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{
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{
"id": "oqmd-31787",
"created_at": "2022-09-04T14:49:02.662176Z",
"updated_at": "2022-09-04T14:49:02.662207Z",
"structure_string": "Mg149 Tl1\n1.0\n13.784234 -7.958334 0.000000\n0.000000 15.916669 0.000000\n0.000000 0.000000 15.648000\nMg Tl\n149 1\ndirect\n0.799075 0.000606 0.000000 Mg\n0.201531 0.000606 0.000000 Mg\n0.400205 0.200103 0.000000 Mg\n0.799897 0.200103 0.000000 Mg\n0.600082 0.200165 0.000000 Mg\n0.201531 0.200925 0.000000 Mg\n0.999393 0.200925 0.000000 Mg\n0.199739 0.399478 0.000000 Mg\n0.799836 0.399918 0.000000 Mg\n0.600082 0.399918 0.000000 Mg\n0.400354 0.400413 0.000000 Mg\n0.000000 0.400414 0.000000 Mg\n0.599586 0.599646 0.000000 Mg\n0.000000 0.599647 0.000000 Mg\n0.799897 0.599794 0.000000 Mg\n0.200034 0.600017 0.000000 Mg\n0.399983 0.600017 0.000000 Mg\n0.999393 0.798469 0.000000 Mg\n0.799075 0.798469 0.000000 Mg\n0.399983 0.799966 0.000000 Mg\n0.600522 0.800260 0.000000 Mg\n0.199739 0.800261 0.000000 Mg\n0.400354 0.000000 0.000000 Mg\n0.599586 0.000000 0.000000 Mg\n0.066488 0.333110 0.166635 Mg\n0.266622 0.333110 0.166635 Mg\n0.066488 0.733378 0.166635 Mg\n0.666890 0.733379 0.166635 Mg\n0.666890 0.933512 0.166635 Mg\n0.266622 0.933512 0.166635 Mg\n0.466760 0.133345 0.166656 Mg\n0.666585 0.133346 0.166656 Mg\n0.866655 0.333414 0.166656 Mg\n0.466760 0.333415 0.166656 Mg\n0.666585 0.533240 0.166656 Mg\n0.866655 0.533240 0.166656 Mg\n0.666667 0.333333 0.166700 Mg\n0.266621 0.533241 0.166740 Mg\n0.466759 0.733379 0.166740 Mg\n0.266621 0.733379 0.166740 Mg\n0.066786 0.533393 0.166763 Mg\n0.466607 0.533393 0.166763 Mg\n0.466607 0.933214 0.166763 Mg\n0.866455 0.133545 0.167149 Mg\n0.267090 0.133545 0.167149 Mg\n0.866455 0.732910 0.167149 Mg\n0.067030 0.134060 0.167997 Mg\n0.865940 0.932970 0.167997 Mg\n0.067030 0.932970 0.167997 Mg\n0.199915 0.399829 0.333230 Mg\n0.600170 0.800085 0.333230 Mg\n0.199915 0.800086 0.333230 Mg\n0.600023 0.200047 0.333314 Mg\n0.799953 0.399976 0.333314 Mg\n0.600023 0.399977 0.333314 Mg\n0.600058 0.000000 0.333317 Mg\n0.399991 0.000000 0.333317 Mg\n0.399991 0.399942 0.333317 Mg\n0.000000 0.399942 0.333317 Mg\n0.600058 0.600009 0.333317 Mg\n0.000000 0.600009 0.333317 Mg\n0.400125 0.200063 0.333346 Mg\n0.799937 0.200063 0.333346 Mg\n0.799937 0.599875 0.333346 Mg\n0.000000 0.000000 0.333390 Mg\n0.200029 0.600014 0.333462 Mg\n0.399985 0.600015 0.333462 Mg\n0.399985 0.799971 0.333462 Mg\n0.200095 0.000000 0.333738 Mg\n0.799974 0.000000 0.333738 Mg\n0.000000 0.200026 0.333738 Mg\n0.200095 0.200026 0.333738 Mg\n0.799974 0.799905 0.333738 Mg\n0.000000 0.799906 0.333738 Mg\n0.066618 0.133236 0.500000 Mg\n0.466754 0.133360 0.500000 Mg\n0.666607 0.133360 0.500000 Mg\n0.866635 0.133365 0.500000 Mg\n0.266731 0.133365 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266687 0.333348 0.500000 Mg\n0.066661 0.333349 0.500000 Mg\n0.866640 0.333393 0.500000 Mg\n0.466754 0.333394 0.500000 Mg\n0.666607 0.533246 0.500000 Mg\n0.866640 0.533247 0.500000 Mg\n0.066609 0.533304 0.500000 Mg\n0.466696 0.533304 0.500000 Mg\n0.266659 0.533318 0.500000 Mg\n0.866635 0.733270 0.500000 Mg\n0.666651 0.733312 0.500000 Mg\n0.066661 0.733312 0.500000 Mg\n0.466682 0.733341 0.500000 Mg\n0.266659 0.733341 0.500000 Mg\n0.266687 0.933339 0.500000 Mg\n0.666651 0.933339 0.500000 Mg\n0.866763 0.933381 0.500000 Mg\n0.066618 0.933382 0.500000 Mg\n0.466696 0.933391 0.500000 Mg\n0.200095 0.000000 0.666262 Mg\n0.799974 0.000000 0.666262 Mg\n0.000000 0.200026 0.666262 Mg\n0.200095 0.200026 0.666262 Mg\n0.799974 0.799905 0.666262 Mg\n0.000000 0.799906 0.666262 Mg\n0.200029 0.600014 0.666538 Mg\n0.399985 0.600015 0.666538 Mg\n0.399985 0.799971 0.666538 Mg\n0.000000 0.000000 0.666610 Mg\n0.400125 0.200063 0.666654 Mg\n0.799937 0.200063 0.666654 Mg\n0.799937 0.599875 0.666654 Mg\n0.600058 0.000000 0.666683 Mg\n0.399991 0.000000 0.666683 Mg\n0.399991 0.399942 0.666683 Mg\n0.000000 0.399942 0.666683 Mg\n0.600058 0.600009 0.666683 Mg\n0.000000 0.600009 0.666683 Mg\n0.600023 0.200047 0.666686 Mg\n0.799953 0.399976 0.666686 Mg\n0.600023 0.399977 0.666686 Mg\n0.199915 0.399829 0.666770 Mg\n0.600170 0.800085 0.666770 Mg\n0.199915 0.800086 0.666770 Mg\n0.067030 0.134060 0.832003 Mg\n0.865940 0.932970 0.832003 Mg\n0.067030 0.932970 0.832003 Mg\n0.866455 0.133545 0.832851 Mg\n0.267090 0.133545 0.832851 Mg\n0.866455 0.732910 0.832851 Mg\n0.066786 0.533393 0.833237 Mg\n0.466607 0.533393 0.833237 Mg\n0.466607 0.933214 0.833237 Mg\n0.266621 0.533241 0.833260 Mg\n0.466759 0.733379 0.833260 Mg\n0.266621 0.733379 0.833260 Mg\n0.666667 0.333333 0.833300 Mg\n0.466760 0.133345 0.833344 Mg\n0.666585 0.133346 0.833344 Mg\n0.866655 0.333414 0.833344 Mg\n0.466760 0.333415 0.833344 Mg\n0.666585 0.533240 0.833344 Mg\n0.866655 0.533240 0.833344 Mg\n0.066488 0.333110 0.833365 Mg\n0.266622 0.333110 0.833365 Mg\n0.066488 0.733378 0.833365 Mg\n0.666890 0.733379 0.833365 Mg\n0.666890 0.933512 0.833365 Mg\n0.266622 0.933512 0.833365 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Tl"
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"chemical_system": "Mg-Tl",
"density": 1.8504651630497344,
"density_atomic": 0.04369156485882899,
"volume": 3433.1569602659515,
"volume_molar": 13.783302977263524,
"formula_full": "Mg149 Tl1",
"formula_reduced": "Mg149Tl",
"formula_anonymous": "AB149",
"formation_energy": -0.0005369286722255,
"spacegroup": 187
},
{
"id": "oqmd-31719",
"created_at": "2022-09-04T14:49:02.925860Z",
"updated_at": "2022-09-04T14:49:02.925892Z",
"structure_string": "Mg149 Be1\n1.0\n13.760664 -7.944727 0.000000\n0.000000 15.889453 0.000000\n0.000000 0.000000 15.616828\nBe Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Be\n0.194642 0.001187 0.000000 Mg\n0.806545 0.001187 0.000000 Mg\n0.998812 0.193455 0.000000 Mg\n0.194642 0.193455 0.000000 Mg\n0.800754 0.199246 0.000000 Mg\n0.398492 0.199246 0.000000 Mg\n0.599859 0.199718 0.000000 Mg\n0.198870 0.397739 0.000000 Mg\n0.398974 0.398999 0.000000 Mg\n0.000000 0.398999 0.000000 Mg\n0.800281 0.400141 0.000000 Mg\n0.599859 0.400141 0.000000 Mg\n0.400136 0.599864 0.000000 Mg\n0.199728 0.599864 0.000000 Mg\n0.000000 0.601026 0.000000 Mg\n0.601001 0.601026 0.000000 Mg\n0.800754 0.601509 0.000000 Mg\n0.400136 0.800272 0.000000 Mg\n0.198870 0.801131 0.000000 Mg\n0.602261 0.801131 0.000000 Mg\n0.998812 0.805357 0.000000 Mg\n0.806545 0.805357 0.000000 Mg\n0.601001 0.000000 0.000000 Mg\n0.398974 0.000000 0.000000 Mg\n0.064668 0.129335 0.161589 Mg\n0.064668 0.935332 0.161589 Mg\n0.870664 0.935332 0.161589 Mg\n0.265452 0.331557 0.165883 Mg\n0.066105 0.331557 0.165883 Mg\n0.066105 0.734548 0.165883 Mg\n0.668443 0.734548 0.165883 Mg\n0.265452 0.933895 0.165883 Mg\n0.668443 0.933895 0.165883 Mg\n0.266336 0.532671 0.166306 Mg\n0.266336 0.733664 0.166306 Mg\n0.467328 0.733664 0.166306 Mg\n0.466692 0.533308 0.166310 Mg\n0.066617 0.533309 0.166310 Mg\n0.466692 0.933383 0.166310 Mg\n0.466741 0.133350 0.166522 Mg\n0.666609 0.133350 0.166522 Mg\n0.466741 0.333391 0.166522 Mg\n0.866650 0.333391 0.166522 Mg\n0.666609 0.533258 0.166522 Mg\n0.866650 0.533259 0.166522 Mg\n0.666667 0.333333 0.166543 Mg\n0.267397 0.133698 0.167118 Mg\n0.866301 0.133699 0.167118 Mg\n0.866301 0.732603 0.167118 Mg\n0.000000 0.000000 0.331708 Mg\n0.000281 0.199438 0.332518 Mg\n0.199157 0.199438 0.332518 Mg\n0.800562 0.800843 0.332518 Mg\n0.000281 0.800843 0.332518 Mg\n0.199157 0.999718 0.332518 Mg\n0.800562 0.999719 0.332518 Mg\n0.399601 0.399684 0.332966 Mg\n0.000000 0.399685 0.332966 Mg\n0.600316 0.600398 0.332966 Mg\n0.000000 0.600399 0.332966 Mg\n0.600316 0.000000 0.332966 Mg\n0.399601 0.000000 0.332966 Mg\n0.199852 0.399703 0.332989 Mg\n0.199852 0.800149 0.332989 Mg\n0.600297 0.800149 0.332989 Mg\n0.400032 0.599968 0.333182 Mg\n0.199936 0.599968 0.333182 Mg\n0.400032 0.800065 0.333182 Mg\n0.599953 0.199906 0.333188 Mg\n0.800094 0.400047 0.333188 Mg\n0.599953 0.400047 0.333188 Mg\n0.800127 0.199873 0.333399 Mg\n0.399746 0.199873 0.333399 Mg\n0.800127 0.600254 0.333399 Mg\n0.066489 0.132977 0.500000 Mg\n0.866811 0.133188 0.500000 Mg\n0.266377 0.133189 0.500000 Mg\n0.466641 0.133291 0.500000 Mg\n0.666651 0.133292 0.500000 Mg\n0.266449 0.332847 0.500000 Mg\n0.066398 0.332847 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866708 0.333349 0.500000 Mg\n0.466641 0.333350 0.500000 Mg\n0.266552 0.533103 0.500000 Mg\n0.466757 0.533243 0.500000 Mg\n0.066487 0.533244 0.500000 Mg\n0.866708 0.533359 0.500000 Mg\n0.666651 0.533359 0.500000 Mg\n0.266552 0.733448 0.500000 Mg\n0.466897 0.733449 0.500000 Mg\n0.066398 0.733550 0.500000 Mg\n0.667152 0.733550 0.500000 Mg\n0.866811 0.733623 0.500000 Mg\n0.066489 0.933511 0.500000 Mg\n0.867023 0.933512 0.500000 Mg\n0.466757 0.933513 0.500000 Mg\n0.667152 0.933602 0.500000 Mg\n0.266449 0.933602 0.500000 Mg\n0.800127 0.199873 0.666601 Mg\n0.399746 0.199873 0.666601 Mg\n0.800127 0.600254 0.666601 Mg\n0.599953 0.199906 0.666812 Mg\n0.800094 0.400047 0.666812 Mg\n0.599953 0.400047 0.666812 Mg\n0.400032 0.599968 0.666819 Mg\n0.199936 0.599968 0.666819 Mg\n0.400032 0.800065 0.666819 Mg\n0.199852 0.399703 0.667011 Mg\n0.199852 0.800149 0.667011 Mg\n0.600297 0.800149 0.667011 Mg\n0.399601 0.399684 0.667033 Mg\n0.000000 0.399685 0.667033 Mg\n0.600316 0.600398 0.667033 Mg\n0.000000 0.600399 0.667033 Mg\n0.600316 0.000000 0.667033 Mg\n0.399601 0.000000 0.667033 Mg\n0.000281 0.199438 0.667482 Mg\n0.199157 0.199438 0.667482 Mg\n0.800562 0.800843 0.667482 Mg\n0.000281 0.800843 0.667482 Mg\n0.199157 0.999718 0.667482 Mg\n0.800562 0.999719 0.667482 Mg\n0.000000 0.000000 0.668292 Mg\n0.267397 0.133698 0.832882 Mg\n0.866301 0.133699 0.832882 Mg\n0.866301 0.732603 0.832882 Mg\n0.666667 0.333333 0.833457 Mg\n0.466741 0.133350 0.833478 Mg\n0.666609 0.133350 0.833478 Mg\n0.466741 0.333391 0.833478 Mg\n0.866650 0.333391 0.833478 Mg\n0.666609 0.533258 0.833478 Mg\n0.866650 0.533259 0.833478 Mg\n0.466692 0.533308 0.833689 Mg\n0.066617 0.533309 0.833689 Mg\n0.466692 0.933383 0.833689 Mg\n0.266336 0.532671 0.833694 Mg\n0.266336 0.733664 0.833694 Mg\n0.467328 0.733664 0.833694 Mg\n0.265452 0.331557 0.834118 Mg\n0.066105 0.331557 0.834118 Mg\n0.066105 0.734548 0.834118 Mg\n0.668443 0.734548 0.834118 Mg\n0.265452 0.933895 0.834118 Mg\n0.668443 0.933895 0.834118 Mg\n0.064668 0.129335 0.838411 Mg\n0.064668 0.935332 0.838411 Mg\n0.870664 0.935332 0.838411 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Be",
"Mg"
],
"chemical_system": "Be-Mg",
"density": 1.765506220244588,
"density_atomic": 0.0439288763438281,
"volume": 3414.6104449829536,
"volume_molar": 13.708843160169055,
"formula_full": "Mg149 Be1",
"formula_reduced": "Mg149Be",
"formula_anonymous": "AB149",
"formation_energy": 0.0090033091611078,
"spacegroup": 187
},
{
"id": "oqmd-31741",
"created_at": "2022-09-04T14:49:03.096001Z",
"updated_at": "2022-09-04T14:49:03.096036Z",
"structure_string": "Mg149 Hg1\n1.0\n13.776160 -7.953673 0.000000\n0.000000 15.907347 0.000000\n0.000000 0.000000 15.631283\nHg Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Hg\n0.802017 0.000968 0.000000 Mg\n0.198951 0.000968 0.000000 Mg\n0.198951 0.197983 0.000000 Mg\n0.999032 0.197983 0.000000 Mg\n0.399549 0.199774 0.000000 Mg\n0.800226 0.199775 0.000000 Mg\n0.600010 0.200020 0.000000 Mg\n0.199344 0.398686 0.000000 Mg\n0.399778 0.399806 0.000000 Mg\n0.000000 0.399807 0.000000 Mg\n0.799980 0.399990 0.000000 Mg\n0.600010 0.399990 0.000000 Mg\n0.199942 0.599971 0.000000 Mg\n0.400029 0.599971 0.000000 Mg\n0.600193 0.600222 0.000000 Mg\n0.000000 0.600223 0.000000 Mg\n0.800226 0.600451 0.000000 Mg\n0.400029 0.800058 0.000000 Mg\n0.601313 0.800656 0.000000 Mg\n0.199344 0.800657 0.000000 Mg\n0.802017 0.801050 0.000000 Mg\n0.999032 0.801050 0.000000 Mg\n0.600193 0.000000 0.000000 Mg\n0.399778 0.000000 0.000000 Mg\n0.066135 0.132270 0.165510 Mg\n0.867730 0.933865 0.165510 Mg\n0.066135 0.933865 0.165510 Mg\n0.066334 0.332483 0.166266 Mg\n0.266149 0.332483 0.166266 Mg\n0.667517 0.733851 0.166266 Mg\n0.066334 0.733851 0.166266 Mg\n0.667517 0.933666 0.166266 Mg\n0.266149 0.933666 0.166266 Mg\n0.266511 0.533022 0.166531 Mg\n0.466978 0.733489 0.166531 Mg\n0.266511 0.733489 0.166531 Mg\n0.066736 0.533368 0.166563 Mg\n0.466632 0.533368 0.166563 Mg\n0.466632 0.933264 0.166563 Mg\n0.466813 0.133368 0.166602 Mg\n0.666555 0.133368 0.166602 Mg\n0.866632 0.333445 0.166602 Mg\n0.466813 0.333445 0.166602 Mg\n0.866632 0.533187 0.166602 Mg\n0.666555 0.533187 0.166602 Mg\n0.666667 0.333333 0.166632 Mg\n0.866290 0.133710 0.167208 Mg\n0.267420 0.133710 0.167208 Mg\n0.866290 0.732580 0.167208 Mg\n0.000000 0.000000 0.332566 Mg\n0.199908 0.399816 0.333102 Mg\n0.600184 0.800092 0.333102 Mg\n0.199908 0.800092 0.333102 Mg\n0.000000 0.399871 0.333130 Mg\n0.399863 0.399872 0.333130 Mg\n0.600129 0.600138 0.333130 Mg\n0.000000 0.600138 0.333130 Mg\n0.399863 0.000000 0.333130 Mg\n0.600129 0.000000 0.333130 Mg\n0.000106 0.199848 0.333168 Mg\n0.199742 0.199848 0.333168 Mg\n0.800152 0.800258 0.333168 Mg\n0.000106 0.800258 0.333168 Mg\n0.199742 0.999894 0.333168 Mg\n0.800152 0.999894 0.333168 Mg\n0.600002 0.200003 0.333257 Mg\n0.799997 0.399998 0.333257 Mg\n0.600002 0.399999 0.333257 Mg\n0.399992 0.600008 0.333312 Mg\n0.200017 0.600008 0.333312 Mg\n0.399992 0.799983 0.333312 Mg\n0.799978 0.200021 0.333368 Mg\n0.400043 0.200021 0.333368 Mg\n0.799978 0.599957 0.333368 Mg\n0.066570 0.133140 0.500000 Mg\n0.266613 0.133307 0.500000 Mg\n0.866694 0.133307 0.500000 Mg\n0.466696 0.133323 0.500000 Mg\n0.666627 0.133323 0.500000 Mg\n0.266655 0.333240 0.500000 Mg\n0.066585 0.333240 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466696 0.333373 0.500000 Mg\n0.866677 0.333373 0.500000 Mg\n0.266625 0.533250 0.500000 Mg\n0.066561 0.533280 0.500000 Mg\n0.466719 0.533280 0.500000 Mg\n0.666627 0.533303 0.500000 Mg\n0.866677 0.533304 0.500000 Mg\n0.666760 0.733345 0.500000 Mg\n0.066585 0.733345 0.500000 Mg\n0.466750 0.733375 0.500000 Mg\n0.266625 0.733375 0.500000 Mg\n0.866694 0.733387 0.500000 Mg\n0.666760 0.933415 0.500000 Mg\n0.266655 0.933415 0.500000 Mg\n0.066570 0.933429 0.500000 Mg\n0.866860 0.933430 0.500000 Mg\n0.466719 0.933439 0.500000 Mg\n0.799978 0.200021 0.666632 Mg\n0.400043 0.200021 0.666632 Mg\n0.799978 0.599957 0.666632 Mg\n0.399992 0.600008 0.666688 Mg\n0.200017 0.600008 0.666688 Mg\n0.399992 0.799983 0.666688 Mg\n0.600002 0.200003 0.666742 Mg\n0.799997 0.399998 0.666742 Mg\n0.600002 0.399999 0.666742 Mg\n0.000106 0.199848 0.666831 Mg\n0.199742 0.199848 0.666831 Mg\n0.800152 0.800258 0.666831 Mg\n0.000106 0.800258 0.666831 Mg\n0.199742 0.999894 0.666831 Mg\n0.800152 0.999894 0.666831 Mg\n0.000000 0.399871 0.666870 Mg\n0.399863 0.399872 0.666870 Mg\n0.600129 0.600138 0.666870 Mg\n0.000000 0.600138 0.666870 Mg\n0.399863 0.000000 0.666870 Mg\n0.600129 0.000000 0.666870 Mg\n0.199908 0.399816 0.666898 Mg\n0.600184 0.800092 0.666898 Mg\n0.199908 0.800092 0.666898 Mg\n0.000000 0.000000 0.667434 Mg\n0.866290 0.133710 0.832792 Mg\n0.267420 0.133710 0.832792 Mg\n0.866290 0.732580 0.832792 Mg\n0.666667 0.333333 0.833368 Mg\n0.466813 0.133368 0.833397 Mg\n0.666555 0.133368 0.833397 Mg\n0.866632 0.333445 0.833397 Mg\n0.466813 0.333445 0.833397 Mg\n0.866632 0.533187 0.833397 Mg\n0.666555 0.533187 0.833397 Mg\n0.066736 0.533368 0.833437 Mg\n0.466632 0.533368 0.833437 Mg\n0.466632 0.933264 0.833437 Mg\n0.266511 0.533022 0.833468 Mg\n0.466978 0.733489 0.833468 Mg\n0.266511 0.733489 0.833468 Mg\n0.066334 0.332483 0.833735 Mg\n0.266149 0.332483 0.833735 Mg\n0.667517 0.733851 0.833735 Mg\n0.066334 0.733851 0.833735 Mg\n0.667517 0.933666 0.833735 Mg\n0.266149 0.933666 0.833735 Mg\n0.066135 0.132270 0.834490 Mg\n0.867730 0.933865 0.834490 Mg\n0.066135 0.933865 0.834490 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Hg",
"Mg"
],
"chemical_system": "Hg-Mg",
"density": 1.8527772026368237,
"density_atomic": 0.04378957197561188,
"volume": 3425.473080292743,
"volume_molar": 13.75245403940912,
"formula_full": "Mg149 Hg1",
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{
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"updated_at": "2022-09-04T14:49:03.184338Z",
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"nelements": 2,
"elements": [
"Mg",
"Pr"
],
"chemical_system": "Mg-Pr",
"density": 1.8095454386034078,
"density_atomic": 0.043446235748202174,
"volume": 3452.543066546498,
"volume_molar": 13.861133551136705,
"formula_full": "Pr1 Mg149",
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{
"id": "oqmd-31773",
"created_at": "2022-09-04T14:49:01.820302Z",
"updated_at": "2022-09-04T14:49:01.820327Z",
"structure_string": "Mg149 S1\n1.0\n13.778419 -7.954977 0.000000\n0.000000 15.909955 0.000000\n0.000000 0.000000 15.602064\nMg S\n149 1\ndirect\n0.803255 0.001631 0.000000 Mg\n0.198376 0.001631 0.000000 Mg\n0.198376 0.196745 0.000000 Mg\n0.998369 0.196746 0.000000 Mg\n0.800428 0.199572 0.000000 Mg\n0.399144 0.199572 0.000000 Mg\n0.600148 0.200296 0.000000 Mg\n0.198803 0.397606 0.000000 Mg\n0.600148 0.399852 0.000000 Mg\n0.799705 0.399852 0.000000 Mg\n0.000355 0.400437 0.000000 Mg\n0.400082 0.400437 0.000000 Mg\n0.599563 0.599918 0.000000 Mg\n0.000355 0.599918 0.000000 Mg\n0.399878 0.600123 0.000000 Mg\n0.200246 0.600123 0.000000 Mg\n0.800428 0.600856 0.000000 Mg\n0.399878 0.799754 0.000000 Mg\n0.602394 0.801197 0.000000 Mg\n0.198803 0.801197 0.000000 Mg\n0.998369 0.801624 0.000000 Mg\n0.803255 0.801624 0.000000 Mg\n0.599563 0.999645 0.000000 Mg\n0.400082 0.999645 0.000000 Mg\n0.065655 0.131309 0.164775 Mg\n0.065655 0.934345 0.164775 Mg\n0.868691 0.934346 0.164775 Mg\n0.265688 0.331660 0.165870 Mg\n0.065972 0.331660 0.165870 Mg\n0.668340 0.734312 0.165870 Mg\n0.065972 0.734312 0.165870 Mg\n0.668340 0.934028 0.165870 Mg\n0.265688 0.934028 0.165870 Mg\n0.266294 0.532587 0.165908 Mg\n0.266294 0.733706 0.165908 Mg\n0.467412 0.733706 0.165908 Mg\n0.666666 0.333333 0.166095 Mg\n0.466430 0.133200 0.166218 Mg\n0.666770 0.133201 0.166218 Mg\n0.866799 0.333229 0.166218 Mg\n0.466430 0.333230 0.166218 Mg\n0.666770 0.533569 0.166218 Mg\n0.866799 0.533569 0.166218 Mg\n0.066636 0.533318 0.166470 Mg\n0.466682 0.533319 0.166470 Mg\n0.466682 0.933364 0.166470 Mg\n0.266365 0.133183 0.167085 Mg\n0.866817 0.133183 0.167085 Mg\n0.866817 0.733634 0.167085 Mg\n0.000000 0.000000 0.330748 Mg\n0.199768 0.399537 0.332632 Mg\n0.199768 0.800232 0.332632 Mg\n0.600464 0.800232 0.332632 Mg\n0.400012 0.599988 0.332946 Mg\n0.199976 0.599988 0.332946 Mg\n0.400012 0.800023 0.332946 Mg\n0.599964 0.199928 0.332965 Mg\n0.800071 0.400036 0.332965 Mg\n0.599964 0.400036 0.332965 Mg\n0.800195 0.199805 0.332973 Mg\n0.399610 0.199805 0.332973 Mg\n0.800195 0.600390 0.332973 Mg\n0.000128 0.399952 0.333026 Mg\n0.399823 0.399952 0.333026 Mg\n0.000128 0.600177 0.333026 Mg\n0.600049 0.600177 0.333026 Mg\n0.399823 0.999871 0.333026 Mg\n0.600049 0.999872 0.333026 Mg\n0.199625 0.199820 0.333389 Mg\n0.000195 0.199820 0.333389 Mg\n0.800180 0.800375 0.333389 Mg\n0.000195 0.800375 0.333389 Mg\n0.199625 0.999805 0.333389 Mg\n0.800180 0.999805 0.333389 Mg\n0.066456 0.132912 0.500000 Mg\n0.266620 0.133310 0.500000 Mg\n0.866690 0.133310 0.500000 Mg\n0.466657 0.133356 0.500000 Mg\n0.666698 0.133356 0.500000 Mg\n0.066655 0.333111 0.500000 Mg\n0.266456 0.333111 0.500000 Mg\n0.466657 0.333301 0.500000 Mg\n0.866644 0.333301 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266626 0.533253 0.500000 Mg\n0.666698 0.533342 0.500000 Mg\n0.866644 0.533342 0.500000 Mg\n0.466578 0.533421 0.500000 Mg\n0.066843 0.533422 0.500000 Mg\n0.466747 0.733374 0.500000 Mg\n0.266626 0.733374 0.500000 Mg\n0.866690 0.733380 0.500000 Mg\n0.066655 0.733544 0.500000 Mg\n0.666889 0.733544 0.500000 Mg\n0.466578 0.933157 0.500000 Mg\n0.666889 0.933345 0.500000 Mg\n0.266456 0.933345 0.500000 Mg\n0.066456 0.933544 0.500000 Mg\n0.867088 0.933544 0.500000 Mg\n0.199625 0.199820 0.666611 Mg\n0.000195 0.199820 0.666611 Mg\n0.800180 0.800375 0.666611 Mg\n0.000195 0.800375 0.666611 Mg\n0.199625 0.999805 0.666611 Mg\n0.800180 0.999805 0.666611 Mg\n0.000128 0.399952 0.666973 Mg\n0.399823 0.399952 0.666973 Mg\n0.000128 0.600177 0.666973 Mg\n0.600049 0.600177 0.666973 Mg\n0.399823 0.999871 0.666973 Mg\n0.600049 0.999872 0.666973 Mg\n0.800195 0.199805 0.667026 Mg\n0.399610 0.199805 0.667026 Mg\n0.800195 0.600390 0.667026 Mg\n0.599964 0.199928 0.667035 Mg\n0.800071 0.400036 0.667035 Mg\n0.599964 0.400036 0.667035 Mg\n0.400012 0.599988 0.667054 Mg\n0.199976 0.599988 0.667054 Mg\n0.400012 0.800023 0.667054 Mg\n0.199768 0.399537 0.667369 Mg\n0.199768 0.800232 0.667369 Mg\n0.600464 0.800232 0.667369 Mg\n0.000000 0.000000 0.669252 Mg\n0.266365 0.133183 0.832915 Mg\n0.866817 0.133183 0.832915 Mg\n0.866817 0.733634 0.832915 Mg\n0.066636 0.533318 0.833530 Mg\n0.466682 0.533319 0.833530 Mg\n0.466682 0.933364 0.833530 Mg\n0.466430 0.133200 0.833782 Mg\n0.666770 0.133201 0.833782 Mg\n0.866799 0.333229 0.833782 Mg\n0.466430 0.333230 0.833782 Mg\n0.666770 0.533569 0.833782 Mg\n0.866799 0.533569 0.833782 Mg\n0.666666 0.333333 0.833904 Mg\n0.266294 0.532587 0.834093 Mg\n0.266294 0.733706 0.834093 Mg\n0.467412 0.733706 0.834093 Mg\n0.265688 0.331660 0.834129 Mg\n0.065972 0.331660 0.834129 Mg\n0.668340 0.734312 0.834129 Mg\n0.065972 0.734312 0.834129 Mg\n0.668340 0.934028 0.834129 Mg\n0.265688 0.934028 0.834129 Mg\n0.065655 0.131309 0.835225 Mg\n0.065655 0.934345 0.835225 Mg\n0.868691 0.934346 0.835225 Mg\n0.000000 0.000000 0.000000 S\n",
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"nelements": 2,
"elements": [
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"S"
],
"chemical_system": "Mg-S",
"density": 1.7738177811859643,
"density_atomic": 0.04385719635877946,
"volume": 3420.191267424065,
"volume_molar": 13.731248825700348,
"formula_full": "Mg149 S1",
"formula_reduced": "Mg149S",
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{
"id": "oqmd-31792",
"created_at": "2022-09-04T14:49:02.124352Z",
"updated_at": "2022-09-04T14:49:02.124390Z",
"structure_string": "Y1 Mg149\n1.0\n13.816359 -7.976883 0.000000\n0.000000 15.953765 0.000000\n0.000000 0.000000 15.621689\nMg Y\n149 1\ndirect\n0.599939 0.199878 0.000000 Mg\n0.799524 0.200476 0.000000 Mg\n0.400952 0.200476 0.000000 Mg\n0.002928 0.204313 0.000000 Mg\n0.201385 0.204313 0.000000 Mg\n0.000117 0.399922 0.000000 Mg\n0.399806 0.399922 0.000000 Mg\n0.800122 0.400061 0.000000 Mg\n0.599939 0.400061 0.000000 Mg\n0.201494 0.402988 0.000000 Mg\n0.799524 0.599047 0.000000 Mg\n0.000117 0.600194 0.000000 Mg\n0.600078 0.600194 0.000000 Mg\n0.200430 0.600215 0.000000 Mg\n0.399785 0.600215 0.000000 Mg\n0.201494 0.798506 0.000000 Mg\n0.597012 0.798506 0.000000 Mg\n0.795687 0.798615 0.000000 Mg\n0.002928 0.798615 0.000000 Mg\n0.399785 0.799570 0.000000 Mg\n0.201385 0.997072 0.000000 Mg\n0.795687 0.997073 0.000000 Mg\n0.600078 0.999884 0.000000 Mg\n0.399806 0.999884 0.000000 Mg\n0.868185 0.131815 0.164733 Mg\n0.263630 0.131815 0.164733 Mg\n0.868185 0.736370 0.164733 Mg\n0.666667 0.333333 0.166336 Mg\n0.667311 0.132830 0.166520 Mg\n0.465519 0.132831 0.166520 Mg\n0.465519 0.332688 0.166520 Mg\n0.867170 0.332689 0.166520 Mg\n0.867170 0.534481 0.166520 Mg\n0.667311 0.534481 0.166520 Mg\n0.466702 0.533298 0.167239 Mg\n0.066596 0.533298 0.167239 Mg\n0.466702 0.933404 0.167239 Mg\n0.267148 0.534296 0.167461 Mg\n0.267148 0.732852 0.167461 Mg\n0.465704 0.732852 0.167461 Mg\n0.067864 0.335659 0.167650 Mg\n0.267795 0.335659 0.167650 Mg\n0.067864 0.732205 0.167650 Mg\n0.664341 0.732205 0.167650 Mg\n0.664341 0.932136 0.167650 Mg\n0.267795 0.932136 0.167650 Mg\n0.067597 0.135193 0.169045 Mg\n0.864807 0.932404 0.169045 Mg\n0.067597 0.932404 0.169045 Mg\n0.399910 0.199955 0.332910 Mg\n0.800045 0.199955 0.332910 Mg\n0.800045 0.600090 0.332910 Mg\n0.600080 0.200159 0.332953 Mg\n0.799840 0.399920 0.332953 Mg\n0.600080 0.399920 0.332953 Mg\n0.200441 0.000000 0.333408 Mg\n0.799564 0.000000 0.333408 Mg\n0.000000 0.200436 0.333408 Mg\n0.200441 0.200437 0.333408 Mg\n0.799564 0.799558 0.333408 Mg\n0.000000 0.799559 0.333408 Mg\n0.400446 0.000220 0.333740 Mg\n0.599775 0.000221 0.333740 Mg\n0.999779 0.400225 0.333740 Mg\n0.400446 0.400225 0.333740 Mg\n0.599775 0.599554 0.333740 Mg\n0.999779 0.599555 0.333740 Mg\n0.399977 0.600023 0.333878 Mg\n0.200046 0.600023 0.333878 Mg\n0.399977 0.799954 0.333878 Mg\n0.200321 0.400640 0.334148 Mg\n0.599360 0.799680 0.334148 Mg\n0.200321 0.799680 0.334148 Mg\n0.000000 0.000000 0.334497 Mg\n0.866498 0.133502 0.500000 Mg\n0.267004 0.133502 0.500000 Mg\n0.066806 0.133612 0.500000 Mg\n0.467119 0.134166 0.500000 Mg\n0.667046 0.134166 0.500000 Mg\n0.467119 0.332954 0.500000 Mg\n0.865834 0.332954 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066747 0.333657 0.500000 Mg\n0.266910 0.333657 0.500000 Mg\n0.667046 0.532880 0.500000 Mg\n0.865834 0.532881 0.500000 Mg\n0.466836 0.533164 0.500000 Mg\n0.066328 0.533164 0.500000 Mg\n0.266765 0.533529 0.500000 Mg\n0.866498 0.732997 0.500000 Mg\n0.666343 0.733090 0.500000 Mg\n0.066747 0.733090 0.500000 Mg\n0.466470 0.733235 0.500000 Mg\n0.266765 0.733235 0.500000 Mg\n0.066806 0.933194 0.500000 Mg\n0.866388 0.933194 0.500000 Mg\n0.666343 0.933253 0.500000 Mg\n0.266910 0.933253 0.500000 Mg\n0.466836 0.933672 0.500000 Mg\n0.000000 0.000000 0.665503 Mg\n0.200321 0.400640 0.665852 Mg\n0.599360 0.799680 0.665852 Mg\n0.200321 0.799680 0.665852 Mg\n0.399977 0.600023 0.666121 Mg\n0.200046 0.600023 0.666121 Mg\n0.399977 0.799954 0.666121 Mg\n0.400446 0.000220 0.666260 Mg\n0.599775 0.000221 0.666260 Mg\n0.999779 0.400225 0.666260 Mg\n0.400446 0.400225 0.666260 Mg\n0.599775 0.599554 0.666260 Mg\n0.999779 0.599555 0.666260 Mg\n0.200441 0.000000 0.666592 Mg\n0.799564 0.000000 0.666592 Mg\n0.000000 0.200436 0.666592 Mg\n0.200441 0.200437 0.666592 Mg\n0.799564 0.799558 0.666592 Mg\n0.000000 0.799559 0.666592 Mg\n0.600080 0.200159 0.667046 Mg\n0.799840 0.399920 0.667046 Mg\n0.600080 0.399920 0.667046 Mg\n0.399910 0.199955 0.667090 Mg\n0.800045 0.199955 0.667090 Mg\n0.800045 0.600090 0.667090 Mg\n0.067597 0.135193 0.830955 Mg\n0.864807 0.932404 0.830955 Mg\n0.067597 0.932404 0.830955 Mg\n0.067864 0.335659 0.832350 Mg\n0.267795 0.335659 0.832350 Mg\n0.067864 0.732205 0.832350 Mg\n0.664341 0.732205 0.832350 Mg\n0.664341 0.932136 0.832350 Mg\n0.267795 0.932136 0.832350 Mg\n0.267148 0.534296 0.832539 Mg\n0.267148 0.732852 0.832539 Mg\n0.465704 0.732852 0.832539 Mg\n0.466702 0.533298 0.832761 Mg\n0.066596 0.533298 0.832761 Mg\n0.466702 0.933404 0.832761 Mg\n0.667311 0.132830 0.833480 Mg\n0.465519 0.132831 0.833480 Mg\n0.465519 0.332688 0.833480 Mg\n0.867170 0.332689 0.833480 Mg\n0.867170 0.534481 0.833480 Mg\n0.667311 0.534481 0.833480 Mg\n0.666667 0.333333 0.833664 Mg\n0.868185 0.131815 0.835266 Mg\n0.263630 0.131815 0.835266 Mg\n0.868185 0.736370 0.835266 Mg\n0.000000 0.000000 0.000000 Y\n",
"nsites": 150,
"nelements": 2,
"elements": [
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"Y"
],
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"density": 1.7892840412023687,
"density_atomic": 0.043561865690407785,
"volume": 3443.3786896558386,
"volume_molar": 13.824340772727878,
"formula_full": "Y1 Mg149",
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{
"id": "oqmd-31729",
"created_at": "2022-09-04T14:49:02.080998Z",
"updated_at": "2022-09-04T14:49:02.081029Z",
"structure_string": "Cs1 Mg149\n1.0\n13.844869 -7.993343 0.000000\n0.000000 15.986685 0.000000\n0.000000 0.000000 15.686338\nCs Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cs\n0.600500 0.201001 0.000000 Mg\n0.402572 0.201286 0.000000 Mg\n0.798714 0.201287 0.000000 Mg\n0.002068 0.213969 0.000000 Mg\n0.211901 0.213969 0.000000 Mg\n0.600500 0.399499 0.000000 Mg\n0.798999 0.399499 0.000000 Mg\n0.403038 0.403707 0.000000 Mg\n0.000669 0.403707 0.000000 Mg\n0.202089 0.404177 0.000000 Mg\n0.596293 0.596962 0.000000 Mg\n0.000669 0.596962 0.000000 Mg\n0.798714 0.597427 0.000000 Mg\n0.201366 0.600683 0.000000 Mg\n0.399317 0.600683 0.000000 Mg\n0.002068 0.788099 0.000000 Mg\n0.786031 0.788099 0.000000 Mg\n0.595823 0.797911 0.000000 Mg\n0.202089 0.797912 0.000000 Mg\n0.399317 0.798634 0.000000 Mg\n0.211901 0.997932 0.000000 Mg\n0.786031 0.997932 0.000000 Mg\n0.403038 0.999331 0.000000 Mg\n0.596293 0.999331 0.000000 Mg\n0.262818 0.131409 0.165217 Mg\n0.868591 0.131409 0.165217 Mg\n0.868591 0.737182 0.165217 Mg\n0.666666 0.333333 0.166189 Mg\n0.465650 0.132846 0.166381 Mg\n0.667195 0.132846 0.166381 Mg\n0.465650 0.332805 0.166381 Mg\n0.867154 0.332805 0.166381 Mg\n0.867154 0.534349 0.166381 Mg\n0.667195 0.534349 0.166381 Mg\n0.267186 0.534371 0.167323 Mg\n0.465628 0.732814 0.167323 Mg\n0.267186 0.732814 0.167323 Mg\n0.466532 0.533467 0.167949 Mg\n0.066935 0.533467 0.167949 Mg\n0.466532 0.933065 0.167949 Mg\n0.268949 0.336644 0.168103 Mg\n0.067695 0.336645 0.168103 Mg\n0.663356 0.731050 0.168103 Mg\n0.067695 0.731050 0.168103 Mg\n0.268949 0.932305 0.168103 Mg\n0.663356 0.932305 0.168103 Mg\n0.071074 0.142148 0.177336 Mg\n0.857852 0.928926 0.177336 Mg\n0.071074 0.928926 0.177336 Mg\n0.400041 0.200020 0.332548 Mg\n0.799980 0.200021 0.332548 Mg\n0.799980 0.599960 0.332548 Mg\n0.600092 0.200183 0.332911 Mg\n0.799816 0.399908 0.332911 Mg\n0.600092 0.399908 0.332911 Mg\n0.199996 0.599998 0.333657 Mg\n0.400002 0.599998 0.333657 Mg\n0.400002 0.800004 0.333657 Mg\n0.199997 0.399994 0.333725 Mg\n0.600006 0.800003 0.333725 Mg\n0.199997 0.800003 0.333725 Mg\n0.400808 0.000250 0.333954 Mg\n0.599442 0.000250 0.333954 Mg\n0.400808 0.400558 0.333954 Mg\n0.999749 0.400558 0.333954 Mg\n0.999749 0.599191 0.333954 Mg\n0.599442 0.599191 0.333954 Mg\n0.000000 0.000000 0.334043 Mg\n0.202064 0.000731 0.336077 Mg\n0.798667 0.000731 0.336077 Mg\n0.202064 0.201333 0.336077 Mg\n0.999269 0.201333 0.336077 Mg\n0.798667 0.797936 0.336077 Mg\n0.999269 0.797936 0.336077 Mg\n0.066690 0.133379 0.500000 Mg\n0.866239 0.133761 0.500000 Mg\n0.267522 0.133761 0.500000 Mg\n0.466993 0.133943 0.500000 Mg\n0.666950 0.133944 0.500000 Mg\n0.466993 0.333049 0.500000 Mg\n0.866057 0.333050 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.067153 0.334238 0.500000 Mg\n0.267085 0.334238 0.500000 Mg\n0.866057 0.533007 0.500000 Mg\n0.666950 0.533007 0.500000 Mg\n0.066696 0.533348 0.500000 Mg\n0.466652 0.533348 0.500000 Mg\n0.266855 0.533710 0.500000 Mg\n0.866239 0.732478 0.500000 Mg\n0.067153 0.732915 0.500000 Mg\n0.665762 0.732915 0.500000 Mg\n0.466290 0.733145 0.500000 Mg\n0.266855 0.733145 0.500000 Mg\n0.267085 0.932847 0.500000 Mg\n0.665762 0.932847 0.500000 Mg\n0.466652 0.933303 0.500000 Mg\n0.866621 0.933310 0.500000 Mg\n0.066690 0.933311 0.500000 Mg\n0.202064 0.000731 0.663923 Mg\n0.798667 0.000731 0.663923 Mg\n0.202064 0.201333 0.663923 Mg\n0.999269 0.201333 0.663923 Mg\n0.798667 0.797936 0.663923 Mg\n0.999269 0.797936 0.663923 Mg\n0.000000 0.000000 0.665957 Mg\n0.400808 0.000250 0.666046 Mg\n0.599442 0.000250 0.666046 Mg\n0.400808 0.400558 0.666046 Mg\n0.999749 0.400558 0.666046 Mg\n0.999749 0.599191 0.666046 Mg\n0.599442 0.599191 0.666046 Mg\n0.199997 0.399994 0.666275 Mg\n0.600006 0.800003 0.666275 Mg\n0.199997 0.800003 0.666275 Mg\n0.199996 0.599998 0.666342 Mg\n0.400002 0.599998 0.666342 Mg\n0.400002 0.800004 0.666342 Mg\n0.600092 0.200183 0.667089 Mg\n0.799816 0.399908 0.667089 Mg\n0.600092 0.399908 0.667089 Mg\n0.400041 0.200020 0.667452 Mg\n0.799980 0.200021 0.667452 Mg\n0.799980 0.599960 0.667452 Mg\n0.071074 0.142148 0.822664 Mg\n0.857852 0.928926 0.822664 Mg\n0.071074 0.928926 0.822664 Mg\n0.268949 0.336644 0.831897 Mg\n0.067695 0.336645 0.831897 Mg\n0.663356 0.731050 0.831897 Mg\n0.067695 0.731050 0.831897 Mg\n0.268949 0.932305 0.831897 Mg\n0.663356 0.932305 0.831897 Mg\n0.466532 0.533467 0.832051 Mg\n0.066935 0.533467 0.832051 Mg\n0.466532 0.933065 0.832051 Mg\n0.267186 0.534371 0.832677 Mg\n0.465628 0.732814 0.832677 Mg\n0.267186 0.732814 0.832677 Mg\n0.465650 0.132846 0.833619 Mg\n0.667195 0.132846 0.833619 Mg\n0.465650 0.332805 0.833619 Mg\n0.867154 0.332805 0.833619 Mg\n0.867154 0.534349 0.833619 Mg\n0.667195 0.534349 0.833619 Mg\n0.666666 0.333333 0.833812 Mg\n0.262818 0.131409 0.834783 Mg\n0.868591 0.131409 0.834783 Mg\n0.868591 0.737182 0.834783 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Cs",
"Mg"
],
"chemical_system": "Cs-Mg",
"density": 1.7956226288325319,
"density_atomic": 0.043203847236484676,
"volume": 3471.913026146625,
"volume_molar": 13.938899299955024,
"formula_full": "Cs1 Mg149",
"formula_reduced": "CsMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0168030392277744,
"spacegroup": 187
},
{
"id": "oqmd-31790",
"created_at": "2022-09-04T14:49:01.937944Z",
"updated_at": "2022-09-04T14:49:01.937969Z",
"structure_string": "Mg149 V1\n1.0\n13.789439 -7.961341 0.000000\n0.000000 15.922681 0.000000\n0.000000 0.000000 15.587030\nMg V\n149 1\ndirect\n0.601626 0.000211 0.000000 Mg\n0.398586 0.000212 0.000000 Mg\n0.805098 0.000281 0.000000 Mg\n0.195184 0.000282 0.000000 Mg\n0.195184 0.194902 0.000000 Mg\n0.999719 0.194903 0.000000 Mg\n0.599816 0.199632 0.000000 Mg\n0.800222 0.199778 0.000000 Mg\n0.399557 0.199778 0.000000 Mg\n0.398586 0.398375 0.000000 Mg\n0.999789 0.398375 0.000000 Mg\n0.199506 0.399012 0.000000 Mg\n0.599816 0.400183 0.000000 Mg\n0.800368 0.400184 0.000000 Mg\n0.400076 0.599924 0.000000 Mg\n0.199849 0.599924 0.000000 Mg\n0.800222 0.600444 0.000000 Mg\n0.601626 0.601414 0.000000 Mg\n0.999789 0.601415 0.000000 Mg\n0.400076 0.800152 0.000000 Mg\n0.600987 0.800494 0.000000 Mg\n0.199506 0.800494 0.000000 Mg\n0.805098 0.804816 0.000000 Mg\n0.999719 0.804816 0.000000 Mg\n0.064973 0.129946 0.162330 Mg\n0.064973 0.935027 0.162330 Mg\n0.870054 0.935027 0.162330 Mg\n0.266019 0.332633 0.166297 Mg\n0.066614 0.332633 0.166297 Mg\n0.667367 0.733981 0.166297 Mg\n0.066614 0.733982 0.166297 Mg\n0.266019 0.933386 0.166297 Mg\n0.667367 0.933386 0.166297 Mg\n0.066612 0.533306 0.166361 Mg\n0.466694 0.533306 0.166361 Mg\n0.466694 0.933388 0.166361 Mg\n0.267138 0.133569 0.166514 Mg\n0.866431 0.133569 0.166514 Mg\n0.866431 0.732862 0.166514 Mg\n0.266611 0.533221 0.166617 Mg\n0.466779 0.733389 0.166617 Mg\n0.266611 0.733390 0.166617 Mg\n0.666667 0.333333 0.166657 Mg\n0.466634 0.133392 0.166719 Mg\n0.666759 0.133392 0.166719 Mg\n0.466634 0.333242 0.166719 Mg\n0.866608 0.333242 0.166719 Mg\n0.866608 0.533366 0.166719 Mg\n0.666759 0.533366 0.166719 Mg\n0.199240 0.199465 0.332016 Mg\n0.000226 0.199466 0.332016 Mg\n0.000226 0.800760 0.332016 Mg\n0.800535 0.800760 0.332016 Mg\n0.800535 0.999775 0.332016 Mg\n0.199240 0.999775 0.332016 Mg\n0.000000 0.000000 0.332877 Mg\n0.000000 0.399802 0.333067 Mg\n0.399749 0.399802 0.333067 Mg\n0.000000 0.600252 0.333067 Mg\n0.600198 0.600252 0.333067 Mg\n0.600198 0.000000 0.333067 Mg\n0.399749 0.000000 0.333067 Mg\n0.200039 0.400078 0.333344 Mg\n0.599921 0.799961 0.333344 Mg\n0.200039 0.799961 0.333344 Mg\n0.599960 0.199920 0.333369 Mg\n0.800080 0.400040 0.333369 Mg\n0.599960 0.400040 0.333369 Mg\n0.200032 0.600016 0.333473 Mg\n0.399984 0.600016 0.333473 Mg\n0.399984 0.799968 0.333473 Mg\n0.800046 0.199953 0.333474 Mg\n0.399907 0.199954 0.333474 Mg\n0.800046 0.600093 0.333474 Mg\n0.266206 0.133103 0.500000 Mg\n0.866897 0.133103 0.500000 Mg\n0.066554 0.133108 0.500000 Mg\n0.466764 0.133559 0.500000 Mg\n0.666796 0.133560 0.500000 Mg\n0.066423 0.332900 0.500000 Mg\n0.266478 0.332901 0.500000 Mg\n0.466764 0.333204 0.500000 Mg\n0.866441 0.333205 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266561 0.533121 0.500000 Mg\n0.466810 0.533190 0.500000 Mg\n0.066381 0.533190 0.500000 Mg\n0.666796 0.533236 0.500000 Mg\n0.866441 0.533236 0.500000 Mg\n0.466878 0.733439 0.500000 Mg\n0.266561 0.733439 0.500000 Mg\n0.667100 0.733522 0.500000 Mg\n0.066423 0.733522 0.500000 Mg\n0.866897 0.733795 0.500000 Mg\n0.066554 0.933446 0.500000 Mg\n0.866892 0.933446 0.500000 Mg\n0.266478 0.933577 0.500000 Mg\n0.667100 0.933578 0.500000 Mg\n0.466810 0.933620 0.500000 Mg\n0.800046 0.199953 0.666526 Mg\n0.399907 0.199954 0.666526 Mg\n0.800046 0.600093 0.666526 Mg\n0.200032 0.600016 0.666527 Mg\n0.399984 0.600016 0.666527 Mg\n0.399984 0.799968 0.666527 Mg\n0.599960 0.199920 0.666631 Mg\n0.800080 0.400040 0.666631 Mg\n0.599960 0.400040 0.666631 Mg\n0.200039 0.400078 0.666656 Mg\n0.599921 0.799961 0.666656 Mg\n0.200039 0.799961 0.666656 Mg\n0.000000 0.399802 0.666933 Mg\n0.399749 0.399802 0.666933 Mg\n0.000000 0.600252 0.666933 Mg\n0.600198 0.600252 0.666933 Mg\n0.600198 0.000000 0.666933 Mg\n0.399749 0.000000 0.666933 Mg\n0.000000 0.000000 0.667123 Mg\n0.199240 0.199465 0.667984 Mg\n0.000226 0.199466 0.667984 Mg\n0.000226 0.800760 0.667984 Mg\n0.800535 0.800760 0.667984 Mg\n0.800535 0.999775 0.667984 Mg\n0.199240 0.999775 0.667984 Mg\n0.466634 0.133392 0.833281 Mg\n0.666759 0.133392 0.833281 Mg\n0.466634 0.333242 0.833281 Mg\n0.866608 0.333242 0.833281 Mg\n0.866608 0.533366 0.833281 Mg\n0.666759 0.533366 0.833281 Mg\n0.666667 0.333333 0.833343 Mg\n0.266611 0.533221 0.833383 Mg\n0.466779 0.733389 0.833383 Mg\n0.266611 0.733390 0.833383 Mg\n0.267138 0.133569 0.833486 Mg\n0.866431 0.133569 0.833486 Mg\n0.866431 0.732862 0.833486 Mg\n0.066612 0.533306 0.833639 Mg\n0.466694 0.533306 0.833639 Mg\n0.466694 0.933388 0.833639 Mg\n0.266019 0.332633 0.833703 Mg\n0.066614 0.332633 0.833703 Mg\n0.667367 0.733981 0.833703 Mg\n0.066614 0.733982 0.833703 Mg\n0.266019 0.933386 0.833703 Mg\n0.667367 0.933386 0.833703 Mg\n0.064973 0.129946 0.837670 Mg\n0.064973 0.935027 0.837670 Mg\n0.870054 0.935027 0.837670 Mg\n0.000000 0.000000 0.000000 V\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"V"
],
"chemical_system": "Mg-V",
"density": 1.781850716425658,
"density_atomic": 0.04382935659684952,
"volume": 3422.3637225553543,
"volume_molar": 13.739970712763952,
"formula_full": "Mg149 V1",
"formula_reduced": "Mg149V",
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},
{
"id": "oqmd-31788",
"created_at": "2022-09-04T14:49:03.083751Z",
"updated_at": "2022-09-04T14:49:03.083772Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Tm"
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"chemical_system": "Mg-Tm",
"density": 1.8280916038245205,
"density_atomic": 0.04356697979650128,
"volume": 3442.9744889510566,
"volume_molar": 13.822718003701555,
"formula_full": "Tm1 Mg149",
"formula_reduced": "TmMg149",
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{
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"created_at": "2022-09-04T14:49:02.945631Z",
"updated_at": "2022-09-04T14:49:02.945661Z",
"structure_string": "Mg149 In1\n1.0\n13.776754 -7.954017 0.000000\n0.000000 15.908033 0.000000\n0.000000 0.000000 15.644349\nIn Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 In\n0.800027 0.000630 0.000000 Mg\n0.200602 0.000630 0.000000 Mg\n0.999370 0.199972 0.000000 Mg\n0.200602 0.199972 0.000000 Mg\n0.800016 0.199984 0.000000 Mg\n0.399967 0.199984 0.000000 Mg\n0.600035 0.200071 0.000000 Mg\n0.199672 0.399344 0.000000 Mg\n0.600035 0.399965 0.000000 Mg\n0.799929 0.399965 0.000000 Mg\n0.000000 0.400262 0.000000 Mg\n0.400180 0.400262 0.000000 Mg\n0.000000 0.599820 0.000000 Mg\n0.599739 0.599820 0.000000 Mg\n0.400021 0.599979 0.000000 Mg\n0.199959 0.599980 0.000000 Mg\n0.800016 0.600033 0.000000 Mg\n0.999370 0.799397 0.000000 Mg\n0.800027 0.799397 0.000000 Mg\n0.400021 0.800042 0.000000 Mg\n0.199672 0.800328 0.000000 Mg\n0.600656 0.800328 0.000000 Mg\n0.400180 0.000000 0.000000 Mg\n0.599739 0.000000 0.000000 Mg\n0.066461 0.332891 0.166534 Mg\n0.266431 0.332892 0.166534 Mg\n0.066461 0.733569 0.166534 Mg\n0.667109 0.733569 0.166534 Mg\n0.266431 0.933540 0.166534 Mg\n0.667109 0.933540 0.166534 Mg\n0.666576 0.133338 0.166591 Mg\n0.466762 0.133338 0.166591 Mg\n0.466762 0.333423 0.166591 Mg\n0.866662 0.333424 0.166591 Mg\n0.866662 0.533238 0.166591 Mg\n0.666576 0.533239 0.166591 Mg\n0.666666 0.333333 0.166629 Mg\n0.466621 0.533380 0.166691 Mg\n0.066759 0.533380 0.166691 Mg\n0.466621 0.933242 0.166691 Mg\n0.266572 0.533144 0.166693 Mg\n0.266572 0.733428 0.166693 Mg\n0.466855 0.733428 0.166693 Mg\n0.066742 0.133484 0.167160 Mg\n0.866516 0.933258 0.167160 Mg\n0.066742 0.933259 0.167160 Mg\n0.267161 0.133580 0.167173 Mg\n0.866420 0.133581 0.167173 Mg\n0.866420 0.732839 0.167173 Mg\n0.199895 0.399791 0.333194 Mg\n0.199895 0.800105 0.333194 Mg\n0.600209 0.800105 0.333194 Mg\n0.600013 0.200026 0.333247 Mg\n0.600013 0.399987 0.333247 Mg\n0.799974 0.399987 0.333247 Mg\n0.600131 0.000000 0.333258 Mg\n0.399921 0.000000 0.333258 Mg\n0.000000 0.399868 0.333258 Mg\n0.399921 0.399869 0.333258 Mg\n0.600131 0.600079 0.333258 Mg\n0.000000 0.600079 0.333258 Mg\n0.000000 0.000000 0.333296 Mg\n0.799982 0.200018 0.333320 Mg\n0.400037 0.200018 0.333320 Mg\n0.799982 0.599963 0.333320 Mg\n0.400005 0.599995 0.333395 Mg\n0.199990 0.599995 0.333395 Mg\n0.400005 0.800010 0.333395 Mg\n0.800072 0.000000 0.333545 Mg\n0.199948 0.000000 0.333545 Mg\n0.000000 0.199927 0.333545 Mg\n0.199948 0.199928 0.333545 Mg\n0.000000 0.800052 0.333545 Mg\n0.800072 0.800053 0.333545 Mg\n0.066614 0.133227 0.500000 Mg\n0.866668 0.133331 0.500000 Mg\n0.266664 0.133332 0.500000 Mg\n0.466728 0.133342 0.500000 Mg\n0.666613 0.133342 0.500000 Mg\n0.066606 0.333276 0.500000 Mg\n0.266670 0.333276 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.466728 0.333387 0.500000 Mg\n0.866658 0.333387 0.500000 Mg\n0.666613 0.533272 0.500000 Mg\n0.866658 0.533272 0.500000 Mg\n0.466698 0.533302 0.500000 Mg\n0.066604 0.533302 0.500000 Mg\n0.266656 0.533312 0.500000 Mg\n0.666724 0.733330 0.500000 Mg\n0.066606 0.733330 0.500000 Mg\n0.866668 0.733336 0.500000 Mg\n0.266656 0.733344 0.500000 Mg\n0.466688 0.733344 0.500000 Mg\n0.066614 0.933387 0.500000 Mg\n0.866773 0.933387 0.500000 Mg\n0.666724 0.933394 0.500000 Mg\n0.266670 0.933394 0.500000 Mg\n0.466698 0.933396 0.500000 Mg\n0.800072 0.000000 0.666455 Mg\n0.199948 0.000000 0.666455 Mg\n0.000000 0.199927 0.666455 Mg\n0.199948 0.199928 0.666455 Mg\n0.000000 0.800052 0.666455 Mg\n0.800072 0.800053 0.666455 Mg\n0.400005 0.599995 0.666604 Mg\n0.199990 0.599995 0.666604 Mg\n0.400005 0.800010 0.666604 Mg\n0.799982 0.200018 0.666680 Mg\n0.400037 0.200018 0.666680 Mg\n0.799982 0.599963 0.666680 Mg\n0.000000 0.000000 0.666704 Mg\n0.600131 0.000000 0.666742 Mg\n0.399921 0.000000 0.666742 Mg\n0.000000 0.399868 0.666742 Mg\n0.399921 0.399869 0.666742 Mg\n0.600131 0.600079 0.666742 Mg\n0.000000 0.600079 0.666742 Mg\n0.600013 0.200026 0.666753 Mg\n0.600013 0.399987 0.666753 Mg\n0.799974 0.399987 0.666753 Mg\n0.199895 0.399791 0.666806 Mg\n0.199895 0.800105 0.666806 Mg\n0.600209 0.800105 0.666806 Mg\n0.267161 0.133580 0.832827 Mg\n0.866420 0.133581 0.832827 Mg\n0.866420 0.732839 0.832827 Mg\n0.066742 0.133484 0.832840 Mg\n0.866516 0.933258 0.832840 Mg\n0.066742 0.933259 0.832840 Mg\n0.266572 0.533144 0.833307 Mg\n0.266572 0.733428 0.833307 Mg\n0.466855 0.733428 0.833307 Mg\n0.466621 0.533380 0.833309 Mg\n0.066759 0.533380 0.833309 Mg\n0.466621 0.933242 0.833309 Mg\n0.666666 0.333333 0.833371 Mg\n0.666576 0.133338 0.833410 Mg\n0.466762 0.133338 0.833410 Mg\n0.466762 0.333423 0.833410 Mg\n0.866662 0.333424 0.833410 Mg\n0.866662 0.533238 0.833410 Mg\n0.666576 0.533239 0.833410 Mg\n0.066461 0.332891 0.833466 Mg\n0.266431 0.332892 0.833466 Mg\n0.066461 0.733569 0.833466 Mg\n0.667109 0.733569 0.833466 Mg\n0.266431 0.933540 0.833466 Mg\n0.667109 0.933540 0.833466 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"In",
"Mg"
],
"chemical_system": "In-Mg",
"density": 1.8095294430092304,
"density_atomic": 0.04374922624129446,
"volume": 3428.6320670607997,
"volume_molar": 13.765136614726597,
"formula_full": "Mg149 In1",
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},
{
"id": "oqmd-31739",
"created_at": "2022-09-04T14:49:02.469148Z",
"updated_at": "2022-09-04T14:49:02.469180Z",
"structure_string": "Mg149 H1\n1.0\n13.772230 -7.951404 0.000000\n0.000000 15.902809 0.000000\n0.000000 0.000000 15.597132\nH Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 H\n0.804084 0.000561 0.000000 Mg\n0.196477 0.000561 0.000000 Mg\n0.196477 0.195915 0.000000 Mg\n0.999439 0.195916 0.000000 Mg\n0.399102 0.199551 0.000000 Mg\n0.800449 0.199551 0.000000 Mg\n0.599967 0.199934 0.000000 Mg\n0.199243 0.398486 0.000000 Mg\n0.000252 0.399588 0.000000 Mg\n0.399336 0.399589 0.000000 Mg\n0.800066 0.400033 0.000000 Mg\n0.599967 0.400033 0.000000 Mg\n0.200051 0.600025 0.000000 Mg\n0.399974 0.600025 0.000000 Mg\n0.000252 0.600663 0.000000 Mg\n0.600411 0.600664 0.000000 Mg\n0.800449 0.600899 0.000000 Mg\n0.399974 0.799949 0.000000 Mg\n0.601515 0.800757 0.000000 Mg\n0.199243 0.800757 0.000000 Mg\n0.804084 0.803523 0.000000 Mg\n0.999439 0.803524 0.000000 Mg\n0.600411 0.999747 0.000000 Mg\n0.399336 0.999747 0.000000 Mg\n0.065231 0.130461 0.162947 Mg\n0.065231 0.934769 0.162947 Mg\n0.869539 0.934769 0.162947 Mg\n0.265918 0.332408 0.166221 Mg\n0.066489 0.332408 0.166221 Mg\n0.066489 0.734081 0.166221 Mg\n0.667592 0.734081 0.166221 Mg\n0.667592 0.933511 0.166221 Mg\n0.265918 0.933511 0.166221 Mg\n0.666667 0.333333 0.166388 Mg\n0.666893 0.133081 0.166428 Mg\n0.466188 0.133082 0.166428 Mg\n0.866918 0.333106 0.166428 Mg\n0.466188 0.333107 0.166428 Mg\n0.866918 0.533812 0.166428 Mg\n0.666893 0.533812 0.166428 Mg\n0.867144 0.132856 0.166443 Mg\n0.265712 0.132856 0.166443 Mg\n0.867144 0.734288 0.166443 Mg\n0.266488 0.532975 0.166565 Mg\n0.467025 0.733512 0.166565 Mg\n0.266488 0.733513 0.166565 Mg\n0.066660 0.533330 0.166703 Mg\n0.466670 0.533330 0.166703 Mg\n0.466670 0.933339 0.166703 Mg\n0.000000 0.000000 0.330854 Mg\n0.000390 0.199887 0.332903 Mg\n0.199497 0.199887 0.332903 Mg\n0.800114 0.800503 0.332903 Mg\n0.000390 0.800503 0.332903 Mg\n0.199497 0.999610 0.332903 Mg\n0.800114 0.999611 0.332903 Mg\n0.599981 0.199961 0.333039 Mg\n0.800039 0.400019 0.333039 Mg\n0.599981 0.400020 0.333039 Mg\n0.800172 0.199828 0.333109 Mg\n0.399656 0.199828 0.333109 Mg\n0.800172 0.600344 0.333109 Mg\n0.000000 0.399839 0.333185 Mg\n0.399831 0.399840 0.333185 Mg\n0.000000 0.600169 0.333185 Mg\n0.600161 0.600169 0.333185 Mg\n0.399831 0.000000 0.333185 Mg\n0.600161 0.000000 0.333185 Mg\n0.199962 0.399923 0.333193 Mg\n0.600077 0.800038 0.333193 Mg\n0.199962 0.800039 0.333193 Mg\n0.200051 0.600025 0.333458 Mg\n0.399974 0.600025 0.333458 Mg\n0.399974 0.799949 0.333458 Mg\n0.066413 0.132826 0.500000 Mg\n0.266676 0.133338 0.500000 Mg\n0.866662 0.133338 0.500000 Mg\n0.666740 0.133728 0.500000 Mg\n0.466988 0.133728 0.500000 Mg\n0.066495 0.333167 0.500000 Mg\n0.266671 0.333167 0.500000 Mg\n0.866271 0.333259 0.500000 Mg\n0.466988 0.333259 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.666740 0.533012 0.500000 Mg\n0.866271 0.533012 0.500000 Mg\n0.066396 0.533198 0.500000 Mg\n0.466802 0.533198 0.500000 Mg\n0.266669 0.533338 0.500000 Mg\n0.866662 0.733324 0.500000 Mg\n0.066495 0.733328 0.500000 Mg\n0.666832 0.733329 0.500000 Mg\n0.466662 0.733331 0.500000 Mg\n0.266669 0.733331 0.500000 Mg\n0.666832 0.933504 0.500000 Mg\n0.266671 0.933504 0.500000 Mg\n0.867174 0.933587 0.500000 Mg\n0.066413 0.933587 0.500000 Mg\n0.466802 0.933604 0.500000 Mg\n0.200051 0.600025 0.666542 Mg\n0.399974 0.600025 0.666542 Mg\n0.399974 0.799949 0.666542 Mg\n0.199962 0.399923 0.666808 Mg\n0.600077 0.800038 0.666808 Mg\n0.199962 0.800039 0.666808 Mg\n0.000000 0.399839 0.666815 Mg\n0.399831 0.399840 0.666815 Mg\n0.000000 0.600169 0.666815 Mg\n0.600161 0.600169 0.666815 Mg\n0.399831 0.000000 0.666815 Mg\n0.600161 0.000000 0.666815 Mg\n0.800172 0.199828 0.666891 Mg\n0.399656 0.199828 0.666891 Mg\n0.800172 0.600344 0.666891 Mg\n0.599981 0.199961 0.666960 Mg\n0.800039 0.400019 0.666960 Mg\n0.599981 0.400020 0.666960 Mg\n0.000390 0.199887 0.667097 Mg\n0.199497 0.199887 0.667097 Mg\n0.800114 0.800503 0.667097 Mg\n0.000390 0.800503 0.667097 Mg\n0.199497 0.999610 0.667097 Mg\n0.800114 0.999611 0.667097 Mg\n0.000000 0.000000 0.669146 Mg\n0.066660 0.533330 0.833297 Mg\n0.466670 0.533330 0.833297 Mg\n0.466670 0.933339 0.833297 Mg\n0.266488 0.532975 0.833435 Mg\n0.467025 0.733512 0.833435 Mg\n0.266488 0.733513 0.833435 Mg\n0.867144 0.132856 0.833557 Mg\n0.265712 0.132856 0.833557 Mg\n0.867144 0.734288 0.833557 Mg\n0.666893 0.133081 0.833572 Mg\n0.466188 0.133082 0.833572 Mg\n0.866918 0.333106 0.833572 Mg\n0.466188 0.333107 0.833572 Mg\n0.866918 0.533812 0.833572 Mg\n0.666893 0.533812 0.833572 Mg\n0.666667 0.333333 0.833612 Mg\n0.265918 0.332408 0.833779 Mg\n0.066489 0.332408 0.833779 Mg\n0.066489 0.734081 0.833779 Mg\n0.667592 0.734081 0.833779 Mg\n0.667592 0.933511 0.833779 Mg\n0.265918 0.933511 0.833779 Mg\n0.065231 0.130461 0.837053 Mg\n0.065231 0.934769 0.837053 Mg\n0.869539 0.934769 0.837053 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"H",
"Mg"
],
"chemical_system": "H-Mg",
"density": 1.760876883563205,
"density_atomic": 0.043910501943659565,
"volume": 3416.0392926608115,
"volume_molar": 13.714579641396162,
"formula_full": "Mg149 H1",
"formula_reduced": "Mg149H",
"formula_anonymous": "AB149",
"formation_energy": 0.0127728192132133,
"spacegroup": 187
},
{
"id": "oqmd-31777",
"created_at": "2022-09-04T14:49:02.595691Z",
"updated_at": "2022-09-04T14:49:02.595736Z",
"structure_string": "Mg149 Si1\n1.0\n13.770832 -7.950598 0.000000\n0.000000 15.901194 0.000000\n0.000000 0.000000 15.598965\nMg Si\n149 1\ndirect\n0.804910 0.001210 0.000000 Mg\n0.196300 0.001210 0.000000 Mg\n0.998789 0.195090 0.000000 Mg\n0.196300 0.195090 0.000000 Mg\n0.398740 0.199370 0.000000 Mg\n0.800630 0.199370 0.000000 Mg\n0.599983 0.199967 0.000000 Mg\n0.198745 0.397490 0.000000 Mg\n0.399380 0.399492 0.000000 Mg\n0.000113 0.399493 0.000000 Mg\n0.599983 0.400016 0.000000 Mg\n0.800033 0.400017 0.000000 Mg\n0.400131 0.599869 0.000000 Mg\n0.199738 0.599869 0.000000 Mg\n0.600507 0.600620 0.000000 Mg\n0.000113 0.600620 0.000000 Mg\n0.800630 0.601260 0.000000 Mg\n0.400131 0.800262 0.000000 Mg\n0.198745 0.801255 0.000000 Mg\n0.602510 0.801255 0.000000 Mg\n0.998789 0.803699 0.000000 Mg\n0.804910 0.803700 0.000000 Mg\n0.600507 0.999886 0.000000 Mg\n0.399380 0.999887 0.000000 Mg\n0.065165 0.130331 0.163140 Mg\n0.065165 0.934834 0.163140 Mg\n0.869669 0.934835 0.163140 Mg\n0.265442 0.331485 0.165855 Mg\n0.066042 0.331485 0.165855 Mg\n0.668515 0.734558 0.165855 Mg\n0.066042 0.734558 0.165855 Mg\n0.265442 0.933958 0.165855 Mg\n0.668515 0.933958 0.165855 Mg\n0.266294 0.532588 0.166282 Mg\n0.467412 0.733706 0.166282 Mg\n0.266294 0.733706 0.166282 Mg\n0.066632 0.533316 0.166367 Mg\n0.466684 0.533316 0.166367 Mg\n0.466684 0.933368 0.166367 Mg\n0.466631 0.133279 0.166384 Mg\n0.666648 0.133279 0.166384 Mg\n0.866720 0.333352 0.166384 Mg\n0.466631 0.333352 0.166384 Mg\n0.866720 0.533368 0.166384 Mg\n0.666648 0.533369 0.166384 Mg\n0.666666 0.333333 0.166430 Mg\n0.866382 0.133618 0.167237 Mg\n0.267236 0.133618 0.167237 Mg\n0.866382 0.732764 0.167237 Mg\n0.000000 0.000000 0.331776 Mg\n0.199223 0.199477 0.332795 Mg\n0.000255 0.199478 0.332795 Mg\n0.800522 0.800777 0.332795 Mg\n0.000255 0.800777 0.332795 Mg\n0.199223 0.999745 0.332795 Mg\n0.800522 0.999745 0.332795 Mg\n0.199812 0.399624 0.332861 Mg\n0.199812 0.800187 0.332861 Mg\n0.600375 0.800188 0.332861 Mg\n0.000000 0.399683 0.333032 Mg\n0.399648 0.399683 0.333032 Mg\n0.600317 0.600353 0.333032 Mg\n0.000000 0.600353 0.333032 Mg\n0.399648 0.000000 0.333032 Mg\n0.600317 0.000000 0.333032 Mg\n0.599967 0.199935 0.333138 Mg\n0.599967 0.400033 0.333138 Mg\n0.800066 0.400033 0.333138 Mg\n0.399698 0.199849 0.333184 Mg\n0.800151 0.199849 0.333184 Mg\n0.800151 0.600302 0.333184 Mg\n0.199969 0.599985 0.333239 Mg\n0.400016 0.599985 0.333239 Mg\n0.400016 0.800031 0.333239 Mg\n0.066495 0.132990 0.500000 Mg\n0.866760 0.133239 0.500000 Mg\n0.266479 0.133240 0.500000 Mg\n0.666588 0.133388 0.500000 Mg\n0.466800 0.133388 0.500000 Mg\n0.266480 0.332938 0.500000 Mg\n0.066458 0.332938 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866612 0.333412 0.500000 Mg\n0.466800 0.333412 0.500000 Mg\n0.666588 0.533200 0.500000 Mg\n0.866612 0.533201 0.500000 Mg\n0.266653 0.533305 0.500000 Mg\n0.066650 0.533325 0.500000 Mg\n0.466675 0.533326 0.500000 Mg\n0.466695 0.733348 0.500000 Mg\n0.266653 0.733348 0.500000 Mg\n0.667062 0.733520 0.500000 Mg\n0.066458 0.733520 0.500000 Mg\n0.866760 0.733521 0.500000 Mg\n0.466675 0.933350 0.500000 Mg\n0.066495 0.933505 0.500000 Mg\n0.867010 0.933505 0.500000 Mg\n0.667062 0.933542 0.500000 Mg\n0.266480 0.933542 0.500000 Mg\n0.199969 0.599985 0.666760 Mg\n0.400016 0.599985 0.666760 Mg\n0.400016 0.800031 0.666760 Mg\n0.399698 0.199849 0.666815 Mg\n0.800151 0.199849 0.666815 Mg\n0.800151 0.600302 0.666815 Mg\n0.599967 0.199935 0.666862 Mg\n0.599967 0.400033 0.666862 Mg\n0.800066 0.400033 0.666862 Mg\n0.000000 0.399683 0.666967 Mg\n0.399648 0.399683 0.666967 Mg\n0.600317 0.600353 0.666967 Mg\n0.000000 0.600353 0.666967 Mg\n0.399648 0.000000 0.666967 Mg\n0.600317 0.000000 0.666967 Mg\n0.199812 0.399624 0.667139 Mg\n0.199812 0.800187 0.667139 Mg\n0.600375 0.800188 0.667139 Mg\n0.199223 0.199477 0.667205 Mg\n0.000255 0.199478 0.667205 Mg\n0.800522 0.800777 0.667205 Mg\n0.000255 0.800777 0.667205 Mg\n0.199223 0.999745 0.667205 Mg\n0.800522 0.999745 0.667205 Mg\n0.000000 0.000000 0.668224 Mg\n0.866382 0.133618 0.832763 Mg\n0.267236 0.133618 0.832763 Mg\n0.866382 0.732764 0.832763 Mg\n0.666666 0.333333 0.833569 Mg\n0.466631 0.133279 0.833616 Mg\n0.666648 0.133279 0.833616 Mg\n0.866720 0.333352 0.833616 Mg\n0.466631 0.333352 0.833616 Mg\n0.866720 0.533368 0.833616 Mg\n0.666648 0.533369 0.833616 Mg\n0.066632 0.533316 0.833632 Mg\n0.466684 0.533316 0.833632 Mg\n0.466684 0.933368 0.833632 Mg\n0.266294 0.532588 0.833717 Mg\n0.467412 0.733706 0.833717 Mg\n0.266294 0.733706 0.833717 Mg\n0.265442 0.331485 0.834145 Mg\n0.066042 0.331485 0.834145 Mg\n0.668515 0.734558 0.834145 Mg\n0.066042 0.734558 0.834145 Mg\n0.265442 0.933958 0.834145 Mg\n0.668515 0.933958 0.834145 Mg\n0.065165 0.130331 0.836860 Mg\n0.065165 0.934834 0.836860 Mg\n0.869669 0.934835 0.836860 Mg\n0.000000 0.000000 0.000000 Si\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 1.7741910950671302,
"density_atomic": 0.04391425902588748,
"volume": 3415.7470335905005,
"volume_molar": 13.713406291222961,
"formula_full": "Mg149 Si1",
"formula_reduced": "Mg149Si",
"formula_anonymous": "AB149",
"formation_energy": 0.0028936370611078,
"spacegroup": 187
}
]
}