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"structure_string": "Ba40 Y20 Cu2 Ru18 O120\n1.0\n5.169951 0.000057 2.984840\n3.439307 9.783516 5.982559\n-0.065190 0.032774 59.809726\nBa Y Cu Ru O\n40 20 2 18 120\ndirect\n0.252310 0.125436 0.024452 Ba\n0.249957 0.124772 0.125055 Ba\n0.256082 0.629170 0.022948 Ba\n0.250101 0.125156 0.224948 Ba\n0.250399 0.625179 0.124884 Ba\n0.750389 0.376380 0.074645 Ba\n0.750152 0.374945 0.174981 Ba\n0.249993 0.125134 0.324975 Ba\n0.250048 0.625077 0.224974 Ba\n0.751772 0.874438 0.074757 Ba\n0.249966 0.125056 0.424996 Ba\n0.250069 0.625044 0.324978 Ba\n0.750072 0.374964 0.274993 Ba\n0.750019 0.874881 0.175020 Ba\n0.750049 0.374885 0.375014 Ba\n0.249877 0.125059 0.525014 Ba\n0.249975 0.625010 0.425003 Ba\n0.750067 0.875007 0.274986 Ba\n0.249470 0.123640 0.625378 Ba\n0.749975 0.874975 0.375011 Ba\n0.749921 0.374863 0.475042 Ba\n0.250007 0.625123 0.524975 Ba\n0.248230 0.625468 0.625261 Ba\n0.749975 0.874943 0.475016 Ba\n0.749970 0.375193 0.574967 Ba\n0.254029 0.115897 0.726015 Ba\n0.249333 0.125231 0.825088 Ba\n0.747749 0.374487 0.675552 Ba\n0.749574 0.874810 0.575123 Ba\n0.238908 0.629488 0.726320 Ba\n0.256089 0.117304 0.925321 Ba\n0.743677 0.870835 0.677096 Ba\n0.255487 0.627521 0.823399 Ba\n0.743765 0.382864 0.774674 Ba\n0.240693 0.630359 0.925790 Ba\n0.750658 0.374770 0.874914 Ba\n0.759537 0.869511 0.774190 Ba\n0.746116 0.383927 0.973992 Ba\n0.744641 0.872521 0.876569 Ba\n0.760797 0.870613 0.973719 Ba\n0.005406 0.998520 0.999215 Y\n0.000920 0.000568 0.099703 Y\n0.000645 0.504580 0.998956 Y\n0.000130 0.000158 0.199942 Y\n0.001590 0.500449 0.099592 Y\n0.000050 0.000011 0.299987 Y\n0.000389 0.500039 0.199914 Y\n0.000040 0.999994 0.399993 Y\n0.000024 0.500049 0.299986 Y\n0.000010 0.500031 0.399991 Y\n0.999665 -0.000005 0.500068 Y\n0.998344 0.999551 0.600421 Y\n0.999930 0.499879 0.500039 Y\n0.004147 0.997671 0.799636 Y\n0.994484 0.501479 0.700808 Y\n0.999303 0.995308 0.701078 Y\n0.999074 0.499363 0.600313 Y\n0.000086 0.995801 0.900823 Y\n0.999871 0.504329 0.799160 Y\n0.995945 0.502247 0.900361 Y\n0.499844 0.750036 0.750022 Cu\n0.500122 0.749951 0.949990 Cu\n0.501220 0.250599 0.049646 Ru\n0.500339 0.750307 0.049874 Ru\n0.500329 0.250014 0.149933 Ru\n0.499961 0.250021 0.250005 Ru\n0.500026 0.749965 0.150007 Ru\n0.500026 0.250025 0.349984 Ru\n0.500006 0.749976 0.250002 Ru\n0.500203 0.249993 0.449962 Ru\n0.500027 0.750025 0.349984 Ru\n0.500150 0.750036 0.449966 Ru\n0.499767 0.250034 0.550039 Ru\n0.500032 0.750121 0.549963 Ru\n0.498906 0.249477 0.650330 Ru\n0.500074 0.249762 0.750031 Ru\n0.499670 0.749749 0.650119 Ru\n0.499857 0.249943 0.850034 Ru\n0.499797 0.250117 0.950017 Ru\n0.499872 0.749927 0.850035 Ru\n0.265092 0.132453 0.073615 O\n0.263341 0.366179 0.026854 O\n0.733825 0.132112 0.026813 O\n0.265819 0.366078 0.073620 O\n0.733857 0.132454 0.073615 O\n0.735764 0.366181 0.026854 O\n0.264762 0.632533 0.073735 O\n0.262728 0.867549 0.027045 O\n0.264926 0.132596 0.173508 O\n0.264875 0.367181 0.126558 O\n0.732682 0.631745 0.027115 O\n0.734610 0.132460 0.126585 O\n0.264388 0.867116 0.073700 O\n0.265294 0.367080 0.173526 O\n0.734802 0.132590 0.173509 O\n0.735185 0.367176 0.126559 O\n0.732827 0.632534 0.073735 O\n0.731720 0.867549 0.027045 O\n0.264552 0.867302 0.126633 O\n0.264862 0.367331 0.226560 O\n0.264778 0.632612 0.173541 O\n0.264864 0.132591 0.273505 O\n0.734672 0.132531 0.226559 O\n0.734562 0.632366 0.126614 O\n0.264975 0.867302 0.173545 O\n0.265088 0.367350 0.273513 O\n0.734511 0.867298 0.126635 O\n0.734903 0.132587 0.273506 O\n0.734870 0.367326 0.226561 O\n0.734596 0.632606 0.173542 O\n0.264900 0.132592 0.373480 O\n0.264934 0.367399 0.326521 O\n0.264839 0.632605 0.273507 O\n0.264828 0.867326 0.226559 O\n0.734838 0.132577 0.326517 O\n0.734681 0.632549 0.226553 O\n0.265127 0.367452 0.373484 O\n0.265102 0.867338 0.273512 O\n0.735109 0.132590 0.373480 O\n0.734931 0.867322 0.226560 O\n0.735056 0.367394 0.326522 O\n0.734878 0.632602 0.273508 O\n0.265061 0.132638 0.473444 O\n0.264890 0.632608 0.373480 O\n0.264965 0.867382 0.326521 O\n0.265098 0.367411 0.426493 O\n0.734927 0.132651 0.426484 O\n0.265247 0.367515 0.473448 O\n0.734827 0.632592 0.326516 O\n0.265136 0.867437 0.373485 O\n0.735219 0.132639 0.473445 O\n0.735068 0.867377 0.326522 O\n0.735140 0.367411 0.426494 O\n0.735080 0.632607 0.373481 O\n0.264712 0.132767 0.573452 O\n0.265157 0.367422 0.526489 O\n0.264999 0.632642 0.473446 O\n0.265126 0.867395 0.426491 O\n0.265274 0.367595 0.573427 O\n0.734917 0.632659 0.426484 O\n0.265238 0.867498 0.473454 O\n0.734757 0.132891 0.526470 O\n0.735234 0.132767 0.573453 O\n0.735112 0.367422 0.526489 O\n0.735254 0.632644 0.473446 O\n0.735164 0.867397 0.426491 O\n0.263974 0.133680 0.673176 O\n0.265860 0.367682 0.626359 O\n0.265379 0.632645 0.573377 O\n0.265365 0.867406 0.526456 O\n0.734487 0.133762 0.626350 O\n0.265323 0.867686 0.573399 O\n0.265863 0.368034 0.673220 O\n0.735074 0.632670 0.526451 O\n0.736905 0.133680 0.673177 O\n0.735561 0.632646 0.573377 O\n0.735265 0.867406 0.526456 O\n0.735185 0.367681 0.626359 O\n0.268071 0.632354 0.672975 O\n0.266996 0.867552 0.626246 O\n0.265215 0.133898 0.773420 O\n0.268403 0.366192 0.726401 O\n0.267108 0.868363 0.672905 O\n0.735795 0.632798 0.626281 O\n0.266444 0.365878 0.773536 O\n0.734108 0.134353 0.726307 O\n0.737478 0.632349 0.672976 O\n0.735444 0.867550 0.626246 O\n0.732785 0.133894 0.773421 O\n0.735200 0.366188 0.726402 O\n0.264113 0.133410 0.873324 O\n0.264082 0.630925 0.773797 O\n0.264148 0.366606 0.826674 O\n0.264989 0.869141 0.726102 O\n0.266386 0.366776 0.873368 O\n0.733641 0.133213 0.826629 O\n0.739170 0.630790 0.726009 O\n0.260500 0.869913 0.773918 O\n0.735822 0.133407 0.873325 O\n0.735901 0.366604 0.826674 O\n0.736103 0.630922 0.773797 O\n0.735718 0.869137 0.726101 O\n0.265053 0.133944 0.973573 O\n0.267725 0.632709 0.873225 O\n0.267366 0.366028 0.926594 O\n0.265300 0.867340 0.826767 O\n0.266135 0.365523 0.973668 O\n0.733743 0.632176 0.826816 O\n0.266327 0.867783 0.873178 O\n0.733407 0.134197 0.926479 O\n0.731332 0.133942 0.973573 O\n0.734626 0.366029 0.926595 O\n0.734602 0.632707 0.873226 O\n0.732352 0.867336 0.826767 O\n0.265066 0.631248 0.973822 O\n0.264619 0.868706 0.926280 O\n0.261480 0.868890 0.973926 O\n0.738890 0.630382 0.926145 O\n0.734221 0.631246 0.973822 O\n0.735166 0.868706 0.926279 O\n",
"nsites": 200,
"nelements": 5,
"elements": [
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"Y",
"Cu",
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],
"chemical_system": "Ba-Cu-O-Ru-Y",
"density": 6.110944932240432,
"density_atomic": 0.0660849321103481,
"volume": 3026.4084960553723,
"volume_molar": 9.11272898025268,
"formula_full": "Ba40 Y20 Cu2 Ru18 O120",
"formula_reduced": "Ba20Y10Cu(Ru3O20)3",
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"energy": -1534.31128554,
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"updated_at": "2021-11-28T01:35:53.825000Z",
"spacegroup": 10
},
{
"id": "mp-1199816",
"created_at": "2022-09-04T14:44:14.674451Z",
"structure_string": "Cu8 H96 C8 N48 Cl32 O8\n1.0\n10.394633 0.000000 0.000000\n0.000000 11.640205 0.000000\n0.000000 0.000000 18.795715\nCu H C N Cl O\n8 96 8 48 32 8\ndirect\n0.014755 0.241365 0.485664 Cu\n0.514755 0.258635 0.514336 Cu\n0.985245 0.741365 0.014336 Cu\n0.485245 0.758635 0.985664 Cu\n0.985245 0.758635 0.514336 Cu\n0.485245 0.741365 0.485664 Cu\n0.014755 0.258635 0.985664 Cu\n0.514755 0.241365 0.014336 Cu\n0.254651 0.372932 0.881932 H\n0.754651 0.127068 0.118068 H\n0.745349 0.872932 0.618068 H\n0.245349 0.627068 0.381932 H\n0.745349 0.627068 0.118068 H\n0.245349 0.872932 0.881932 H\n0.254651 0.127068 0.381932 H\n0.754651 0.372932 0.618068 H\n0.250265 0.442018 0.808210 H\n0.750265 0.057982 0.191790 H\n0.749735 0.942018 0.691790 H\n0.249735 0.557982 0.308210 H\n0.749735 0.557982 0.191790 H\n0.249735 0.942018 0.808210 H\n0.250265 0.057982 0.308210 H\n0.750265 0.442018 0.691790 H\n0.933135 0.142208 0.674873 H\n0.433135 0.357792 0.325127 H\n0.066865 0.642208 0.825127 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N\n0.941208 0.362856 0.064147 N\n0.441208 0.137144 0.935853 N\n0.057521 0.332329 0.573539 N\n0.557521 0.167671 0.426461 N\n0.942479 0.832329 0.926461 N\n0.442479 0.667671 0.073539 N\n0.942479 0.667671 0.426461 N\n0.442479 0.832329 0.573539 N\n0.057521 0.167671 0.073539 N\n0.557521 0.332329 0.926461 N\n0.139134 0.430084 0.574011 N\n0.639134 0.069916 0.425989 N\n0.860866 0.930084 0.925989 N\n0.360866 0.569916 0.074011 N\n0.860866 0.569916 0.425989 N\n0.360866 0.930084 0.574011 N\n0.139134 0.069916 0.074011 N\n0.639134 0.430084 0.925989 N\n0.088013 0.314651 0.697801 N\n0.588013 0.185349 0.302199 N\n0.911987 0.814651 0.802199 N\n0.411987 0.685349 0.197801 N\n0.911987 0.685349 0.302199 N\n0.411987 0.814651 0.697801 N\n0.088013 0.185349 0.197801 N\n0.588013 0.314651 0.802199 N\n0.097278 0.241958 0.757767 N\n0.597278 0.258042 0.242233 N\n0.902722 0.741958 0.742233 N\n0.402722 0.758042 0.257767 N\n0.902722 0.758042 0.242233 N\n0.402722 0.741958 0.757767 N\n0.097278 0.258042 0.257767 N\n0.597278 0.241958 0.742233 N\n0.246810 0.134170 0.490155 Cl\n0.746810 0.365830 0.509845 Cl\n0.753190 0.634170 0.009845 Cl\n0.253190 0.865830 0.990155 Cl\n0.753190 0.865830 0.509845 Cl\n0.253190 0.634170 0.490155 Cl\n0.246810 0.365830 0.990155 Cl\n0.746810 0.134170 0.009845 Cl\n0.090071 0.381186 0.410768 Cl\n0.590071 0.118814 0.589232 Cl\n0.909929 0.881186 0.089232 Cl\n0.409929 0.618814 0.910768 Cl\n0.909929 0.618814 0.589232 Cl\n0.409929 0.881186 0.410768 Cl\n0.090071 0.118814 0.910768 Cl\n0.590071 0.381186 0.089232 Cl\n0.932760 0.125088 0.398038 Cl\n0.432760 0.374912 0.601962 Cl\n0.067240 0.625088 0.101962 Cl\n0.567240 0.874912 0.898038 Cl\n0.067240 0.874912 0.601962 Cl\n0.567240 0.625088 0.398038 Cl\n0.932760 0.374912 0.898038 Cl\n0.432760 0.125088 0.101962 Cl\n0.329342 0.074302 0.734141 Cl\n0.829342 0.425698 0.265859 Cl\n0.670658 0.574302 0.765859 Cl\n0.170658 0.925698 0.234141 Cl\n0.670658 0.925698 0.265859 Cl\n0.170658 0.574302 0.734141 Cl\n0.329342 0.425698 0.234141 Cl\n0.829342 0.074302 0.765859 Cl\n0.260181 0.364559 0.828761 O\n0.760181 0.135441 0.171239 O\n0.739819 0.864559 0.671239 O\n0.239819 0.635441 0.328761 O\n0.739819 0.635441 0.171239 O\n0.239819 0.864559 0.828761 O\n0.260181 0.135441 0.328761 O\n0.760181 0.364559 0.671239 O\n",
"nsites": 200,
"nelements": 6,
"elements": [
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"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-Cu-H-N-O",
"density": 1.9247333942786786,
"density_atomic": 0.08794301589852521,
"volume": 2274.1999231726822,
"volume_molar": 6.847776026863539,
"formula_full": "Cu8 H96 C8 N48 Cl32 O8",
"formula_reduced": "CuH12CN6Cl4O",
"formula_anonymous": "ABCD4E6F12",
"energy": -1043.98961775,
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"updated_at": "2021-11-28T01:36:42.337000Z",
"spacegroup": 61
},
{
"id": "mp-723059",
"created_at": "2022-09-04T14:42:12.169133Z",
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"updated_at": "2021-11-28T01:35:37.162000Z",
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},
{
"id": "mp-667369",
"created_at": "2022-09-04T14:48:09.132812Z",
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"updated_at": "2021-11-28T01:38:27.048000Z",
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},
{
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"created_at": "2022-09-04T14:47:40.769740Z",
"structure_string": "Sr40 Fe18 Co2 Mo20 O120\n1.0\n4.889416 -0.003139 -2.815181\n-16.258072 45.959118 -28.185199\n0.029953 0.033829 11.336025\nSr Fe Co Mo O\n40 18 2 20 120\ndirect\n0.250732 0.075073 0.750388 Sr\n0.250768 0.275009 0.750716 Sr\n0.249767 0.174835 0.749405 Sr\n0.249937 0.375019 0.749469 Sr\n0.251570 0.475109 0.750493 Sr\n0.251943 0.574800 0.751155 Sr\n0.249455 0.674634 0.748879 Sr\n0.257052 0.775441 0.756314 Sr\n0.256841 0.876040 0.756449 Sr\n0.250555 0.975017 0.750351 Sr\n0.250357 0.074806 0.248840 Sr\n0.250787 0.174745 0.250559 Sr\n0.250719 0.274961 0.249241 Sr\n0.250719 0.374971 0.248750 Sr\n0.250454 0.474971 0.250286 Sr\n0.250207 0.575102 0.249215 Sr\n0.244567 0.673560 0.245438 Sr\n0.244819 0.774396 0.243522 Sr\n0.246853 0.875585 0.247367 Sr\n0.248740 0.974778 0.248050 Sr\n0.749793 0.024898 0.750785 Sr\n0.749546 0.125029 0.749714 Sr\n0.749281 0.225029 0.751250 Sr\n0.749281 0.325039 0.750759 Sr\n0.749213 0.425255 0.749441 Sr\n0.749643 0.525194 0.751160 Sr\n0.751260 0.625222 0.751950 Sr\n0.753147 0.724415 0.752633 Sr\n0.755181 0.825604 0.756478 Sr\n0.755433 0.926440 0.754562 Sr\n0.748057 0.025200 0.248845 Sr\n0.748430 0.124891 0.249507 Sr\n0.750063 0.224981 0.250531 Sr\n0.749232 0.324991 0.249284 Sr\n0.750233 0.425165 0.250595 Sr\n0.749268 0.524927 0.249612 Sr\n0.749445 0.624983 0.249649 Sr\n0.743159 0.723960 0.243551 Sr\n0.742948 0.824559 0.243686 Sr\n0.750545 0.925366 0.251121 Sr\n0.000539 0.000203 0.502648 Fe\n0.001869 0.100078 0.501130 Fe\n0.999544 0.200108 0.498739 Fe\n0.000000 0.300000 0.500000 Fe\n0.000456 0.399892 0.501261 Fe\n0.998131 0.499922 0.498870 Fe\n-0.000539 0.599797 0.497352 Fe\n0.000000 0.800000 0.500000 Fe\n0.004239 0.999910 0.001385 Fe\n0.998920 0.099671 0.999474 Fe\n0.998547 0.200125 0.999898 Fe\n0.000000 0.300000 0.000000 Fe\n0.001453 0.399875 0.000102 Fe\n0.995761 0.600090 -0.001385 Fe\n0.000000 0.800000 0.000000 Fe\n0.005262 0.900775 0.005187 Fe\n0.001080 0.500329 0.000526 Fe\n0.994738 0.699225 0.994813 Fe\n-0.001274 0.699477 0.498623 Co\n0.001274 0.900523 0.501377 Co\n0.500050 0.049890 0.499802 Mo\n0.498867 0.149871 0.498855 Mo\n0.499880 0.250008 0.499863 Mo\n0.500120 0.349992 0.500137 Mo\n0.501133 0.450129 0.501145 Mo\n0.499950 0.550110 0.500198 Mo\n0.498617 0.649906 0.498645 Mo\n0.499645 0.749432 0.498759 Mo\n0.501383 0.950094 0.501355 Mo\n0.500355 0.850568 0.501241 Mo\n0.500769 0.049995 0.000071 Mo\n0.500024 0.149982 -0.000122 Mo\n0.499192 0.249887 0.999528 Mo\n0.500808 0.350113 0.000472 Mo\n0.499976 0.450018 0.000122 Mo\n0.499231 0.550005 -0.000071 Mo\n0.498925 0.649773 -0.000559 Mo\n0.498541 0.749508 0.998183 Mo\n0.501075 0.950227 0.000559 Mo\n0.501459 0.850492 0.001817 Mo\n0.247750 0.124879 0.749186 O\n0.250052 0.025304 0.750481 O\n0.248933 0.225507 0.753093 O\n0.249737 0.325447 0.753228 O\n0.249099 0.424986 0.749319 O\n0.247444 0.525276 0.750095 O\n0.255785 0.626075 0.757787 O\n0.260169 0.726489 0.761324 O\n0.253769 0.825125 0.753371 O\n0.258948 0.925694 0.759587 O\n0.214225 0.071488 0.499995 O\n0.213066 0.171430 0.500905 O\n0.213605 0.271350 0.499454 O\n0.213617 0.371381 0.498040 O\n0.214087 0.471711 0.500918 O\n0.214613 0.571747 0.501391 O\n0.217989 0.670687 0.500767 O\n0.221350 0.771147 0.501008 O\n0.224286 0.870265 0.499534 O\n0.215493 0.971571 0.499372 O\n0.289532 0.022324 0.499576 O\n0.291381 0.122347 0.500023 O\n0.293673 0.222325 0.504126 O\n0.291380 0.322327 0.503216 O\n0.290421 0.422591 0.500163 O\n0.293172 0.522792 0.502440 O\n0.288904 0.622212 0.502067 O\n0.295473 0.722669 0.500664 O\n0.290687 0.821884 0.499885 O\n0.287897 0.922468 0.499483 O\n0.248962 0.025127 0.250269 O\n0.248302 0.124973 0.248627 O\n0.254844 0.225437 0.253502 O\n0.253163 0.325274 0.252797 O\n0.248490 0.425073 0.249566 O\n0.250793 0.525140 0.250443 O\n0.250949 0.624839 0.249407 O\n0.258305 0.726128 0.259341 O\n0.257523 0.825577 0.257831 O\n0.248970 0.924787 0.249856 O\n0.749207 0.074860 0.749557 O\n0.751510 0.174927 0.750434 O\n0.746837 0.274726 0.747203 O\n0.745156 0.374563 0.746498 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O\n0.775714 0.729735 0.500466 O\n0.778650 0.828853 0.498992 O\n0.782011 0.929313 0.499233 O\n0.283872 0.021639 -0.000323 O\n0.282067 0.121567 -0.000025 O\n0.286156 0.221517 0.001787 O\n0.284445 0.321705 0.001374 O\n0.281079 0.421533 -0.000491 O\n0.285022 0.521329 0.000384 O\n0.286387 0.621257 0.999746 O\n0.290804 0.721779 0.004327 O\n0.283588 0.821081 -0.000884 O\n0.285489 0.921060 0.998752 O\n0.752556 0.074724 0.249905 O\n0.750901 0.175014 0.250681 O\n0.750263 0.274554 0.246772 O\n0.751067 0.374493 0.246907 O\n0.752250 0.475121 0.250814 O\n0.749948 0.574696 0.249519 O\n0.741052 0.674306 0.240413 O\n0.739831 0.873511 0.238676 O\n0.746231 0.774875 0.246629 O\n0.744215 0.973925 0.242213 O\n0.714978 0.078671 0.999616 O\n0.715555 0.278295 0.998626 O\n0.718921 0.178467 0.000491 O\n0.713844 0.378483 0.998213 O\n0.717933 0.478433 0.000025 O\n0.716128 0.578361 0.000323 O\n0.716412 0.778919 0.000884 O\n0.714511 0.678940 0.001248 O\n0.709196 0.878221 0.995673 O\n0.713613 0.978743 0.000254 O\n0.778755 0.029494 0.001471 O\n0.775025 0.129358 0.999012 O\n0.782227 0.229178 0.002332 O\n0.781704 0.329153 0.001748 O\n0.774844 0.429192 0.998647 O\n0.778616 0.529382 0.001993 O\n0.783785 0.628735 0.998973 O\n0.791362 0.729277 0.004259 O\n0.786889 0.828390 -0.000595 O\n0.783334 0.928250 0.996157 O\n",
"nsites": 200,
"nelements": 5,
"elements": [
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],
"chemical_system": "Co-Fe-Mo-O-Sr",
"density": 5.498580649957593,
"density_atomic": 0.07822079582414534,
"volume": 2556.8648067661775,
"volume_molar": 7.6988998853180615,
"formula_full": "Sr40 Fe18 Co2 Mo20 O120",
"formula_reduced": "Sr20Fe9Co(MoO6)10",
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"energy": -1551.92860347,
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"updated_at": "2021-11-28T01:38:16.957000Z",
"spacegroup": 2
},
{
"id": "mp-1194884",
"created_at": "2022-09-04T14:47:20.421392Z",
"structure_string": "H84 C96 Xe2 Cl6 O12\n1.0\n12.197653 0.000000 0.000000\n-3.712278 12.591103 0.000000\n-4.142254 -4.410657 15.048144\nH C Xe Cl O\n84 96 2 6 12\ndirect\n0.403740 0.474468 0.877309 H\n0.596260 0.525532 0.122691 H\n0.379607 0.417098 0.966220 H\n0.620393 0.582902 0.033780 H\n0.532360 0.477759 0.715583 H\n0.467640 0.522241 0.284417 H\n0.328461 0.847194 0.577543 H\n0.671539 0.152806 0.422457 H\n0.646025 0.964110 0.990317 H\n0.353975 0.035890 0.009683 H\n0.190401 0.353541 0.780879 H\n0.809599 0.646459 0.219121 H\n0.167307 0.301428 0.871687 H\n0.832693 0.698572 0.128313 H\n0.873300 0.460388 0.510181 H\n0.126700 0.539612 0.489819 H\n0.935432 0.376328 0.449616 H\n0.064568 0.623672 0.550384 H\n0.823706 0.689660 0.953393 H\n0.176294 0.310340 0.046607 H\n0.408074 0.572873 0.446351 H\n0.591926 0.427127 0.553649 H\n0.563681 0.156825 0.811584 H\n0.436319 0.843175 0.188416 H\n0.690970 0.787324 0.989352 H\n0.309030 0.212676 0.010648 H\n0.393212 0.491416 0.568541 H\n0.606788 0.508584 0.431459 H\n0.383057 0.998418 0.717747 H\n0.616943 0.001582 0.282253 H\n0.369928 0.720600 0.872590 H\n0.630072 0.279400 0.127410 H\n0.493457 0.790556 0.971016 H\n0.506543 0.209444 0.028984 H\n0.304517 0.590888 0.758558 H\n0.695483 0.409112 0.241442 H\n0.335749 0.483426 0.696603 H\n0.664251 0.516574 0.303397 H\n0.267585 0.729810 0.756993 H\n0.732415 0.270190 0.243007 H\n0.242163 0.821201 0.694294 H\n0.757837 0.178799 0.305706 H\n0.080564 0.853140 0.879108 H\n0.919436 0.146860 0.120892 H\n0.755701 0.720281 0.454573 H\n0.244299 0.279719 0.545427 H\n0.852559 0.202687 0.712156 H\n0.147441 0.797313 0.287844 H\n0.847062 0.548163 0.679364 H\n0.152938 0.451837 0.320636 H\n0.569630 0.954964 0.453819 H\n0.430370 0.045036 0.546181 H\n0.947170 0.155643 0.973378 H\n0.052830 0.844357 0.026622 H\n0.862865 0.642714 0.564438 H\n0.137135 0.357286 0.435562 H\n0.756967 0.100154 0.553268 H\n0.243033 0.899846 0.446732 H\n0.074839 0.055355 0.931354 H\n0.925161 0.944645 0.068646 H\n0.974372 0.791471 0.521156 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C\n0.023851 0.085135 0.881492 C\n0.976149 0.914865 0.118508 C\n0.972800 0.804097 0.653545 C\n0.027200 0.195903 0.346455 C\n0.862769 0.994358 0.569744 C\n0.137231 0.005642 0.430256 C\n0.030143 0.060748 0.795171 C\n0.969857 0.939252 0.204829 C\n0.972244 0.853853 0.575930 C\n0.027756 0.146147 0.424070 C\n0.970746 0.088410 0.638530 C\n0.029254 0.911590 0.361470 C\n0.103357 0.988850 0.773475 C\n0.896643 0.011150 0.226525 C\n0.877597 0.544455 0.846558 C\n0.122403 0.455545 0.153442 C\n0.431040 0.743714 0.374687 C\n0.568960 0.256286 0.625313 C\n0.778366 0.247041 0.937435 C\n0.221634 0.752959 0.062565 C\n0.695018 0.846591 0.719116 Xe\n0.304982 0.153409 0.280884 Xe\n0.394784 0.288122 0.850535 Cl\n0.605216 0.711878 0.149465 Cl\n0.176101 0.487840 0.893354 Cl\n0.823899 0.512160 0.106646 Cl\n0.028952 0.420439 0.604940 Cl\n0.971048 0.579561 0.395060 Cl\n0.753072 0.518358 0.799717 O\n0.246928 0.481642 0.200283 O\n0.389978 0.779529 0.445864 O\n0.610022 0.220471 0.554136 O\n0.729769 0.148579 0.960181 O\n0.270231 0.851421 0.039819 O\n0.954953 0.654211 0.859459 O\n0.045047 0.345789 0.140541 O\n0.547440 0.734245 0.399810 O\n0.452560 0.265755 0.600190 O\n0.804692 0.232698 0.856156 O\n0.195308 0.767302 0.143844 O\n",
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"elements": [
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],
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"formula_full": "H84 C96 Xe2 Cl6 O12",
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"updated_at": "2021-11-28T01:38:04.192000Z",
"spacegroup": 2
}
]
}