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{
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{
"id": "oqmd-31720",
"created_at": "2022-09-04T14:51:16.184529Z",
"updated_at": "2022-09-04T14:51:16.184548Z",
"structure_string": "Mg149 Bi1\n1.0\n13.794267 -7.964128 0.000000\n0.000000 15.928256 0.000000\n0.000000 0.000000 15.643860\nBi Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Bi\n0.797090 0.000969 0.000000 Mg\n0.203879 0.000969 0.000000 Mg\n0.799713 0.200286 0.000000 Mg\n0.400573 0.200286 0.000000 Mg\n0.600191 0.200381 0.000000 Mg\n0.203879 0.202910 0.000000 Mg\n0.999031 0.202910 0.000000 Mg\n0.199765 0.399529 0.000000 Mg\n0.799619 0.399810 0.000000 Mg\n0.600191 0.399810 0.000000 Mg\n0.000230 0.401324 0.000000 Mg\n0.401094 0.401324 0.000000 Mg\n0.000230 0.598906 0.000000 Mg\n0.598676 0.598906 0.000000 Mg\n0.799713 0.599427 0.000000 Mg\n0.399944 0.600056 0.000000 Mg\n0.200113 0.600057 0.000000 Mg\n0.797090 0.796121 0.000000 Mg\n0.999031 0.796121 0.000000 Mg\n0.399944 0.799887 0.000000 Mg\n0.199765 0.800235 0.000000 Mg\n0.600471 0.800236 0.000000 Mg\n0.598676 0.999770 0.000000 Mg\n0.401094 0.999770 0.000000 Mg\n0.466759 0.133323 0.166411 Mg\n0.666564 0.133323 0.166411 Mg\n0.466759 0.333436 0.166411 Mg\n0.866677 0.333436 0.166411 Mg\n0.666564 0.533241 0.166411 Mg\n0.866677 0.533241 0.166411 Mg\n0.666667 0.333333 0.166461 Mg\n0.266571 0.533142 0.166511 Mg\n0.266571 0.733429 0.166511 Mg\n0.466858 0.733429 0.166511 Mg\n0.066362 0.333123 0.166612 Mg\n0.266762 0.333123 0.166612 Mg\n0.666876 0.733238 0.166612 Mg\n0.066362 0.733239 0.166612 Mg\n0.666876 0.933638 0.166612 Mg\n0.266762 0.933638 0.166612 Mg\n0.466574 0.533426 0.166690 Mg\n0.066852 0.533426 0.166690 Mg\n0.466574 0.933148 0.166690 Mg\n0.267006 0.133503 0.167214 Mg\n0.866497 0.133503 0.167214 Mg\n0.866497 0.732994 0.167214 Mg\n0.067743 0.135487 0.169922 Mg\n0.864513 0.932257 0.169922 Mg\n0.067743 0.932257 0.169922 Mg\n0.199849 0.399698 0.333034 Mg\n0.199849 0.800151 0.333034 Mg\n0.600302 0.800151 0.333034 Mg\n0.799924 0.200076 0.333130 Mg\n0.400152 0.200076 0.333130 Mg\n0.799924 0.599847 0.333130 Mg\n0.600022 0.200043 0.333197 Mg\n0.799957 0.399978 0.333197 Mg\n0.600022 0.399978 0.333197 Mg\n0.400032 0.000000 0.333259 Mg\n0.600039 0.000000 0.333259 Mg\n0.000000 0.399961 0.333259 Mg\n0.400032 0.399961 0.333259 Mg\n0.000000 0.599968 0.333259 Mg\n0.600039 0.599968 0.333259 Mg\n0.399984 0.600015 0.333309 Mg\n0.200031 0.600016 0.333309 Mg\n0.399984 0.799969 0.333309 Mg\n0.000000 0.000000 0.333615 Mg\n0.799894 0.000247 0.334178 Mg\n0.200354 0.000247 0.334178 Mg\n0.999753 0.200106 0.334178 Mg\n0.200354 0.200106 0.334178 Mg\n0.799894 0.799647 0.334178 Mg\n0.999753 0.799647 0.334178 Mg\n0.466792 0.133304 0.500000 Mg\n0.666512 0.133304 0.500000 Mg\n0.066671 0.133343 0.500000 Mg\n0.266841 0.133421 0.500000 Mg\n0.866580 0.133421 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066761 0.333412 0.500000 Mg\n0.266651 0.333412 0.500000 Mg\n0.866696 0.333488 0.500000 Mg\n0.466792 0.333488 0.500000 Mg\n0.866696 0.533208 0.500000 Mg\n0.666512 0.533208 0.500000 Mg\n0.466566 0.533434 0.500000 Mg\n0.066868 0.533434 0.500000 Mg\n0.266727 0.533454 0.500000 Mg\n0.866580 0.733159 0.500000 Mg\n0.266727 0.733273 0.500000 Mg\n0.466546 0.733273 0.500000 Mg\n0.066761 0.733349 0.500000 Mg\n0.666588 0.733349 0.500000 Mg\n0.466566 0.933132 0.500000 Mg\n0.266651 0.933239 0.500000 Mg\n0.666588 0.933239 0.500000 Mg\n0.066671 0.933329 0.500000 Mg\n0.866657 0.933329 0.500000 Mg\n0.799894 0.000247 0.665822 Mg\n0.200354 0.000247 0.665822 Mg\n0.999753 0.200106 0.665822 Mg\n0.200354 0.200106 0.665822 Mg\n0.799894 0.799647 0.665822 Mg\n0.999753 0.799647 0.665822 Mg\n0.000000 0.000000 0.666385 Mg\n0.399984 0.600015 0.666691 Mg\n0.200031 0.600016 0.666691 Mg\n0.399984 0.799969 0.666691 Mg\n0.400032 0.000000 0.666741 Mg\n0.600039 0.000000 0.666741 Mg\n0.000000 0.399961 0.666741 Mg\n0.400032 0.399961 0.666741 Mg\n0.000000 0.599968 0.666741 Mg\n0.600039 0.599968 0.666741 Mg\n0.600022 0.200043 0.666803 Mg\n0.799957 0.399978 0.666803 Mg\n0.600022 0.399978 0.666803 Mg\n0.799924 0.200076 0.666870 Mg\n0.400152 0.200076 0.666870 Mg\n0.799924 0.599847 0.666870 Mg\n0.199849 0.399698 0.666966 Mg\n0.199849 0.800151 0.666966 Mg\n0.600302 0.800151 0.666966 Mg\n0.067743 0.135487 0.830078 Mg\n0.864513 0.932257 0.830078 Mg\n0.067743 0.932257 0.830078 Mg\n0.267006 0.133503 0.832786 Mg\n0.866497 0.133503 0.832786 Mg\n0.866497 0.732994 0.832786 Mg\n0.466574 0.533426 0.833310 Mg\n0.066852 0.533426 0.833310 Mg\n0.466574 0.933148 0.833310 Mg\n0.066362 0.333123 0.833388 Mg\n0.266762 0.333123 0.833388 Mg\n0.666876 0.733238 0.833388 Mg\n0.066362 0.733239 0.833388 Mg\n0.666876 0.933638 0.833388 Mg\n0.266762 0.933638 0.833388 Mg\n0.266571 0.533142 0.833489 Mg\n0.266571 0.733429 0.833489 Mg\n0.466858 0.733429 0.833489 Mg\n0.666667 0.333333 0.833539 Mg\n0.466759 0.133323 0.833589 Mg\n0.666564 0.133323 0.833589 Mg\n0.466759 0.333436 0.833589 Mg\n0.866677 0.333436 0.833589 Mg\n0.666564 0.533241 0.833589 Mg\n0.866677 0.533241 0.833589 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Bi",
"Mg"
],
"chemical_system": "Bi-Mg",
"density": 1.8504839830101447,
"density_atomic": 0.04363957208380937,
"volume": 3437.2472697928033,
"volume_molar": 13.799724590411973,
"formula_full": "Mg149 Bi1",
"formula_reduced": "Mg149Bi",
"formula_anonymous": "AB149",
"formation_energy": -0.001415866605559,
"spacegroup": 187
},
{
"id": "oqmd-31713",
"created_at": "2022-09-04T14:49:00.343047Z",
"updated_at": "2022-09-04T14:49:00.343073Z",
"structure_string": "Mg149 Ag1\n1.0\n13.768483 -7.949241 0.000000\n0.000000 15.898483 0.000000\n0.000000 0.000000 15.601663\nAg Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ag\n0.804172 0.000920 0.000000 Mg\n0.196749 0.000920 0.000000 Mg\n0.999080 0.195828 0.000000 Mg\n0.196749 0.195828 0.000000 Mg\n0.398869 0.199434 0.000000 Mg\n0.800565 0.199435 0.000000 Mg\n0.599891 0.199783 0.000000 Mg\n0.199164 0.398329 0.000000 Mg\n0.000000 0.399282 0.000000 Mg\n0.399242 0.399282 0.000000 Mg\n0.599891 0.400109 0.000000 Mg\n0.800217 0.400109 0.000000 Mg\n0.400114 0.599886 0.000000 Mg\n0.199771 0.599886 0.000000 Mg\n0.000000 0.600759 0.000000 Mg\n0.600718 0.600759 0.000000 Mg\n0.800565 0.601131 0.000000 Mg\n0.400114 0.800228 0.000000 Mg\n0.601670 0.800835 0.000000 Mg\n0.199164 0.800835 0.000000 Mg\n0.999080 0.803252 0.000000 Mg\n0.804172 0.803252 0.000000 Mg\n0.600718 0.000000 0.000000 Mg\n0.399242 0.000000 0.000000 Mg\n0.065467 0.130934 0.163404 Mg\n0.869066 0.934533 0.163404 Mg\n0.065467 0.934533 0.163404 Mg\n0.066285 0.332051 0.166093 Mg\n0.265766 0.332051 0.166093 Mg\n0.066285 0.734234 0.166093 Mg\n0.667949 0.734234 0.166093 Mg\n0.265766 0.933715 0.166093 Mg\n0.667949 0.933716 0.166093 Mg\n0.066701 0.533350 0.166446 Mg\n0.466650 0.533350 0.166446 Mg\n0.466650 0.933299 0.166446 Mg\n0.466866 0.133386 0.166550 Mg\n0.666519 0.133386 0.166550 Mg\n0.466866 0.333480 0.166550 Mg\n0.866614 0.333480 0.166550 Mg\n0.666519 0.533133 0.166550 Mg\n0.866614 0.533133 0.166550 Mg\n0.266458 0.532915 0.166572 Mg\n0.467084 0.733542 0.166572 Mg\n0.266458 0.733542 0.166572 Mg\n0.666667 0.333333 0.166598 Mg\n0.267621 0.133810 0.167262 Mg\n0.866190 0.133810 0.167262 Mg\n0.866190 0.732379 0.167262 Mg\n0.000000 0.000000 0.332084 Mg\n0.199460 0.199686 0.332646 Mg\n0.000226 0.199686 0.332646 Mg\n0.800313 0.800539 0.332646 Mg\n0.000226 0.800540 0.332646 Mg\n0.800313 0.999774 0.332646 Mg\n0.199460 0.999774 0.332646 Mg\n0.600274 0.000000 0.333116 Mg\n0.399762 0.000000 0.333116 Mg\n0.399762 0.399726 0.333116 Mg\n0.000000 0.399726 0.333116 Mg\n0.000000 0.600239 0.333116 Mg\n0.600274 0.600239 0.333116 Mg\n0.199968 0.399934 0.333216 Mg\n0.600065 0.800033 0.333216 Mg\n0.199968 0.800033 0.333216 Mg\n0.600013 0.200027 0.333298 Mg\n0.600013 0.399987 0.333298 Mg\n0.799973 0.399987 0.333298 Mg\n0.399997 0.199998 0.333425 Mg\n0.800002 0.199999 0.333425 Mg\n0.800002 0.600003 0.333425 Mg\n0.400015 0.599985 0.333436 Mg\n0.199970 0.599985 0.333436 Mg\n0.400015 0.800030 0.333436 Mg\n0.066574 0.133148 0.500000 Mg\n0.266544 0.133272 0.500000 Mg\n0.866728 0.133272 0.500000 Mg\n0.466813 0.133398 0.500000 Mg\n0.666585 0.133398 0.500000 Mg\n0.066480 0.333150 0.500000 Mg\n0.266671 0.333151 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466813 0.333415 0.500000 Mg\n0.866602 0.333415 0.500000 Mg\n0.666585 0.533186 0.500000 Mg\n0.866602 0.533186 0.500000 Mg\n0.066525 0.533262 0.500000 Mg\n0.466737 0.533262 0.500000 Mg\n0.266638 0.533276 0.500000 Mg\n0.066480 0.733329 0.500000 Mg\n0.666850 0.733330 0.500000 Mg\n0.266638 0.733362 0.500000 Mg\n0.466724 0.733362 0.500000 Mg\n0.866728 0.733456 0.500000 Mg\n0.066574 0.933426 0.500000 Mg\n0.866851 0.933426 0.500000 Mg\n0.466737 0.933474 0.500000 Mg\n0.266671 0.933520 0.500000 Mg\n0.666850 0.933520 0.500000 Mg\n0.400015 0.599985 0.666564 Mg\n0.199970 0.599985 0.666564 Mg\n0.400015 0.800030 0.666564 Mg\n0.399997 0.199998 0.666575 Mg\n0.800002 0.199999 0.666575 Mg\n0.800002 0.600003 0.666575 Mg\n0.600013 0.200027 0.666702 Mg\n0.600013 0.399987 0.666702 Mg\n0.799973 0.399987 0.666702 Mg\n0.199968 0.399934 0.666784 Mg\n0.600065 0.800033 0.666784 Mg\n0.199968 0.800033 0.666784 Mg\n0.600274 0.000000 0.666884 Mg\n0.399762 0.000000 0.666884 Mg\n0.399762 0.399726 0.666884 Mg\n0.000000 0.399726 0.666884 Mg\n0.000000 0.600239 0.666884 Mg\n0.600274 0.600239 0.666884 Mg\n0.199460 0.199686 0.667354 Mg\n0.000226 0.199686 0.667354 Mg\n0.800313 0.800539 0.667354 Mg\n0.000226 0.800540 0.667354 Mg\n0.800313 0.999774 0.667354 Mg\n0.199460 0.999774 0.667354 Mg\n0.000000 0.000000 0.667915 Mg\n0.267621 0.133810 0.832738 Mg\n0.866190 0.133810 0.832738 Mg\n0.866190 0.732379 0.832738 Mg\n0.666667 0.333333 0.833402 Mg\n0.266458 0.532915 0.833428 Mg\n0.467084 0.733542 0.833428 Mg\n0.266458 0.733542 0.833428 Mg\n0.466866 0.133386 0.833450 Mg\n0.666519 0.133386 0.833450 Mg\n0.466866 0.333480 0.833450 Mg\n0.866614 0.333480 0.833450 Mg\n0.666519 0.533133 0.833450 Mg\n0.866614 0.533133 0.833450 Mg\n0.066701 0.533350 0.833554 Mg\n0.466650 0.533350 0.833554 Mg\n0.466650 0.933299 0.833554 Mg\n0.066285 0.332051 0.833907 Mg\n0.265766 0.332051 0.833907 Mg\n0.066285 0.734234 0.833907 Mg\n0.667949 0.734234 0.833907 Mg\n0.265766 0.933715 0.833907 Mg\n0.667949 0.933716 0.833907 Mg\n0.065467 0.130934 0.836595 Mg\n0.869066 0.934533 0.836595 Mg\n0.065467 0.934533 0.836595 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ag",
"Mg"
],
"chemical_system": "Ag-Mg",
"density": 1.8132817206471687,
"density_atomic": 0.04392164392244896,
"volume": 3415.17271677832,
"volume_molar": 13.711100546767106,
"formula_full": "Mg149 Ag1",
"formula_reduced": "Mg149Ag",
"formula_anonymous": "AB149",
"formation_energy": -0.0025570629555589,
"spacegroup": 187
},
{
"id": "oqmd-31735",
"created_at": "2022-09-04T14:49:04.588970Z",
"updated_at": "2022-09-04T14:49:04.589000Z",
"structure_string": "Mg149 Fe1\n1.0\n13.758188 -7.943298 0.000000\n0.000000 15.886594 0.000000\n0.000000 0.000000 15.512263\nFe Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Fe\n0.397430 0.000257 0.000000 Mg\n0.602828 0.000257 0.000000 Mg\n0.811178 0.001728 0.000000 Mg\n0.190550 0.001728 0.000000 Mg\n0.998272 0.188821 0.000000 Mg\n0.190550 0.188822 0.000000 Mg\n0.801155 0.198845 0.000000 Mg\n0.397690 0.198845 0.000000 Mg\n0.599752 0.199504 0.000000 Mg\n0.397430 0.397173 0.000000 Mg\n0.999744 0.397173 0.000000 Mg\n0.198628 0.397257 0.000000 Mg\n0.599752 0.400248 0.000000 Mg\n0.800496 0.400248 0.000000 Mg\n0.199540 0.599770 0.000000 Mg\n0.400230 0.599770 0.000000 Mg\n0.801155 0.602310 0.000000 Mg\n0.999744 0.602571 0.000000 Mg\n0.602828 0.602571 0.000000 Mg\n0.400230 0.800460 0.000000 Mg\n0.198628 0.801371 0.000000 Mg\n0.602743 0.801371 0.000000 Mg\n0.811178 0.809450 0.000000 Mg\n0.998272 0.809450 0.000000 Mg\n0.063164 0.126328 0.157726 Mg\n0.873672 0.936836 0.157726 Mg\n0.063164 0.936836 0.157726 Mg\n0.264762 0.331141 0.165642 Mg\n0.066379 0.331142 0.165642 Mg\n0.066379 0.735238 0.165642 Mg\n0.668859 0.735239 0.165642 Mg\n0.264762 0.933621 0.165642 Mg\n0.668859 0.933621 0.165642 Mg\n0.066691 0.533345 0.166347 Mg\n0.466654 0.533346 0.166347 Mg\n0.466654 0.933309 0.166347 Mg\n0.666603 0.133400 0.166698 Mg\n0.466797 0.133400 0.166698 Mg\n0.866600 0.333396 0.166698 Mg\n0.466797 0.333397 0.166698 Mg\n0.666603 0.533203 0.166698 Mg\n0.866600 0.533204 0.166698 Mg\n0.666667 0.333334 0.166784 Mg\n0.266534 0.533068 0.166796 Mg\n0.466931 0.733465 0.166796 Mg\n0.266534 0.733466 0.166796 Mg\n0.865961 0.134039 0.167103 Mg\n0.268078 0.134039 0.167103 Mg\n0.865961 0.731922 0.167103 Mg\n0.198616 0.199188 0.331084 Mg\n0.000573 0.199189 0.331084 Mg\n0.800811 0.801384 0.331084 Mg\n0.000573 0.801384 0.331084 Mg\n0.800811 0.999427 0.331084 Mg\n0.198616 0.999427 0.331084 Mg\n0.000000 0.000000 0.331515 Mg\n0.600338 0.000000 0.333137 Mg\n0.399716 0.000000 0.333137 Mg\n0.399716 0.399662 0.333137 Mg\n0.000000 0.399662 0.333137 Mg\n0.600338 0.600284 0.333137 Mg\n0.000000 0.600284 0.333137 Mg\n0.600021 0.200041 0.333328 Mg\n0.799959 0.399979 0.333328 Mg\n0.600021 0.399980 0.333328 Mg\n0.200097 0.400193 0.333370 Mg\n0.599807 0.799903 0.333370 Mg\n0.200097 0.799904 0.333370 Mg\n0.400004 0.200002 0.333375 Mg\n0.799999 0.200002 0.333375 Mg\n0.799999 0.599996 0.333375 Mg\n0.200005 0.600002 0.333730 Mg\n0.399997 0.600003 0.333730 Mg\n0.399997 0.799995 0.333730 Mg\n0.866780 0.133219 0.500000 Mg\n0.266440 0.133220 0.500000 Mg\n0.066659 0.133318 0.500000 Mg\n0.466910 0.133603 0.500000 Mg\n0.666694 0.133603 0.500000 Mg\n0.266713 0.333107 0.500000 Mg\n0.066394 0.333107 0.500000 Mg\n0.866398 0.333306 0.500000 Mg\n0.466910 0.333307 0.500000 Mg\n0.666667 0.333334 0.500000 Mg\n0.666694 0.533091 0.500000 Mg\n0.866398 0.533091 0.500000 Mg\n0.066461 0.533230 0.500000 Mg\n0.466769 0.533231 0.500000 Mg\n0.266661 0.533322 0.500000 Mg\n0.666893 0.733287 0.500000 Mg\n0.066394 0.733287 0.500000 Mg\n0.466678 0.733339 0.500000 Mg\n0.266661 0.733339 0.500000 Mg\n0.866780 0.733561 0.500000 Mg\n0.866682 0.933340 0.500000 Mg\n0.066659 0.933341 0.500000 Mg\n0.466769 0.933539 0.500000 Mg\n0.666893 0.933606 0.500000 Mg\n0.266713 0.933606 0.500000 Mg\n0.200005 0.600002 0.666270 Mg\n0.399997 0.600003 0.666270 Mg\n0.399997 0.799995 0.666270 Mg\n0.400004 0.200002 0.666625 Mg\n0.799999 0.200002 0.666625 Mg\n0.799999 0.599996 0.666625 Mg\n0.200097 0.400193 0.666631 Mg\n0.599807 0.799903 0.666631 Mg\n0.200097 0.799904 0.666631 Mg\n0.600021 0.200041 0.666673 Mg\n0.799959 0.399979 0.666673 Mg\n0.600021 0.399980 0.666673 Mg\n0.600338 0.000000 0.666863 Mg\n0.399716 0.000000 0.666863 Mg\n0.399716 0.399662 0.666863 Mg\n0.000000 0.399662 0.666863 Mg\n0.600338 0.600284 0.666863 Mg\n0.000000 0.600284 0.666863 Mg\n0.000000 0.000000 0.668485 Mg\n0.198616 0.199188 0.668916 Mg\n0.000573 0.199189 0.668916 Mg\n0.800811 0.801384 0.668916 Mg\n0.000573 0.801384 0.668916 Mg\n0.800811 0.999427 0.668916 Mg\n0.198616 0.999427 0.668916 Mg\n0.865961 0.134039 0.832897 Mg\n0.268078 0.134039 0.832897 Mg\n0.865961 0.731922 0.832897 Mg\n0.266534 0.533068 0.833203 Mg\n0.466931 0.733465 0.833203 Mg\n0.266534 0.733466 0.833203 Mg\n0.666667 0.333334 0.833216 Mg\n0.666603 0.133400 0.833302 Mg\n0.466797 0.133400 0.833302 Mg\n0.866600 0.333396 0.833302 Mg\n0.466797 0.333397 0.833302 Mg\n0.666603 0.533203 0.833302 Mg\n0.866600 0.533204 0.833302 Mg\n0.066691 0.533345 0.833653 Mg\n0.466654 0.533346 0.833653 Mg\n0.466654 0.933309 0.833653 Mg\n0.264762 0.331141 0.834358 Mg\n0.066379 0.331142 0.834358 Mg\n0.066379 0.735238 0.834358 Mg\n0.668859 0.735239 0.834358 Mg\n0.264762 0.933621 0.834358 Mg\n0.668859 0.933621 0.834358 Mg\n0.063164 0.126328 0.842275 Mg\n0.873672 0.936836 0.842275 Mg\n0.063164 0.936836 0.842275 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Fe",
"Mg"
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"chemical_system": "Fe-Mg",
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{
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"elements": [
"Mg",
"N"
],
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"density": 1.7758957336346262,
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"volume": 3399.3040572445,
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"formula_full": "Mg149 N1",
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{
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"structure_string": "Nd1 Mg149\n1.0\n13.826533 -7.982756 0.000000\n0.000000 15.965512 0.000000\n0.000000 0.000000 15.626301\nMg Nd\n149 1\ndirect\n0.599978 0.199957 0.000000 Mg\n0.401339 0.200670 0.000000 Mg\n0.799331 0.200670 0.000000 Mg\n0.003413 0.206073 0.000000 Mg\n0.202660 0.206073 0.000000 Mg\n0.599978 0.400021 0.000000 Mg\n0.800043 0.400021 0.000000 Mg\n0.400159 0.400344 0.000000 Mg\n0.000186 0.400344 0.000000 Mg\n0.201755 0.403509 0.000000 Mg\n0.799331 0.598660 0.000000 Mg\n0.000186 0.599841 0.000000 Mg\n0.599656 0.599841 0.000000 Mg\n0.399718 0.600283 0.000000 Mg\n0.200565 0.600283 0.000000 Mg\n0.003413 0.797340 0.000000 Mg\n0.793927 0.797340 0.000000 Mg\n0.201755 0.798246 0.000000 Mg\n0.596491 0.798246 0.000000 Mg\n0.399718 0.799435 0.000000 Mg\n0.793927 0.996587 0.000000 Mg\n0.202660 0.996587 0.000000 Mg\n0.599656 0.999814 0.000000 Mg\n0.400159 0.999815 0.000000 Mg\n0.262869 0.131435 0.164359 Mg\n0.868566 0.131435 0.164359 Mg\n0.868566 0.737131 0.164359 Mg\n0.666667 0.333333 0.166292 Mg\n0.465333 0.132744 0.166483 Mg\n0.667411 0.132744 0.166483 Mg\n0.867256 0.332589 0.166483 Mg\n0.465333 0.332589 0.166483 Mg\n0.667411 0.534667 0.166483 Mg\n0.867256 0.534667 0.166483 Mg\n0.466693 0.533307 0.167331 Mg\n0.066615 0.533308 0.167331 Mg\n0.466693 0.933385 0.167331 Mg\n0.267201 0.534402 0.167478 Mg\n0.267201 0.732799 0.167478 Mg\n0.465598 0.732799 0.167478 Mg\n0.068008 0.336123 0.167802 Mg\n0.268116 0.336123 0.167802 Mg\n0.068008 0.731884 0.167802 Mg\n0.663877 0.731884 0.167802 Mg\n0.663877 0.931993 0.167802 Mg\n0.268116 0.931993 0.167802 Mg\n0.068205 0.136411 0.170402 Mg\n0.068205 0.931794 0.170402 Mg\n0.863590 0.931795 0.170402 Mg\n0.800070 0.199930 0.332829 Mg\n0.399859 0.199930 0.332829 Mg\n0.800070 0.600141 0.332829 Mg\n0.600085 0.200169 0.332922 Mg\n0.799831 0.399916 0.332922 Mg\n0.600085 0.399916 0.332922 Mg\n0.200682 0.000000 0.333684 Mg\n0.799404 0.000000 0.333684 Mg\n0.000000 0.200595 0.333684 Mg\n0.200682 0.200596 0.333684 Mg\n0.799404 0.799318 0.333684 Mg\n0.000000 0.799318 0.333684 Mg\n0.599721 0.000213 0.333758 Mg\n0.400492 0.000213 0.333758 Mg\n0.400492 0.400279 0.333758 Mg\n0.999787 0.400279 0.333758 Mg\n0.999787 0.599508 0.333758 Mg\n0.599721 0.599508 0.333758 Mg\n0.399958 0.600042 0.333897 Mg\n0.200085 0.600043 0.333897 Mg\n0.399958 0.799915 0.333897 Mg\n0.200321 0.400641 0.334160 Mg\n0.200321 0.799679 0.334160 Mg\n0.599359 0.799680 0.334160 Mg\n0.000000 0.000000 0.334468 Mg\n0.866504 0.133495 0.500000 Mg\n0.266991 0.133496 0.500000 Mg\n0.066790 0.133581 0.500000 Mg\n0.467165 0.134276 0.500000 Mg\n0.667112 0.134277 0.500000 Mg\n0.865723 0.332888 0.500000 Mg\n0.467165 0.332888 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266916 0.333689 0.500000 Mg\n0.066774 0.333690 0.500000 Mg\n0.865723 0.532835 0.500000 Mg\n0.667112 0.532836 0.500000 Mg\n0.466859 0.533141 0.500000 Mg\n0.066282 0.533141 0.500000 Mg\n0.266764 0.533528 0.500000 Mg\n0.866504 0.733009 0.500000 Mg\n0.666310 0.733084 0.500000 Mg\n0.066774 0.733084 0.500000 Mg\n0.266764 0.733236 0.500000 Mg\n0.466472 0.733236 0.500000 Mg\n0.066790 0.933210 0.500000 Mg\n0.866420 0.933210 0.500000 Mg\n0.666310 0.933226 0.500000 Mg\n0.266916 0.933226 0.500000 Mg\n0.466859 0.933718 0.500000 Mg\n0.000000 0.000000 0.665532 Mg\n0.200321 0.400641 0.665840 Mg\n0.200321 0.799679 0.665840 Mg\n0.599359 0.799680 0.665840 Mg\n0.399958 0.600042 0.666103 Mg\n0.200085 0.600043 0.666103 Mg\n0.399958 0.799915 0.666103 Mg\n0.599721 0.000213 0.666242 Mg\n0.400492 0.000213 0.666242 Mg\n0.400492 0.400279 0.666242 Mg\n0.999787 0.400279 0.666242 Mg\n0.999787 0.599508 0.666242 Mg\n0.599721 0.599508 0.666242 Mg\n0.200682 0.000000 0.666316 Mg\n0.799404 0.000000 0.666316 Mg\n0.000000 0.200595 0.666316 Mg\n0.200682 0.200596 0.666316 Mg\n0.799404 0.799318 0.666316 Mg\n0.000000 0.799318 0.666316 Mg\n0.600085 0.200169 0.667078 Mg\n0.799831 0.399916 0.667078 Mg\n0.600085 0.399916 0.667078 Mg\n0.800070 0.199930 0.667171 Mg\n0.399859 0.199930 0.667171 Mg\n0.800070 0.600141 0.667171 Mg\n0.068205 0.136411 0.829597 Mg\n0.068205 0.931794 0.829597 Mg\n0.863590 0.931795 0.829597 Mg\n0.068008 0.336123 0.832198 Mg\n0.268116 0.336123 0.832198 Mg\n0.068008 0.731884 0.832198 Mg\n0.663877 0.731884 0.832198 Mg\n0.663877 0.931993 0.832198 Mg\n0.268116 0.931993 0.832198 Mg\n0.267201 0.534402 0.832522 Mg\n0.267201 0.732799 0.832522 Mg\n0.465598 0.732799 0.832522 Mg\n0.466693 0.533307 0.832669 Mg\n0.066615 0.533308 0.832669 Mg\n0.466693 0.933385 0.832669 Mg\n0.465333 0.132744 0.833517 Mg\n0.667411 0.132744 0.833517 Mg\n0.867256 0.332589 0.833517 Mg\n0.465333 0.332589 0.833517 Mg\n0.667411 0.534667 0.833517 Mg\n0.867256 0.534667 0.833517 Mg\n0.666667 0.333333 0.833708 Mg\n0.262869 0.131435 0.835641 Mg\n0.868566 0.131435 0.835641 Mg\n0.868566 0.737131 0.835641 Mg\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Nd"
],
"chemical_system": "Mg-Nd",
"density": 1.8127628229077652,
"density_atomic": 0.0434849453279764,
"volume": 3449.4696697593927,
"volume_molar": 13.84879459909452,
"formula_full": "Nd1 Mg149",
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},
{
"id": "oqmd-31725",
"created_at": "2022-09-04T15:16:52.976982Z",
"updated_at": "2022-09-04T15:16:52.977009Z",
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"elements": [
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"density": 1.8112959013327457,
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"formula_full": "Ce1 Mg149",
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{
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"updated_at": "2022-09-04T14:49:02.469180Z",
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"elements": [
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"chemical_system": "H-Mg",
"density": 1.760876883563205,
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"volume": 3416.0392926608115,
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{
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"created_at": "2022-09-04T14:49:02.217714Z",
"updated_at": "2022-09-04T14:49:02.217737Z",
"structure_string": "Mg149 Cr1\n1.0\n13.781662 -7.956850 0.000000\n0.000000 15.913699 0.000000\n0.000000 0.000000 15.600209\nCr Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cr\n0.398870 0.000000 0.000000 Mg\n0.601166 0.000000 0.000000 Mg\n0.804565 0.000320 0.000000 Mg\n0.195756 0.000320 0.000000 Mg\n0.195756 0.195435 0.000000 Mg\n0.999680 0.195436 0.000000 Mg\n0.399204 0.199602 0.000000 Mg\n0.800398 0.199603 0.000000 Mg\n0.599850 0.199700 0.000000 Mg\n0.000000 0.398834 0.000000 Mg\n0.398870 0.398834 0.000000 Mg\n0.199581 0.399162 0.000000 Mg\n0.800300 0.400150 0.000000 Mg\n0.599850 0.400150 0.000000 Mg\n0.199876 0.599938 0.000000 Mg\n0.400062 0.599939 0.000000 Mg\n0.800398 0.600795 0.000000 Mg\n0.000000 0.601130 0.000000 Mg\n0.601166 0.601130 0.000000 Mg\n0.400062 0.800123 0.000000 Mg\n0.199581 0.800419 0.000000 Mg\n0.600838 0.800419 0.000000 Mg\n0.999680 0.804244 0.000000 Mg\n0.804565 0.804245 0.000000 Mg\n0.065163 0.130327 0.162801 Mg\n0.065163 0.934836 0.162801 Mg\n0.869673 0.934837 0.162801 Mg\n0.266001 0.332637 0.166343 Mg\n0.066636 0.332638 0.166343 Mg\n0.066636 0.733999 0.166343 Mg\n0.667363 0.733999 0.166343 Mg\n0.667363 0.933364 0.166343 Mg\n0.266001 0.933364 0.166343 Mg\n0.466674 0.533325 0.166513 Mg\n0.066651 0.533325 0.166513 Mg\n0.466674 0.933349 0.166513 Mg\n0.666666 0.333333 0.166538 Mg\n0.666687 0.133313 0.166597 Mg\n0.466626 0.133313 0.166597 Mg\n0.866687 0.333313 0.166597 Mg\n0.466626 0.333313 0.166597 Mg\n0.866687 0.533374 0.166597 Mg\n0.666687 0.533375 0.166597 Mg\n0.266614 0.533229 0.166746 Mg\n0.266614 0.733385 0.166746 Mg\n0.466771 0.733386 0.166746 Mg\n0.866421 0.133579 0.166757 Mg\n0.267158 0.133579 0.166757 Mg\n0.866421 0.732842 0.166757 Mg\n0.000239 0.199652 0.332353 Mg\n0.199413 0.199652 0.332353 Mg\n0.000239 0.800587 0.332353 Mg\n0.800348 0.800588 0.332353 Mg\n0.800348 0.999761 0.332353 Mg\n0.199413 0.999761 0.332353 Mg\n0.000000 0.000000 0.332772 Mg\n0.600199 0.000000 0.333183 Mg\n0.399849 0.000000 0.333183 Mg\n0.399849 0.399800 0.333183 Mg\n0.000000 0.399801 0.333183 Mg\n0.000000 0.600150 0.333183 Mg\n0.600199 0.600150 0.333183 Mg\n0.600007 0.200014 0.333258 Mg\n0.600007 0.399993 0.333258 Mg\n0.799986 0.399993 0.333258 Mg\n0.399952 0.199976 0.333346 Mg\n0.800024 0.199976 0.333346 Mg\n0.800024 0.600048 0.333346 Mg\n0.200063 0.400126 0.333416 Mg\n0.599874 0.799937 0.333416 Mg\n0.200063 0.799937 0.333416 Mg\n0.400011 0.599988 0.333538 Mg\n0.199977 0.599988 0.333538 Mg\n0.400011 0.800023 0.333538 Mg\n0.866758 0.133242 0.500000 Mg\n0.266483 0.133242 0.500000 Mg\n0.066624 0.133249 0.500000 Mg\n0.466830 0.133542 0.500000 Mg\n0.666711 0.133542 0.500000 Mg\n0.266628 0.333118 0.500000 Mg\n0.066490 0.333119 0.500000 Mg\n0.466830 0.333288 0.500000 Mg\n0.866458 0.333289 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.666711 0.533169 0.500000 Mg\n0.866458 0.533169 0.500000 Mg\n0.466763 0.533236 0.500000 Mg\n0.066474 0.533237 0.500000 Mg\n0.266635 0.533270 0.500000 Mg\n0.266635 0.733365 0.500000 Mg\n0.466730 0.733365 0.500000 Mg\n0.066490 0.733371 0.500000 Mg\n0.666882 0.733372 0.500000 Mg\n0.866758 0.733517 0.500000 Mg\n0.066624 0.933376 0.500000 Mg\n0.866751 0.933376 0.500000 Mg\n0.666882 0.933510 0.500000 Mg\n0.266628 0.933510 0.500000 Mg\n0.466763 0.933526 0.500000 Mg\n0.400011 0.599988 0.666462 Mg\n0.199977 0.599988 0.666462 Mg\n0.400011 0.800023 0.666462 Mg\n0.200063 0.400126 0.666584 Mg\n0.599874 0.799937 0.666584 Mg\n0.200063 0.799937 0.666584 Mg\n0.399952 0.199976 0.666654 Mg\n0.800024 0.199976 0.666654 Mg\n0.800024 0.600048 0.666654 Mg\n0.600007 0.200014 0.666742 Mg\n0.600007 0.399993 0.666742 Mg\n0.799986 0.399993 0.666742 Mg\n0.600199 0.000000 0.666817 Mg\n0.399849 0.000000 0.666817 Mg\n0.399849 0.399800 0.666817 Mg\n0.000000 0.399801 0.666817 Mg\n0.000000 0.600150 0.666817 Mg\n0.600199 0.600150 0.666817 Mg\n0.000000 0.000000 0.667228 Mg\n0.000239 0.199652 0.667647 Mg\n0.199413 0.199652 0.667647 Mg\n0.000239 0.800587 0.667647 Mg\n0.800348 0.800588 0.667647 Mg\n0.800348 0.999761 0.667647 Mg\n0.199413 0.999761 0.667647 Mg\n0.866421 0.133579 0.833243 Mg\n0.267158 0.133579 0.833243 Mg\n0.866421 0.732842 0.833243 Mg\n0.266614 0.533229 0.833254 Mg\n0.266614 0.733385 0.833254 Mg\n0.466771 0.733386 0.833254 Mg\n0.666687 0.133313 0.833403 Mg\n0.466626 0.133313 0.833403 Mg\n0.866687 0.333313 0.833403 Mg\n0.466626 0.333313 0.833403 Mg\n0.866687 0.533374 0.833403 Mg\n0.666687 0.533375 0.833403 Mg\n0.666666 0.333333 0.833463 Mg\n0.466674 0.533325 0.833487 Mg\n0.066651 0.533325 0.833487 Mg\n0.466674 0.933349 0.833487 Mg\n0.266001 0.332637 0.833656 Mg\n0.066636 0.332638 0.833656 Mg\n0.066636 0.733999 0.833656 Mg\n0.667363 0.733999 0.833656 Mg\n0.667363 0.933364 0.833656 Mg\n0.266001 0.933364 0.833656 Mg\n0.065163 0.130327 0.837199 Mg\n0.065163 0.934836 0.837199 Mg\n0.869673 0.934837 0.837199 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
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"chemical_system": "Cr-Mg",
"density": 1.7828673332556315,
"density_atomic": 0.04384177294001641,
"volume": 3421.394481587857,
"volume_molar": 13.736079442406202,
"formula_full": "Mg149 Cr1",
"formula_reduced": "Mg149Cr",
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{
"id": "oqmd-31776",
"created_at": "2022-09-04T14:49:03.239139Z",
"updated_at": "2022-09-04T14:49:03.239162Z",
"structure_string": "Mg149 Se1\n1.0\n13.787064 -7.959968 0.000000\n0.000000 15.919937 0.000000\n0.000000 0.000000 15.617647\nMg Se\n149 1\ndirect\n0.801014 0.001493 0.000000 Mg\n0.200479 0.001494 0.000000 Mg\n0.998506 0.198986 0.000000 Mg\n0.200479 0.198986 0.000000 Mg\n0.800191 0.199808 0.000000 Mg\n0.399617 0.199809 0.000000 Mg\n0.600146 0.200291 0.000000 Mg\n0.199107 0.398214 0.000000 Mg\n0.799709 0.399855 0.000000 Mg\n0.600146 0.399855 0.000000 Mg\n0.400411 0.400812 0.000000 Mg\n0.000401 0.400812 0.000000 Mg\n0.599188 0.599589 0.000000 Mg\n0.000401 0.599589 0.000000 Mg\n0.399916 0.600083 0.000000 Mg\n0.200167 0.600084 0.000000 Mg\n0.800191 0.600383 0.000000 Mg\n0.801014 0.799520 0.000000 Mg\n0.998506 0.799521 0.000000 Mg\n0.399916 0.799833 0.000000 Mg\n0.199107 0.800893 0.000000 Mg\n0.601786 0.800893 0.000000 Mg\n0.400411 0.999599 0.000000 Mg\n0.599188 0.999599 0.000000 Mg\n0.066066 0.332126 0.166128 Mg\n0.266061 0.332127 0.166128 Mg\n0.667873 0.733939 0.166128 Mg\n0.066066 0.733939 0.166128 Mg\n0.667873 0.933934 0.166128 Mg\n0.266061 0.933934 0.166128 Mg\n0.266324 0.532649 0.166130 Mg\n0.266324 0.733675 0.166130 Mg\n0.467351 0.733676 0.166130 Mg\n0.666667 0.333333 0.166179 Mg\n0.666746 0.133195 0.166224 Mg\n0.466449 0.133195 0.166224 Mg\n0.866805 0.333254 0.166224 Mg\n0.466449 0.333254 0.166224 Mg\n0.866805 0.533551 0.166224 Mg\n0.666746 0.533551 0.166224 Mg\n0.466621 0.533379 0.166540 Mg\n0.066758 0.533379 0.166540 Mg\n0.466621 0.933242 0.166540 Mg\n0.066380 0.132761 0.166687 Mg\n0.867239 0.933620 0.166687 Mg\n0.066380 0.933620 0.166687 Mg\n0.266353 0.133177 0.167121 Mg\n0.866823 0.133177 0.167121 Mg\n0.866823 0.733647 0.167121 Mg\n0.000000 0.000000 0.331465 Mg\n0.199790 0.399581 0.332735 Mg\n0.600419 0.800209 0.332735 Mg\n0.199790 0.800209 0.332735 Mg\n0.399771 0.199886 0.332986 Mg\n0.800115 0.199886 0.332986 Mg\n0.800115 0.600229 0.332986 Mg\n0.599996 0.199993 0.333023 Mg\n0.599996 0.400003 0.333023 Mg\n0.800006 0.400003 0.333023 Mg\n0.200029 0.600014 0.333099 Mg\n0.399986 0.600015 0.333099 Mg\n0.399986 0.799971 0.333099 Mg\n0.399869 0.399901 0.333109 Mg\n0.000000 0.399902 0.333109 Mg\n0.600099 0.600131 0.333109 Mg\n0.000000 0.600131 0.333109 Mg\n0.399869 0.000000 0.333109 Mg\n0.600099 0.000000 0.333109 Mg\n0.199858 0.199953 0.333648 Mg\n0.000000 0.199953 0.333648 Mg\n0.000000 0.800142 0.333648 Mg\n0.800047 0.800142 0.333648 Mg\n0.199858 0.000000 0.333648 Mg\n0.800047 0.000000 0.333648 Mg\n0.066506 0.133011 0.500000 Mg\n0.866646 0.133353 0.500000 Mg\n0.266707 0.133354 0.500000 Mg\n0.666607 0.133380 0.500000 Mg\n0.466773 0.133380 0.500000 Mg\n0.266540 0.333219 0.500000 Mg\n0.066679 0.333220 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866620 0.333393 0.500000 Mg\n0.466773 0.333393 0.500000 Mg\n0.866620 0.533227 0.500000 Mg\n0.666607 0.533227 0.500000 Mg\n0.266705 0.533410 0.500000 Mg\n0.066855 0.533428 0.500000 Mg\n0.466572 0.533428 0.500000 Mg\n0.866646 0.733293 0.500000 Mg\n0.466590 0.733295 0.500000 Mg\n0.266705 0.733295 0.500000 Mg\n0.066679 0.733459 0.500000 Mg\n0.666780 0.733459 0.500000 Mg\n0.466572 0.933144 0.500000 Mg\n0.266540 0.933320 0.500000 Mg\n0.666780 0.933321 0.500000 Mg\n0.066506 0.933494 0.500000 Mg\n0.866988 0.933494 0.500000 Mg\n0.199858 0.199953 0.666351 Mg\n0.000000 0.199953 0.666351 Mg\n0.000000 0.800142 0.666351 Mg\n0.800047 0.800142 0.666351 Mg\n0.199858 0.000000 0.666351 Mg\n0.800047 0.000000 0.666351 Mg\n0.399869 0.399901 0.666890 Mg\n0.000000 0.399902 0.666890 Mg\n0.600099 0.600131 0.666890 Mg\n0.000000 0.600131 0.666890 Mg\n0.399869 0.000000 0.666890 Mg\n0.600099 0.000000 0.666890 Mg\n0.200029 0.600014 0.666901 Mg\n0.399986 0.600015 0.666901 Mg\n0.399986 0.799971 0.666901 Mg\n0.599996 0.199993 0.666977 Mg\n0.599996 0.400003 0.666977 Mg\n0.800006 0.400003 0.666977 Mg\n0.399771 0.199886 0.667014 Mg\n0.800115 0.199886 0.667014 Mg\n0.800115 0.600229 0.667014 Mg\n0.199790 0.399581 0.667265 Mg\n0.600419 0.800209 0.667265 Mg\n0.199790 0.800209 0.667265 Mg\n0.000000 0.000000 0.668534 Mg\n0.266353 0.133177 0.832879 Mg\n0.866823 0.133177 0.832879 Mg\n0.866823 0.733647 0.832879 Mg\n0.066380 0.132761 0.833313 Mg\n0.867239 0.933620 0.833313 Mg\n0.066380 0.933620 0.833313 Mg\n0.466621 0.533379 0.833459 Mg\n0.066758 0.533379 0.833459 Mg\n0.466621 0.933242 0.833459 Mg\n0.666746 0.133195 0.833776 Mg\n0.466449 0.133195 0.833776 Mg\n0.866805 0.333254 0.833776 Mg\n0.466449 0.333254 0.833776 Mg\n0.866805 0.533551 0.833776 Mg\n0.666746 0.533551 0.833776 Mg\n0.666667 0.333333 0.833822 Mg\n0.266324 0.532649 0.833870 Mg\n0.266324 0.733675 0.833870 Mg\n0.467351 0.733676 0.833870 Mg\n0.066066 0.332126 0.833872 Mg\n0.266061 0.332127 0.833872 Mg\n0.667873 0.733939 0.833872 Mg\n0.066066 0.733939 0.833872 Mg\n0.667873 0.933934 0.833872 Mg\n0.266061 0.933934 0.833872 Mg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 1.792543145929069,
"density_atomic": 0.043758509461350494,
"volume": 3427.904694342636,
"volume_molar": 13.762216387464086,
"formula_full": "Mg149 Se1",
"formula_reduced": "Mg149Se",
"formula_anonymous": "AB149",
"formation_energy": -0.0054033689722255,
"spacegroup": 187
},
{
"id": "oqmd-31793",
"created_at": "2022-09-04T14:49:02.770856Z",
"updated_at": "2022-09-04T14:49:02.770876Z",
"structure_string": "Yb1 Mg149\n1.0\n13.815268 -7.976252 0.000000\n0.000000 15.952504 0.000000\n0.000000 0.000000 15.653523\nMg Yb\n149 1\ndirect\n0.600093 0.200187 0.000000 Mg\n0.400815 0.200407 0.000000 Mg\n0.799593 0.200408 0.000000 Mg\n0.002588 0.206483 0.000000 Mg\n0.203895 0.206483 0.000000 Mg\n0.600093 0.399906 0.000000 Mg\n0.799813 0.399906 0.000000 Mg\n0.000308 0.401107 0.000000 Mg\n0.400799 0.401107 0.000000 Mg\n0.201594 0.403187 0.000000 Mg\n0.799593 0.599185 0.000000 Mg\n0.000308 0.599200 0.000000 Mg\n0.598892 0.599200 0.000000 Mg\n0.399690 0.600309 0.000000 Mg\n0.200619 0.600309 0.000000 Mg\n0.002588 0.796105 0.000000 Mg\n0.793517 0.796105 0.000000 Mg\n0.596814 0.798407 0.000000 Mg\n0.201594 0.798407 0.000000 Mg\n0.399690 0.799381 0.000000 Mg\n0.203895 0.997413 0.000000 Mg\n0.793517 0.997413 0.000000 Mg\n0.400799 0.999692 0.000000 Mg\n0.598892 0.999692 0.000000 Mg\n0.263816 0.131908 0.165013 Mg\n0.868092 0.131908 0.165013 Mg\n0.868092 0.736184 0.165013 Mg\n0.666667 0.333333 0.166294 Mg\n0.465786 0.132939 0.166513 Mg\n0.667153 0.132939 0.166513 Mg\n0.867061 0.332847 0.166513 Mg\n0.465786 0.332847 0.166513 Mg\n0.667153 0.534214 0.166513 Mg\n0.867061 0.534214 0.166513 Mg\n0.466683 0.533316 0.167360 Mg\n0.066634 0.533317 0.167360 Mg\n0.466683 0.933366 0.167360 Mg\n0.267076 0.534153 0.167383 Mg\n0.267076 0.732923 0.167383 Mg\n0.465847 0.732923 0.167383 Mg\n0.267916 0.335581 0.167691 Mg\n0.067666 0.335582 0.167691 Mg\n0.067666 0.732084 0.167691 Mg\n0.664419 0.732084 0.167691 Mg\n0.267916 0.932334 0.167691 Mg\n0.664419 0.932334 0.167691 Mg\n0.068356 0.136713 0.170824 Mg\n0.863288 0.931644 0.170824 Mg\n0.068356 0.931644 0.170824 Mg\n0.800059 0.199941 0.332838 Mg\n0.399881 0.199941 0.332838 Mg\n0.800059 0.600118 0.332838 Mg\n0.600083 0.200166 0.332987 Mg\n0.799833 0.399917 0.332987 Mg\n0.600083 0.399917 0.332987 Mg\n0.599758 0.000231 0.333780 Mg\n0.400473 0.000231 0.333780 Mg\n0.400473 0.400242 0.333780 Mg\n0.999770 0.400242 0.333780 Mg\n0.599758 0.599527 0.333780 Mg\n0.999770 0.599528 0.333780 Mg\n0.400018 0.599982 0.333790 Mg\n0.199965 0.599982 0.333790 Mg\n0.400018 0.800035 0.333790 Mg\n0.200226 0.400453 0.334001 Mg\n0.599548 0.799774 0.334001 Mg\n0.200226 0.799774 0.334001 Mg\n0.799366 0.000145 0.334091 Mg\n0.200779 0.000145 0.334091 Mg\n0.200779 0.200634 0.334091 Mg\n0.999855 0.200634 0.334091 Mg\n0.799366 0.799221 0.334091 Mg\n0.999855 0.799221 0.334091 Mg\n0.000000 0.000000 0.334099 Mg\n0.066746 0.133492 0.500000 Mg\n0.267117 0.133558 0.500000 Mg\n0.866441 0.133559 0.500000 Mg\n0.666942 0.133959 0.500000 Mg\n0.467017 0.133959 0.500000 Mg\n0.467017 0.333058 0.500000 Mg\n0.866041 0.333058 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066817 0.333734 0.500000 Mg\n0.266918 0.333735 0.500000 Mg\n0.866041 0.532983 0.500000 Mg\n0.666942 0.532983 0.500000 Mg\n0.466748 0.533252 0.500000 Mg\n0.066504 0.533252 0.500000 Mg\n0.266806 0.533613 0.500000 Mg\n0.866441 0.732883 0.500000 Mg\n0.066817 0.733082 0.500000 Mg\n0.666266 0.733083 0.500000 Mg\n0.466387 0.733193 0.500000 Mg\n0.266806 0.733194 0.500000 Mg\n0.266918 0.933183 0.500000 Mg\n0.666266 0.933184 0.500000 Mg\n0.066746 0.933254 0.500000 Mg\n0.866508 0.933254 0.500000 Mg\n0.466748 0.933496 0.500000 Mg\n0.000000 0.000000 0.665901 Mg\n0.799366 0.000145 0.665909 Mg\n0.200779 0.000145 0.665909 Mg\n0.200779 0.200634 0.665909 Mg\n0.999855 0.200634 0.665909 Mg\n0.799366 0.799221 0.665909 Mg\n0.999855 0.799221 0.665909 Mg\n0.200226 0.400453 0.665999 Mg\n0.599548 0.799774 0.665999 Mg\n0.200226 0.799774 0.665999 Mg\n0.400018 0.599982 0.666210 Mg\n0.199965 0.599982 0.666210 Mg\n0.400018 0.800035 0.666210 Mg\n0.599758 0.000231 0.666220 Mg\n0.400473 0.000231 0.666220 Mg\n0.400473 0.400242 0.666220 Mg\n0.999770 0.400242 0.666220 Mg\n0.599758 0.599527 0.666220 Mg\n0.999770 0.599528 0.666220 Mg\n0.600083 0.200166 0.667013 Mg\n0.799833 0.399917 0.667013 Mg\n0.600083 0.399917 0.667013 Mg\n0.800059 0.199941 0.667162 Mg\n0.399881 0.199941 0.667162 Mg\n0.800059 0.600118 0.667162 Mg\n0.068356 0.136713 0.829177 Mg\n0.863288 0.931644 0.829177 Mg\n0.068356 0.931644 0.829177 Mg\n0.267916 0.335581 0.832308 Mg\n0.067666 0.335582 0.832308 Mg\n0.067666 0.732084 0.832308 Mg\n0.664419 0.732084 0.832308 Mg\n0.267916 0.932334 0.832308 Mg\n0.664419 0.932334 0.832308 Mg\n0.267076 0.534153 0.832617 Mg\n0.267076 0.732923 0.832617 Mg\n0.465847 0.732923 0.832617 Mg\n0.466683 0.533316 0.832639 Mg\n0.066634 0.533317 0.832639 Mg\n0.466683 0.933366 0.832639 Mg\n0.465786 0.132939 0.833487 Mg\n0.667153 0.132939 0.833487 Mg\n0.867061 0.332847 0.833487 Mg\n0.465786 0.332847 0.833487 Mg\n0.667153 0.534214 0.833487 Mg\n0.867061 0.534214 0.833487 Mg\n0.666667 0.333333 0.833706 Mg\n0.263816 0.131908 0.834987 Mg\n0.868092 0.131908 0.834987 Mg\n0.868092 0.736184 0.834987 Mg\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Yb"
],
"chemical_system": "Mg-Yb",
"density": 1.826424254226045,
"density_atomic": 0.04348014533024224,
"volume": 3449.8504745261002,
"volume_molar": 13.850323439032648,
"formula_full": "Yb1 Mg149",
"formula_reduced": "YbMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0014718816277744,
"spacegroup": 187
},
{
"id": "oqmd-31765",
"created_at": "2022-09-04T14:49:02.546509Z",
"updated_at": "2022-09-04T14:49:02.546537Z",
"structure_string": "Pm1 Mg149\n1.0\n13.824813 -7.981764 0.000000\n0.000000 15.963527 0.000000\n0.000000 0.000000 15.625452\nMg Pm\n149 1\ndirect\n0.599968 0.199935 0.000000 Mg\n0.401252 0.200626 0.000000 Mg\n0.799374 0.200626 0.000000 Mg\n0.003330 0.205607 0.000000 Mg\n0.202277 0.205607 0.000000 Mg\n0.599968 0.400033 0.000000 Mg\n0.800065 0.400033 0.000000 Mg\n0.000171 0.400219 0.000000 Mg\n0.400048 0.400220 0.000000 Mg\n0.201697 0.403395 0.000000 Mg\n0.799374 0.598748 0.000000 Mg\n0.000171 0.599952 0.000000 Mg\n0.599781 0.599953 0.000000 Mg\n0.200537 0.600268 0.000000 Mg\n0.399732 0.600268 0.000000 Mg\n0.794393 0.797723 0.000000 Mg\n0.003330 0.797723 0.000000 Mg\n0.596606 0.798303 0.000000 Mg\n0.201697 0.798303 0.000000 Mg\n0.399732 0.799464 0.000000 Mg\n0.794393 0.996670 0.000000 Mg\n0.202277 0.996670 0.000000 Mg\n0.400048 0.999829 0.000000 Mg\n0.599781 0.999829 0.000000 Mg\n0.262999 0.131499 0.164418 Mg\n0.868501 0.131500 0.164418 Mg\n0.868501 0.737001 0.164418 Mg\n0.666667 0.333333 0.166303 Mg\n0.465360 0.132758 0.166491 Mg\n0.667398 0.132758 0.166491 Mg\n0.465360 0.332602 0.166491 Mg\n0.867242 0.332602 0.166491 Mg\n0.867242 0.534640 0.166491 Mg\n0.667398 0.534640 0.166491 Mg\n0.066608 0.533304 0.167318 Mg\n0.466696 0.533304 0.167318 Mg\n0.466696 0.933393 0.167318 Mg\n0.267191 0.534382 0.167479 Mg\n0.465617 0.732808 0.167479 Mg\n0.267191 0.732808 0.167479 Mg\n0.067983 0.336023 0.167768 Mg\n0.268041 0.336023 0.167768 Mg\n0.663977 0.731960 0.167768 Mg\n0.067983 0.731960 0.167768 Mg\n0.268041 0.932017 0.167768 Mg\n0.663977 0.932018 0.167768 Mg\n0.068042 0.136085 0.170035 Mg\n0.068042 0.931957 0.170035 Mg\n0.863915 0.931958 0.170035 Mg\n0.399862 0.199931 0.332844 Mg\n0.800069 0.199931 0.332844 Mg\n0.800069 0.600137 0.332844 Mg\n0.600084 0.200168 0.332927 Mg\n0.799833 0.399916 0.332927 Mg\n0.600084 0.399917 0.332927 Mg\n0.799449 0.000000 0.333601 Mg\n0.200609 0.000000 0.333601 Mg\n0.200609 0.200551 0.333601 Mg\n0.000000 0.200551 0.333601 Mg\n0.799449 0.799391 0.333601 Mg\n0.000000 0.799391 0.333601 Mg\n0.400478 0.000214 0.333754 Mg\n0.599737 0.000215 0.333754 Mg\n0.999786 0.400263 0.333754 Mg\n0.400478 0.400264 0.333754 Mg\n0.599737 0.599522 0.333754 Mg\n0.999786 0.599522 0.333754 Mg\n0.399962 0.600038 0.333899 Mg\n0.200076 0.600038 0.333899 Mg\n0.399962 0.799924 0.333899 Mg\n0.200320 0.400641 0.334164 Mg\n0.599359 0.799679 0.334164 Mg\n0.200320 0.799680 0.334164 Mg\n0.000000 0.000000 0.334459 Mg\n0.266990 0.133495 0.500000 Mg\n0.866505 0.133495 0.500000 Mg\n0.066792 0.133583 0.500000 Mg\n0.467159 0.134265 0.500000 Mg\n0.667107 0.134265 0.500000 Mg\n0.467159 0.332893 0.500000 Mg\n0.865735 0.332893 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266911 0.333680 0.500000 Mg\n0.066769 0.333680 0.500000 Mg\n0.865735 0.532842 0.500000 Mg\n0.667107 0.532842 0.500000 Mg\n0.066284 0.533142 0.500000 Mg\n0.466858 0.533142 0.500000 Mg\n0.266760 0.533520 0.500000 Mg\n0.866505 0.733010 0.500000 Mg\n0.066769 0.733089 0.500000 Mg\n0.666320 0.733089 0.500000 Mg\n0.466479 0.733239 0.500000 Mg\n0.266760 0.733240 0.500000 Mg\n0.866418 0.933209 0.500000 Mg\n0.066792 0.933209 0.500000 Mg\n0.266911 0.933231 0.500000 Mg\n0.666320 0.933231 0.500000 Mg\n0.466858 0.933716 0.500000 Mg\n0.000000 0.000000 0.665542 Mg\n0.200320 0.400641 0.665836 Mg\n0.599359 0.799679 0.665836 Mg\n0.200320 0.799680 0.665836 Mg\n0.399962 0.600038 0.666101 Mg\n0.200076 0.600038 0.666101 Mg\n0.399962 0.799924 0.666101 Mg\n0.400478 0.000214 0.666246 Mg\n0.599737 0.000215 0.666246 Mg\n0.999786 0.400263 0.666246 Mg\n0.400478 0.400264 0.666246 Mg\n0.599737 0.599522 0.666246 Mg\n0.999786 0.599522 0.666246 Mg\n0.799449 0.000000 0.666399 Mg\n0.200609 0.000000 0.666399 Mg\n0.200609 0.200551 0.666399 Mg\n0.000000 0.200551 0.666399 Mg\n0.799449 0.799391 0.666399 Mg\n0.000000 0.799391 0.666399 Mg\n0.600084 0.200168 0.667073 Mg\n0.799833 0.399916 0.667073 Mg\n0.600084 0.399917 0.667073 Mg\n0.399862 0.199931 0.667156 Mg\n0.800069 0.199931 0.667156 Mg\n0.800069 0.600137 0.667156 Mg\n0.068042 0.136085 0.829964 Mg\n0.068042 0.931957 0.829964 Mg\n0.863915 0.931958 0.829964 Mg\n0.067983 0.336023 0.832233 Mg\n0.268041 0.336023 0.832233 Mg\n0.663977 0.731960 0.832233 Mg\n0.067983 0.731960 0.832233 Mg\n0.268041 0.932017 0.832233 Mg\n0.663977 0.932018 0.832233 Mg\n0.267191 0.534382 0.832522 Mg\n0.465617 0.732808 0.832522 Mg\n0.267191 0.732808 0.832522 Mg\n0.066608 0.533304 0.832682 Mg\n0.466696 0.533304 0.832682 Mg\n0.466696 0.933393 0.832682 Mg\n0.465360 0.132758 0.833509 Mg\n0.667398 0.132758 0.833509 Mg\n0.465360 0.332602 0.833509 Mg\n0.867242 0.332602 0.833509 Mg\n0.867242 0.534640 0.833509 Mg\n0.667398 0.534640 0.833509 Mg\n0.666667 0.333333 0.833697 Mg\n0.262999 0.131499 0.835582 Mg\n0.868501 0.131500 0.835582 Mg\n0.868501 0.737001 0.835582 Mg\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Pm"
],
"chemical_system": "Mg-Pm",
"density": 1.8136773176240923,
"density_atomic": 0.04349812663025478,
"volume": 3448.424371813491,
"volume_molar": 13.844597978183613,
"formula_full": "Pm1 Mg149",
"formula_reduced": "PmMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0001763947444411,
"spacegroup": 187
},
{
"id": "oqmd-31779",
"created_at": "2022-09-04T14:49:02.823742Z",
"updated_at": "2022-09-04T14:49:02.823760Z",
"structure_string": "Mg149 Sn1\n1.0\n13.787291 -7.960100 0.000000\n0.000000 15.920200 0.000000\n0.000000 0.000000 15.636923\nMg Sn\n149 1\ndirect\n0.201113 0.000930 0.000000 Mg\n0.799818 0.000930 0.000000 Mg\n0.399977 0.199989 0.000000 Mg\n0.800011 0.199989 0.000000 Mg\n0.600087 0.200174 0.000000 Mg\n0.999069 0.200182 0.000000 Mg\n0.201113 0.200183 0.000000 Mg\n0.199455 0.398911 0.000000 Mg\n0.799826 0.399913 0.000000 Mg\n0.600087 0.399913 0.000000 Mg\n0.400314 0.400446 0.000000 Mg\n0.000133 0.400446 0.000000 Mg\n0.599554 0.599687 0.000000 Mg\n0.000133 0.599687 0.000000 Mg\n0.199976 0.599988 0.000000 Mg\n0.400012 0.599988 0.000000 Mg\n0.800011 0.600023 0.000000 Mg\n0.999069 0.798887 0.000000 Mg\n0.799818 0.798888 0.000000 Mg\n0.400012 0.800024 0.000000 Mg\n0.601088 0.800544 0.000000 Mg\n0.199455 0.800544 0.000000 Mg\n0.599554 0.999868 0.000000 Mg\n0.400314 0.999868 0.000000 Mg\n0.066310 0.332626 0.166386 Mg\n0.266316 0.332626 0.166386 Mg\n0.066310 0.733684 0.166386 Mg\n0.667374 0.733684 0.166386 Mg\n0.667374 0.933690 0.166386 Mg\n0.266316 0.933690 0.166386 Mg\n0.466758 0.133316 0.166492 Mg\n0.666557 0.133316 0.166492 Mg\n0.466758 0.333443 0.166492 Mg\n0.866684 0.333443 0.166492 Mg\n0.666557 0.533242 0.166492 Mg\n0.866684 0.533242 0.166492 Mg\n0.666667 0.333333 0.166508 Mg\n0.266493 0.532985 0.166516 Mg\n0.467015 0.733507 0.166516 Mg\n0.266493 0.733508 0.166516 Mg\n0.466612 0.533388 0.166622 Mg\n0.066776 0.533388 0.166622 Mg\n0.466612 0.933224 0.166622 Mg\n0.866393 0.133607 0.167277 Mg\n0.267214 0.133607 0.167277 Mg\n0.866393 0.732786 0.167277 Mg\n0.066796 0.133592 0.167559 Mg\n0.866408 0.933204 0.167559 Mg\n0.066796 0.933204 0.167559 Mg\n0.199845 0.399689 0.333011 Mg\n0.600311 0.800155 0.333011 Mg\n0.199845 0.800155 0.333011 Mg\n0.399878 0.000000 0.333180 Mg\n0.600133 0.000000 0.333180 Mg\n0.000000 0.399867 0.333180 Mg\n0.399878 0.399867 0.333180 Mg\n0.000000 0.600122 0.333180 Mg\n0.600133 0.600122 0.333180 Mg\n0.600000 0.199999 0.333204 Mg\n0.600000 0.400000 0.333204 Mg\n0.800001 0.400001 0.333204 Mg\n0.000000 0.000000 0.333234 Mg\n0.400033 0.200016 0.333264 Mg\n0.799983 0.200017 0.333264 Mg\n0.799983 0.599966 0.333264 Mg\n0.199999 0.600000 0.333298 Mg\n0.400000 0.600000 0.333298 Mg\n0.400000 0.800000 0.333298 Mg\n0.199895 0.000000 0.333635 Mg\n0.800137 0.000000 0.333635 Mg\n0.199895 0.199863 0.333635 Mg\n0.000000 0.199863 0.333635 Mg\n0.000000 0.800105 0.333635 Mg\n0.800137 0.800105 0.333635 Mg\n0.066600 0.133200 0.500000 Mg\n0.666577 0.133297 0.500000 Mg\n0.466720 0.133297 0.500000 Mg\n0.866667 0.133333 0.500000 Mg\n0.266666 0.133333 0.500000 Mg\n0.266582 0.333232 0.500000 Mg\n0.066650 0.333233 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466720 0.333423 0.500000 Mg\n0.866703 0.333423 0.500000 Mg\n0.666577 0.533280 0.500000 Mg\n0.866703 0.533280 0.500000 Mg\n0.266667 0.533335 0.500000 Mg\n0.466633 0.533367 0.500000 Mg\n0.066734 0.533367 0.500000 Mg\n0.266667 0.733332 0.500000 Mg\n0.466665 0.733333 0.500000 Mg\n0.866667 0.733334 0.500000 Mg\n0.666768 0.733417 0.500000 Mg\n0.066650 0.733417 0.500000 Mg\n0.466633 0.933266 0.500000 Mg\n0.266582 0.933350 0.500000 Mg\n0.666768 0.933351 0.500000 Mg\n0.066600 0.933400 0.500000 Mg\n0.866800 0.933400 0.500000 Mg\n0.199895 0.000000 0.666366 Mg\n0.800137 0.000000 0.666366 Mg\n0.199895 0.199863 0.666366 Mg\n0.000000 0.199863 0.666366 Mg\n0.000000 0.800105 0.666366 Mg\n0.800137 0.800105 0.666366 Mg\n0.199999 0.600000 0.666703 Mg\n0.400000 0.600000 0.666703 Mg\n0.400000 0.800000 0.666703 Mg\n0.400033 0.200016 0.666737 Mg\n0.799983 0.200017 0.666737 Mg\n0.799983 0.599966 0.666737 Mg\n0.000000 0.000000 0.666766 Mg\n0.600000 0.199999 0.666796 Mg\n0.600000 0.400000 0.666796 Mg\n0.800001 0.400001 0.666796 Mg\n0.399878 0.000000 0.666820 Mg\n0.600133 0.000000 0.666820 Mg\n0.000000 0.399867 0.666820 Mg\n0.399878 0.399867 0.666820 Mg\n0.000000 0.600122 0.666820 Mg\n0.600133 0.600122 0.666820 Mg\n0.199845 0.399689 0.666989 Mg\n0.600311 0.800155 0.666989 Mg\n0.199845 0.800155 0.666989 Mg\n0.066796 0.133592 0.832441 Mg\n0.866408 0.933204 0.832441 Mg\n0.066796 0.933204 0.832441 Mg\n0.866393 0.133607 0.832723 Mg\n0.267214 0.133607 0.832723 Mg\n0.866393 0.732786 0.832723 Mg\n0.466612 0.533388 0.833378 Mg\n0.066776 0.533388 0.833378 Mg\n0.466612 0.933224 0.833378 Mg\n0.266493 0.532985 0.833484 Mg\n0.467015 0.733507 0.833484 Mg\n0.266493 0.733508 0.833484 Mg\n0.666667 0.333333 0.833492 Mg\n0.466758 0.133316 0.833508 Mg\n0.666557 0.133316 0.833508 Mg\n0.466758 0.333443 0.833508 Mg\n0.866684 0.333443 0.833508 Mg\n0.666557 0.533242 0.833508 Mg\n0.866684 0.533242 0.833508 Mg\n0.066310 0.332626 0.833613 Mg\n0.266316 0.332626 0.833613 Mg\n0.066310 0.733684 0.833613 Mg\n0.667374 0.733684 0.833613 Mg\n0.667374 0.933690 0.833613 Mg\n0.266316 0.933690 0.833613 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 1.8095056318192815,
"density_atomic": 0.043703125771235085,
"volume": 3432.2487774713895,
"volume_molar": 13.779656840847082,
"formula_full": "Mg149 Sn1",
"formula_reduced": "Mg149Sn",
"formula_anonymous": "AB149",
"formation_energy": -0.0026249088179002,
"spacegroup": 187
}
]
}