.309959 0.559074 0.611469 Sr\n0.807840 0.056929 0.609356 Sr\n0.810654 0.558200 0.611188 Sr\n0.196045 0.439841 0.386023 Sr\n0.200352 0.443646 0.893448 Sr\n0.697072 0.440106 0.386011 Sr\n0.698732 0.938418 0.386316 Sr\n0.700747 0.941861 0.892871 Sr\n0.060378 0.300693 0.610519 Sr\n0.060155 0.802860 0.610522 Sr\n0.559306 0.303055 0.610780 Sr\n0.559349 0.801480 0.610290 Sr\n0.446303 0.196801 0.386543 Sr\n0.451784 0.199720 0.891257 Sr\n0.947059 0.195000 0.386080 Sr\n0.948675 0.200263 0.892172 Sr\n0.304298 0.061824 0.105440 Ca\n0.306014 0.058784 0.604736 Ca\n0.306307 0.565224 0.107107 Ca\n0.803186 0.062930 0.104829 Ca\n0.806870 0.562646 0.106431 Ca\n0.199875 0.936279 0.391949 Ca\n0.202762 0.937617 0.897874 Ca\n0.703359 0.440935 0.898669 Ca\n0.053257 0.292172 0.105649 Ca\n0.055712 0.792388 0.106205 Ca\n0.553976 0.292033 0.104092 Ca\n0.554811 0.791799 0.104067 Ca\n0.448718 0.703070 0.392373 Ca\n0.450524 0.707938 0.897275 Ca\n0.950164 0.704896 0.391900 Ca\n0.951413 0.708837 0.898655 Ca\n0.004536 0.998819 0.498385 Mn\n0.001921 0.499279 0.497490 Mn\n0.501793 0.498897 0.497149 Mn\n0.257449 0.251554 0.003419 Mn\n0.252321 0.248069 0.497772 Mn\n0.252281 0.748837 0.497586 Mn\n0.752884 0.249546 0.498646 Mn\n0.752581 0.747168 0.496742 Mn\n0.106169 0.088485 0.244398 Mn\n0.118515 0.094362 0.756283 Mn\n0.105575 0.599821 0.245456 Mn\n0.114125 0.604576 0.755821 Mn\n0.604439 0.088698 0.242487 Mn\n0.608659 0.100667 0.749782 Mn\n0.605244 0.594642 0.244521 Mn\n0.613248 0.597804 0.757459 Mn\n0.353179 0.407188 0.242709 Mn\n0.365936 0.405943 0.755038 Mn\n0.353385 0.897092 0.247027 Mn\n0.360350 0.903566 0.753447 Mn\n0.855816 0.406441 0.244742 Mn\n0.860698 0.411865 0.757756 Mn\n0.858967 0.895016 0.242854 Mn\n0.867973 0.901374 0.753625 Mn\n0.008709 0.001069 0.003624 Fe\n0.006899 0.501628 0.002989 Fe\n0.506608 0.001264 0.003222 Fe\n0.501811 0.998925 0.498167 Fe\n0.507059 0.501776 0.003017 Fe\n0.257045 0.752449 0.003256 Fe\n0.757690 0.253677 0.004826 Fe\n0.757219 0.750137 0.001922 Fe\n0.128282 0.118550 0.494350 O\n0.131667 0.123630 0.995440 O\n0.121479 0.624068 0.489816 O\n0.125082 0.625323 0.993835 O\n0.625251 0.123188 0.494906 O\n0.628126 0.125697 0.997785 O\n0.620810 0.622081 0.490811 O\n0.625198 0.620735 0.990101 O\n0.139014 0.379832 0.015787 O\n0.130343 0.375041 0.503439 O\n0.136827 0.880094 0.011603 O\n0.130455 0.876564 0.499628 O\n0.637563 0.383275 0.015174 O\n0.627861 0.375931 0.501011 O\n0.634736 0.878037 0.013205 O\n0.626211 0.871185 0.498568 O\n0.370925 0.118194 0.492892 O\n0.373336 0.120881 0.994042 O\n0.375655 0.622699 0.492089 O\n0.379244 0.624391 0.995312 O\n0.877109 0.121835 0.496759 O\n0.879365 0.122222 0.996306 O\n0.874526 0.623062 0.492323 O\n0.875564 0.618724 0.990321 O\n0.384668 0.382009 0.013562 O\n0.378985 0.376612 0.502016 O\n0.385826 0.884279 0.013607 O\n0.377235 0.877513 0.502923 O\n0.884689 0.384302 0.012170 O\n0.877692 0.375219 0.501743 O\n0.889220 0.882766 0.014979 O\n0.880744 0.874487 0.500400 O\n0.090872 0.092905 0.135515 O\n0.088180 0.077908 0.642107 O\n0.078008 0.594848 0.133383 O\n0.070953 0.582575 0.640074 O\n0.580855 0.095024 0.133826 O\n0.572606 0.077276 0.632328 O\n0.577157 0.595374 0.133491 O\n0.575504 0.578931 0.642273 O\n0.428917 0.415940 0.354856 O\n0.444069 0.414390 0.868969 O\n0.434731 0.916325 0.363258 O\n0.446752 0.914825 0.868920 O\n0.930260 0.416891 0.357579 O\n0.946084 0.413660 0.869361 O\n0.937222 0.914461 0.357648 O\n0.950242 0.911487 0.869660 O\n0.332928 0.293274 0.131900 O\n0.329923 0.304564 0.640942 O\n0.326602 0.790191 0.135701 O\n0.319609 0.803770 0.638830 O\n0.838569 0.293792 0.135465 O\n0.824857 0.315454 0.642913 O\n0.833844 0.784539 0.132437 O\n0.823637 0.806451 0.637323 O\n0.180856 0.188978 0.358114 O\n0.194359 0.204827 0.872019 O\n0.190085 0.696939 0.358827 O\n0.203386 0.708836 0.869320 O\n0.682083 0.183844 0.357256 O\n0.685719 0.206366 0.866250 O\n0.690227 0.687789 0.358046 O\n0.702687 0.705786 0.868552 O\n0.427495 0.059109 0.239606 O\n0.427191 0.066516 0.744425 O\n0.428269 0.577664 0.246980 O\n0.439628 0.579820 0.761149 O\n0.928145 0.061739 0.237623 O\n0.941731 0.067154 0.751674 O\n0.929512 0.577061 0.247607 O\n0.940838 0.579030 0.762581 O\n0.176041 0.428555 0.238663 O\n0.191761 0.439291 0.753007 O\n0.177050 0.918862 0.247055 O\n0.186806 0.927314 0.761520 O\n0.676130 0.425118 0.237495 O\n0.685633 0.430303 0.761335 O\n0.681234 0.922087 0.238123 O\n0.692324 0.941775 0.753395 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.35500302025415,
"density_atomic": 0.0742200430365589,
"volume": 1940.1767246223408,
"volume_molar": 8.113900927049647,
"formula_full": "Sr16 Ca16 Mn24 Fe8 O80",
"formula_reduced": "Sr2Ca2Mn3FeO10",
"formula_anonymous": "AB2C2D3E10",
"energy": -1101.80955559,
"energy_per_atom": -7.651455247152778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -988.76955559,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 135.6918652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.003000Z",
"spacegroup": 1
},
{
"id": "mp-1076175",
"created_at": "2022-09-04T14:45:14.895319Z",
"structure_string": "Sr16 Ca16 Co28 Cu4 O80\n1.0\n0.000259 -0.007125 10.788740\n11.135277 -0.003691 0.000195\n-5.573055 15.619932 -5.403923\nSr Ca Co Cu O\n16 16 28 4 80\ndirect\n0.306889 0.562033 0.616061 Sr\n0.806476 0.061630 0.609828 Sr\n0.811514 0.562915 0.612626 Sr\n0.192909 0.435433 0.384683 Sr\n0.197606 0.443641 0.887634 Sr\n0.693855 0.435719 0.383205 Sr\n0.692809 0.935894 0.383844 Sr\n0.694156 0.936558 0.890054 Sr\n0.058727 0.297996 0.612995 Sr\n0.062577 0.801658 0.611668 Sr\n0.557286 0.302809 0.613393 Sr\n0.557116 0.804332 0.612414 Sr\n0.438254 0.197488 0.384824 Sr\n0.444831 0.196120 0.886869 Sr\n0.945949 0.196053 0.384306 Sr\n0.945333 0.202234 0.889838 Sr\n0.307639 0.067748 0.109414 Ca\n0.304741 0.056745 0.604484 Ca\n0.305583 0.569867 0.111983 Ca\n0.796726 0.064430 0.107313 Ca\n0.802923 0.566590 0.111768 Ca\n0.199264 0.932452 0.389747 Ca\n0.204559 0.933212 0.895626 Ca\n0.693957 0.440294 0.893898 Ca\n0.050318 0.292427 0.110052 Ca\n0.054395 0.794482 0.110977 Ca\n0.551504 0.287951 0.107117 Ca\n0.554147 0.792755 0.107775 Ca\n0.442620 0.708877 0.389677 Ca\n0.446880 0.705229 0.892968 Ca\n0.952130 0.704893 0.389144 Ca\n0.952106 0.711899 0.896461 Ca\n0.009342 0.004000 0.006635 Co\n0.004054 0.997633 0.496290 Co\n0.007021 0.503905 0.009628 Co\n0.004468 0.500828 0.502947 Co\n0.504934 0.998862 0.001759 Co\n0.501302 0.000262 0.497697 Co\n0.506340 0.499750 0.001689 Co\n0.502142 0.500304 0.503512 Co\n0.259315 0.254218 0.007808 Co\n0.254676 0.249893 0.506119 Co\n0.255964 0.751944 0.002056 Co\n0.255130 0.749874 0.500687 Co\n0.756545 0.254818 0.008244 Co\n0.749015 0.246840 0.493309 Co\n0.755204 0.749784 0.000885 Co\n0.751494 0.747589 0.493034 Co\n0.105127 0.086304 0.244179 Co\n0.115437 0.091817 0.753377 Co\n0.106495 0.595919 0.247110 Co\n0.604874 0.087220 0.243183 Co\n0.610493 0.099392 0.749863 Co\n0.606510 0.592962 0.245991 Co\n0.356340 0.410183 0.246309 Co\n0.352723 0.900206 0.245456 Co\n0.856238 0.407056 0.245469 Co\n0.858885 0.420587 0.757939 Co\n0.859649 0.898748 0.243576 Co\n0.868074 0.903985 0.752571 Co\n0.112862 0.605728 0.753495 Cu\n0.614434 0.607827 0.754462 Cu\n0.369498 0.406666 0.753337 Cu\n0.357877 0.903677 0.752776 Cu\n0.127943 0.119792 0.491148 O\n0.131391 0.133031 0.995144 O\n0.123210 0.623102 0.487046 O\n0.129927 0.634238 0.995751 O\n0.622313 0.127158 0.492552 O\n0.626007 0.126058 0.995315 O\n0.629984 0.630036 0.490555 O\n0.632924 0.626926 0.992590 O\n0.131515 0.392344 0.017969 O\n0.124662 0.380695 0.505365 O\n0.132458 0.889684 0.012689 O\n0.131605 0.876165 0.501155 O\n0.630812 0.388150 0.015327 O\n0.625455 0.382173 0.502734 O\n0.632507 0.882208 0.015481 O\n0.627770 0.877731 0.502579 O\n0.366408 0.111043 0.487919 O\n0.372899 0.111269 0.992265 O\n0.380827 0.617960 0.491230 O\n0.384960 0.616126 0.995241 O\n0.872760 0.117801 0.492506 O\n0.881822 0.113499 0.996550 O\n0.880457 0.614242 0.488213 O\n0.882079 0.610926 0.989871 O\n0.379653 0.378638 0.015820 O\n0.373341 0.374889 0.505704 O\n0.381399 0.875117 0.013106 O\n0.379592 0.876824 0.504494 O\n0.881065 0.383915 0.015166 O\n0.874920 0.375234 0.504290 O\n0.883776 0.872810 0.013486 O\n0.878323 0.868781 0.501123 O\n0.094881 0.101089 0.140311 O\n0.094333 0.085145 0.644186 O\n0.087359 0.607712 0.141371 O\n0.068532 0.585005 0.635394 O\n0.584098 0.099001 0.138381 O\n0.581195 0.092313 0.640905 O\n0.588667 0.606743 0.142085 O\n0.575239 0.584328 0.637394 O\n0.432569 0.407389 0.353921 O\n0.451513 0.409639 0.867735 O\n0.433933 0.899821 0.353691 O\n0.438917 0.904405 0.867849 O\n0.932589 0.403692 0.352419 O\n0.949364 0.400742 0.857808 O\n0.940741 0.900983 0.352632 O\n0.948740 0.900768 0.861160 O\n0.344257 0.289696 0.142607 O\n0.330220 0.291641 0.638376 O\n0.335382 0.787456 0.139723 O\n0.322591 0.798810 0.636748 O\n0.843449 0.287862 0.142349 O\n0.840918 0.307793 0.653323 O\n0.841609 0.782613 0.138521 O\n0.833726 0.800013 0.642352 O\n0.180430 0.196286 0.351079 O\n0.192244 0.209411 0.859179 O\n0.194263 0.701827 0.354540 O\n0.198450 0.707135 0.869300 O\n0.682892 0.193522 0.352201 O\n0.683074 0.211868 0.857399 O\n0.695677 0.695207 0.355859 O\n0.700453 0.704880 0.867826 O\n0.424446 0.055753 0.239943 O\n0.435937 0.054103 0.742385 O\n0.426110 0.572578 0.248238 O\n0.446948 0.569913 0.760946 O\n0.923081 0.056242 0.236922 O\n0.939031 0.061734 0.751150 O\n0.926510 0.570474 0.247720 O\n0.927010 0.575496 0.761886 O\n0.173705 0.432793 0.238906 O\n0.198270 0.454153 0.749790 O\n0.173412 0.925797 0.246957 O\n0.184843 0.935795 0.762011 O\n0.672472 0.429052 0.236866 O\n0.693279 0.438358 0.760516 O\n0.678333 0.927233 0.238706 O\n0.693302 0.946029 0.754016 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Co",
"Cu",
"O"
],
"chemical_system": "Ca-Co-Cu-O-Sr",
"density": 4.627403085952374,
"density_atomic": 0.07676481596946244,
"volume": 1875.8593788238113,
"volume_molar": 7.844923073085524,
"formula_full": "Sr16 Ca16 Co28 Cu4 O80",
"formula_reduced": "Sr4Ca4Co7CuO20",
"formula_anonymous": "AB4C4D7E20",
"energy": -973.93355894,
"energy_per_atom": -6.763427492638889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -873.10955894,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 99.9502837,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.658000Z",
"spacegroup": 1
},
{
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"created_at": "2022-09-04T14:48:14.046557Z",
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"id": "mp-1076881",
"created_at": "2022-09-04T14:45:56.765978Z",
"structure_string": "Ba12 Sr20 Co12 Cu20 O80\n1.0\n-0.050081 0.006244 11.219248\n11.171221 -0.006113 -0.051664\n-5.568302 16.260163 -5.575940\nBa Sr Co Cu O\n12 20 12 20 80\ndirect\n0.310533 0.055832 0.118797 Ba\n0.306565 0.554538 0.118981 Ba\n0.806665 0.059639 0.120887 Ba\n0.807211 0.554940 0.118201 Ba\n0.185411 0.947570 0.383348 Ba\n0.184280 0.941278 0.875471 Ba\n0.682553 0.437291 0.873318 Ba\n0.058636 0.315477 0.118228 Ba\n0.059864 0.810107 0.117338 Ba\n0.557274 0.310662 0.118850 Ba\n0.555717 0.812406 0.119713 Ba\n0.929866 0.687850 0.872739 Ba\n0.300316 0.058933 0.610525 Sr\n0.308211 0.554444 0.610842 Sr\n0.808187 0.054743 0.609751 Sr\n0.796467 0.556122 0.611459 Sr\n0.192567 0.446794 0.393162 Sr\n0.189675 0.434518 0.882342 Sr\n0.694372 0.444327 0.393116 Sr\n0.701243 0.947187 0.391268 Sr\n0.692623 0.940605 0.883845 Sr\n0.053768 0.304871 0.608802 Sr\n0.051049 0.804312 0.609495 Sr\n0.560012 0.304791 0.610659 Sr\n0.552748 0.799295 0.609295 Sr\n0.445603 0.193499 0.390539 Sr\n0.435599 0.190407 0.883187 Sr\n0.440337 0.694255 0.391913 Sr\n0.443930 0.694377 0.883638 Sr\n0.949309 0.196099 0.393125 Sr\n0.945680 0.191765 0.884804 Sr\n0.945264 0.698969 0.394155 Sr\n0.992319 0.001720 0.994230 Co\n0.994359 0.486270 0.982749 Co\n0.487784 0.994034 0.983015 Co\n0.501055 0.000321 0.502083 Co\n0.487169 0.491997 0.984915 Co\n0.496833 0.495755 0.497552 Co\n0.239376 0.738231 0.981927 Co\n0.249941 0.753260 0.503395 Co\n0.738369 0.239854 0.983134 Co\n0.752790 0.249820 0.500795 Co\n0.743206 0.747921 0.994275 Co\n0.748673 0.749662 0.497521 Co\n0.002394 0.004014 0.504997 Cu\n0.001438 0.501858 0.503351 Cu\n0.244643 0.244567 0.989850 Cu\n0.253695 0.253620 0.503805 Cu\n0.121144 0.112093 0.252008 Cu\n0.112241 0.100678 0.743920 Cu\n0.122586 0.607224 0.260721 Cu\n0.117827 0.591838 0.743122 Cu\n0.626332 0.112941 0.260165 Cu\n0.612096 0.092271 0.744744 Cu\n0.622402 0.609563 0.261189 Cu\n0.609954 0.605038 0.746179 Cu\n0.372336 0.398740 0.260096 Cu\n0.361352 0.398269 0.747854 Cu\n0.377101 0.898941 0.260318 Cu\n0.366572 0.898939 0.744642 Cu\n0.872119 0.403899 0.262793 Cu\n0.867253 0.390843 0.742834 Cu\n0.868636 0.895523 0.253050 Cu\n0.857262 0.903277 0.746981 Cu\n0.124736 0.130612 0.500238 O\n0.110519 0.115254 0.994365 O\n0.128127 0.633516 0.498497 O\n0.106837 0.611081 0.989483 O\n0.630277 0.127187 0.495786 O\n0.611970 0.108251 0.989525 O\n0.612956 0.617069 0.496388 O\n0.606457 0.613080 0.992567 O\n0.122900 0.367605 0.994412 O\n0.130166 0.377760 0.506014 O\n0.133169 0.860380 0.995948 O\n0.125729 0.880350 0.510096 O\n0.628162 0.358214 0.994887 O\n0.625255 0.378489 0.507861 O\n0.631491 0.862703 0.996844 O\n0.625010 0.874879 0.506164 O\n0.384231 0.120147 0.499924 O\n0.368346 0.122406 0.990296 O\n0.372282 0.616854 0.495149 O\n0.357233 0.626358 0.990384 O\n0.873791 0.121349 0.494347 O\n0.860584 0.133148 0.994478 O\n0.863308 0.628638 0.499818 O\n0.855563 0.632234 0.991923 O\n0.379289 0.381601 0.997406 O\n0.385012 0.381054 0.506000 O\n0.383802 0.878067 0.994029 O\n0.373604 0.872084 0.507978 O\n0.877523 0.383615 0.993974 O\n0.870001 0.375625 0.508343 O\n0.878564 0.885605 0.998108 O\n0.874957 0.879117 0.507030 O\n0.067388 0.083581 0.138715 O\n0.066073 0.089294 0.634931 O\n0.075694 0.588389 0.150650 O\n0.080054 0.586630 0.634060 O\n0.575984 0.088093 0.149546 O\n0.579265 0.084410 0.636108 O\n0.576648 0.586948 0.150517 O\n0.568375 0.588672 0.636989 O\n0.443788 0.408474 0.368656 O\n0.427259 0.410640 0.860334 O\n0.442137 0.912753 0.370295 O\n0.437977 0.912177 0.856282 O\n0.940865 0.416924 0.373066 O\n0.936757 0.407709 0.855029 O\n0.927690 0.903887 0.361424 O\n0.923731 0.928720 0.861211 O\n0.324737 0.312882 0.149393 O\n0.328065 0.307060 0.638296 O\n0.328040 0.808458 0.150024 O\n0.329986 0.797159 0.636521 O\n0.827031 0.314490 0.152401 O\n0.821467 0.292152 0.634113 O\n0.820732 0.809508 0.140199 O\n0.822882 0.801309 0.639027 O\n0.189691 0.205817 0.361854 O\n0.182943 0.191375 0.855318 O\n0.191746 0.699892 0.370898 O\n0.188192 0.685738 0.856021 O\n0.694248 0.209074 0.369746 O\n0.688610 0.184733 0.857960 O\n0.691522 0.707011 0.371636 O\n0.674328 0.698348 0.858684 O\n0.480203 0.039976 0.263762 O\n0.451527 0.055406 0.746256 O\n0.472565 0.542827 0.264254 O\n0.454579 0.545147 0.749388 O\n0.981892 0.035396 0.263823 O\n0.955421 0.048066 0.748055 O\n0.971141 0.546238 0.264372 O\n0.958563 0.530188 0.735093 O\n0.223981 0.469487 0.264046 O\n0.200917 0.438779 0.745753 O\n0.233602 0.985131 0.252094 O\n0.208444 0.959117 0.735661 O\n0.722016 0.470345 0.264840 O\n0.716606 0.469901 0.738411 O\n0.726471 0.975639 0.261110 O\n0.695524 0.940833 0.744910 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Co",
"Cu",
"O"
],
"chemical_system": "Ba-Co-Cu-O-Sr",
"density": 5.425462528544143,
"density_atomic": 0.07066114174706081,
"volume": 2037.8951774578388,
"volume_molar": 8.52256361998353,
"formula_full": "Ba12 Sr20 Co12 Cu20 O80",
"formula_reduced": "Ba3Sr5Co3(CuO4)5",
"formula_anonymous": "A3B3C5D5E20",
"energy": -899.77042925,
"energy_per_atom": -6.248405758680556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -825.15442925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 39.9844636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.240000Z",
"spacegroup": 1
},
{
"id": "mp-1076177",
"created_at": "2022-09-04T14:39:43.695137Z",
"structure_string": "Sr24 Ca8 Mn12 Fe20 O80\n1.0\n0.020252 -0.014809 11.147744\n11.306333 0.009063 0.021139\n-5.650961 15.792247 -5.604977\nSr Ca Mn Fe O\n24 8 12 20 80\ndirect\n0.307736 0.059009 0.608323 Sr\n0.307941 0.559191 0.608926 Sr\n0.807958 0.059736 0.609147 Sr\n0.808615 0.558697 0.610014 Sr\n0.195660 0.435362 0.389156 Sr\n0.199748 0.441794 0.893365 Sr\n0.197494 0.937888 0.389006 Sr\n0.697386 0.438158 0.389704 Sr\n0.700571 0.442144 0.893427 Sr\n0.697630 0.939301 0.389217 Sr\n0.700536 0.940906 0.893641 Sr\n0.056559 0.293998 0.109766 Sr\n0.057982 0.299444 0.608603 Sr\n0.058527 0.800942 0.609939 Sr\n0.557506 0.299499 0.608179 Sr\n0.557024 0.800176 0.110211 Sr\n0.557915 0.800298 0.608428 Sr\n0.445727 0.198798 0.387773 Sr\n0.450035 0.202226 0.893514 Sr\n0.443976 0.699126 0.386855 Sr\n0.449432 0.702017 0.893607 Sr\n0.946162 0.197726 0.386062 Sr\n0.950001 0.201399 0.893222 Sr\n0.945578 0.701549 0.388173 Sr\n0.301775 0.063200 0.104115 Ca\n0.300390 0.563978 0.105476 Ca\n0.804549 0.061643 0.105774 Ca\n0.800605 0.566722 0.104566 Ca\n0.202837 0.939577 0.898101 Ca\n0.056596 0.788675 0.103941 Ca\n0.553795 0.288323 0.103979 Ca\n0.953596 0.709131 0.897865 Ca\n0.113845 0.095160 0.753746 Mn\n0.110713 0.602322 0.753527 Mn\n0.606889 0.095473 0.246784 Mn\n0.613345 0.096570 0.752028 Mn\n0.615979 0.598274 0.751794 Mn\n0.359038 0.401286 0.246298 Mn\n0.363367 0.405402 0.752177 Mn\n0.352202 0.904273 0.244715 Mn\n0.360165 0.905071 0.753327 Mn\n0.864183 0.408711 0.753588 Mn\n0.861045 0.899468 0.246843 Mn\n0.866316 0.900038 0.752215 Mn\n0.007597 0.000171 0.003104 Fe\n0.003282 0.000141 0.499267 Fe\n0.005509 0.502576 0.002922 Fe\n0.003007 0.500162 0.500072 Fe\n0.505239 0.001771 0.002988 Fe\n0.502742 0.000254 0.499224 Fe\n0.507614 0.502841 0.006359 Fe\n0.503121 0.500785 0.499375 Fe\n0.256149 0.251907 0.003123 Fe\n0.253803 0.249936 0.500200 Fe\n0.254317 0.752155 0.002296 Fe\n0.252653 0.749935 0.499976 Fe\n0.756705 0.252602 0.005374 Fe\n0.752841 0.249721 0.499262 Fe\n0.757630 0.752565 0.003415 Fe\n0.753821 0.750053 0.500175 Fe\n0.106772 0.082577 0.243963 Fe\n0.103984 0.588340 0.245708 Fe\n0.604719 0.584315 0.244468 Fe\n0.850965 0.407006 0.244284 Fe\n0.124446 0.123655 0.493346 O\n0.127789 0.117610 0.990366 O\n0.122852 0.621902 0.492051 O\n0.121399 0.625538 0.991355 O\n0.624839 0.123863 0.495117 O\n0.626910 0.126616 0.998400 O\n0.624318 0.623507 0.492723 O\n0.627391 0.622264 0.994256 O\n0.136576 0.383347 0.012806 O\n0.129436 0.375860 0.503841 O\n0.134177 0.878952 0.011538 O\n0.129286 0.875730 0.503537 O\n0.636587 0.381085 0.017058 O\n0.629605 0.377060 0.504203 O\n0.636186 0.881279 0.010567 O\n0.628405 0.875317 0.502264 O\n0.374051 0.121435 0.493458 O\n0.375097 0.120895 0.994829 O\n0.373464 0.621836 0.493163 O\n0.374940 0.620866 0.997314 O\n0.875111 0.121900 0.494989 O\n0.876227 0.119517 0.995334 O\n0.873409 0.620007 0.491282 O\n0.879503 0.624618 0.995669 O\n0.387805 0.384158 0.016525 O\n0.379827 0.378294 0.504142 O\n0.379443 0.885288 0.009740 O\n0.379816 0.877825 0.504294 O\n0.882360 0.387240 0.014606 O\n0.878965 0.377385 0.502559 O\n0.887979 0.882561 0.013897 O\n0.880046 0.878258 0.504698 O\n0.096709 0.095156 0.138737 O\n0.078752 0.080404 0.637777 O\n0.091320 0.603593 0.140280 O\n0.070564 0.583227 0.635965 O\n0.580078 0.091562 0.135599 O\n0.575255 0.082766 0.636265 O\n0.592989 0.600882 0.140276 O\n0.575604 0.584549 0.635796 O\n0.438502 0.419435 0.361565 O\n0.441010 0.415169 0.867340 O\n0.433469 0.921344 0.360337 O\n0.444391 0.916815 0.867365 O\n0.935498 0.407348 0.355519 O\n0.939994 0.412466 0.867150 O\n0.939292 0.919516 0.363089 O\n0.944894 0.906604 0.866543 O\n0.327143 0.288707 0.136018 O\n0.325266 0.303078 0.636299 O\n0.324847 0.790859 0.135375 O\n0.320830 0.803501 0.636862 O\n0.835233 0.281087 0.141101 O\n0.829044 0.308133 0.637631 O\n0.828662 0.789531 0.135496 O\n0.825609 0.801323 0.635254 O\n0.190330 0.195050 0.355578 O\n0.192125 0.205346 0.866899 O\n0.185382 0.700922 0.356632 O\n0.193532 0.709191 0.867102 O\n0.682598 0.195115 0.362379 O\n0.690165 0.201026 0.867571 O\n0.688221 0.697764 0.355207 O\n0.697263 0.700876 0.866594 O\n0.430211 0.058750 0.238986 O\n0.440987 0.061351 0.751418 O\n0.430282 0.556457 0.238939 O\n0.444701 0.564087 0.752264 O\n0.934218 0.056552 0.239041 O\n0.942291 0.062098 0.752123 O\n0.924994 0.559026 0.238521 O\n0.940996 0.575475 0.760205 O\n0.181894 0.436352 0.248149 O\n0.191690 0.443118 0.752022 O\n0.174244 0.922251 0.240542 O\n0.190400 0.933603 0.760008 O\n0.673315 0.424469 0.240081 O\n0.691511 0.436392 0.750928 O\n0.690801 0.940852 0.248555 O\n0.695243 0.938660 0.752022 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.572226918492503,
"density_atomic": 0.07235879400890467,
"volume": 1990.0829190475308,
"volume_molar": 8.32261073789994,
"formula_full": "Sr24 Ca8 Mn12 Fe20 O80",
"formula_reduced": "Sr6Ca2Mn3(FeO4)5",
"formula_anonymous": "A2B3C5D6E20",
"energy": -1080.14116868,
"energy_per_atom": -7.500980338055555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -960.04516868,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 147.6916823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.984000Z",
"spacegroup": 1
},
{
"id": "mp-1203710",
"created_at": "2022-09-04T14:45:20.961462Z",
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"elements": [
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],
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"updated_at": "2021-11-28T01:36:57.887000Z",
"spacegroup": 135
},
{
"id": "mp-1099812",
"created_at": "2022-09-04T14:44:18.823894Z",
"structure_string": "Ba16 Sr16 Co8 Cu24 O80\n1.0\n0.037020 0.011028 11.256016\n11.205442 -0.003024 0.038694\n-5.625116 16.228002 -5.632457\nBa Sr Co Cu O\n16 16 8 24 80\ndirect\n0.305993 0.055190 0.117696 Ba\n0.304204 0.059349 0.618031 Ba\n0.305015 0.557224 0.115820 Ba\n0.805809 0.059449 0.117387 Ba\n0.808193 0.552666 0.115685 Ba\n0.189356 0.946402 0.387171 Ba\n0.186905 0.942124 0.878071 Ba\n0.686503 0.437265 0.876393 Ba\n0.053786 0.313315 0.119066 Ba\n0.058590 0.808378 0.115720 Ba\n0.558642 0.310977 0.119714 Ba\n0.554484 0.810570 0.117095 Ba\n0.441322 0.688682 0.385157 Ba\n0.437677 0.690566 0.878597 Ba\n0.938526 0.690189 0.385828 Ba\n0.934201 0.687955 0.875937 Ba\n0.306832 0.552115 0.607964 Sr\n0.808047 0.060273 0.610331 Sr\n0.801989 0.555156 0.607904 Sr\n0.197685 0.445313 0.394499 Sr\n0.191761 0.438426 0.885234 Sr\n0.697195 0.446145 0.394755 Sr\n0.699963 0.948788 0.394012 Sr\n0.689934 0.944113 0.884544 Sr\n0.053316 0.306668 0.608679 Sr\n0.052219 0.799488 0.607129 Sr\n0.558401 0.307538 0.609066 Sr\n0.553691 0.798473 0.608463 Sr\n0.450749 0.199497 0.393910 Sr\n0.440977 0.193657 0.888767 Sr\n0.946518 0.197268 0.394528 Sr\n0.945289 0.197197 0.887538 Sr\n0.990574 0.998332 0.990197 Co\n0.993187 0.493506 0.987781 Co\n0.493748 0.995454 0.989673 Co\n0.503408 0.002404 0.503317 Co\n0.493251 0.494150 0.990557 Co\n0.240491 0.742680 0.985365 Co\n0.741369 0.240879 0.984503 Co\n0.745398 0.748505 0.996287 Co\n0.000847 0.003783 0.505448 Cu\n0.002812 0.500439 0.502759 Cu\n0.502260 0.500422 0.502470 Cu\n0.246151 0.247641 0.994622 Cu\n0.252664 0.252336 0.502779 Cu\n0.252164 0.751063 0.504489 Cu\n0.752743 0.252177 0.502040 Cu\n0.752244 0.754728 0.506567 Cu\n0.118484 0.108089 0.254413 Cu\n0.108946 0.101250 0.747492 Cu\n0.120942 0.600068 0.254738 Cu\n0.114199 0.591001 0.745162 Cu\n0.620627 0.106194 0.257038 Cu\n0.617072 0.094992 0.747950 Cu\n0.619291 0.604053 0.252351 Cu\n0.614762 0.602283 0.746787 Cu\n0.370121 0.393402 0.252780 Cu\n0.361948 0.399048 0.747354 Cu\n0.374874 0.906001 0.258277 Cu\n0.367043 0.903801 0.748800 Cu\n0.870742 0.395326 0.257976 Cu\n0.866850 0.394005 0.744118 Cu\n0.865280 0.903120 0.252137 Cu\n0.858796 0.909052 0.749020 Cu\n0.120702 0.130365 0.499467 O\n0.109290 0.116196 0.995032 O\n0.127914 0.625123 0.501456 O\n0.117280 0.618723 0.991202 O\n0.626731 0.127084 0.497626 O\n0.618596 0.117887 0.989531 O\n0.625860 0.626381 0.500298 O\n0.611255 0.613973 0.995098 O\n0.112403 0.380790 0.995786 O\n0.128326 0.376582 0.504461 O\n0.129138 0.863975 0.996539 O\n0.123177 0.876410 0.508046 O\n0.629474 0.359607 0.995797 O\n0.627687 0.378012 0.505527 O\n0.616452 0.881208 0.997118 O\n0.624345 0.886637 0.508490 O\n0.384941 0.121152 0.499895 O\n0.381299 0.114359 0.994210 O\n0.372716 0.619701 0.500138 O\n0.357296 0.628913 0.992977 O\n0.873283 0.123986 0.497397 O\n0.861512 0.128826 0.992972 O\n0.870954 0.623685 0.500874 O\n0.876103 0.613791 0.992986 O\n0.378827 0.381329 0.996887 O\n0.378682 0.375976 0.504296 O\n0.372828 0.876643 0.998763 O\n0.378879 0.876835 0.508639 O\n0.873702 0.373086 0.996089 O\n0.876734 0.378827 0.506110 O\n0.879153 0.885055 0.997589 O\n0.873602 0.881421 0.508208 O\n0.068286 0.085107 0.142759 O\n0.059809 0.091464 0.638209 O\n0.076164 0.584221 0.145170 O\n0.080784 0.584161 0.637361 O\n0.573980 0.084923 0.146311 O\n0.580763 0.091499 0.640483 O\n0.574390 0.579044 0.140277 O\n0.574704 0.585572 0.637315 O\n0.442396 0.408651 0.362572 O\n0.428661 0.412091 0.860384 O\n0.444155 0.923281 0.368489 O\n0.433281 0.922409 0.860249 O\n0.942423 0.411180 0.367758 O\n0.937750 0.410356 0.855663 O\n0.926984 0.919154 0.362422 O\n0.927452 0.928308 0.862414 O\n0.315971 0.307187 0.139255 O\n0.320715 0.310044 0.636514 O\n0.328076 0.811166 0.149145 O\n0.331998 0.800919 0.642007 O\n0.819359 0.309051 0.147301 O\n0.822005 0.298711 0.634934 O\n0.820522 0.810805 0.138508 O\n0.826626 0.805280 0.641537 O\n0.192136 0.202792 0.363849 O\n0.183787 0.192718 0.860575 O\n0.181328 0.694844 0.363807 O\n0.179425 0.687264 0.857499 O\n0.692340 0.205468 0.365476 O\n0.694940 0.186694 0.859326 O\n0.678019 0.706060 0.359856 O\n0.679043 0.696461 0.859472 O\n0.470091 0.049958 0.261142 O\n0.466861 0.050131 0.758622 O\n0.474546 0.521266 0.249073 O\n0.461185 0.530867 0.741077 O\n0.972499 0.044255 0.262116 O\n0.952338 0.053871 0.750644 O\n0.974007 0.521345 0.250503 O\n0.956224 0.532247 0.736141 O\n0.225701 0.465698 0.262691 O\n0.203962 0.443696 0.748625 O\n0.223082 0.974119 0.251122 O\n0.206400 0.958379 0.736216 O\n0.725717 0.471224 0.264500 O\n0.713704 0.460278 0.740520 O\n0.715206 0.964627 0.259267 O\n0.695995 0.938024 0.745405 O\n",
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],
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"formula_full": "Ba16 Sr16 Co8 Cu24 O80",
"formula_reduced": "Ba2Sr2CoCu3O10",
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"updated_at": "2021-11-28T01:36:25.624000Z",
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}
]
}