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{
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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-31731",
"created_at": "2022-09-04T14:49:01.111586Z",
"updated_at": "2022-09-04T14:49:01.111616Z",
"structure_string": "Dy1 Mg149\n1.0\n13.819234 -7.978542 0.000000\n0.000000 15.957084 0.000000\n0.000000 0.000000 15.622718\nDy Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Dy\n0.599938 0.199876 0.000000 Mg\n0.799541 0.200459 0.000000 Mg\n0.400918 0.200459 0.000000 Mg\n0.002916 0.204104 0.000000 Mg\n0.201188 0.204104 0.000000 Mg\n0.000133 0.399893 0.000000 Mg\n0.399760 0.399893 0.000000 Mg\n0.800124 0.400062 0.000000 Mg\n0.599938 0.400062 0.000000 Mg\n0.201478 0.402956 0.000000 Mg\n0.799541 0.599082 0.000000 Mg\n0.200434 0.600217 0.000000 Mg\n0.399783 0.600217 0.000000 Mg\n0.000133 0.600240 0.000000 Mg\n0.600106 0.600240 0.000000 Mg\n0.201478 0.798522 0.000000 Mg\n0.597044 0.798522 0.000000 Mg\n0.002916 0.798812 0.000000 Mg\n0.795896 0.798812 0.000000 Mg\n0.399783 0.799566 0.000000 Mg\n0.795896 0.997084 0.000000 Mg\n0.201188 0.997084 0.000000 Mg\n0.399760 0.999866 0.000000 Mg\n0.600106 0.999867 0.000000 Mg\n0.263573 0.131787 0.164718 Mg\n0.868213 0.131787 0.164718 Mg\n0.868213 0.736427 0.164718 Mg\n0.666666 0.333333 0.166326 Mg\n0.465498 0.132819 0.166518 Mg\n0.667320 0.132819 0.166518 Mg\n0.465498 0.332680 0.166518 Mg\n0.867181 0.332680 0.166518 Mg\n0.667320 0.534501 0.166518 Mg\n0.867181 0.534501 0.166518 Mg\n0.066597 0.533298 0.167262 Mg\n0.466701 0.533299 0.167262 Mg\n0.466701 0.933403 0.167262 Mg\n0.267147 0.534292 0.167459 Mg\n0.465707 0.732854 0.167459 Mg\n0.267147 0.732854 0.167459 Mg\n0.267767 0.335630 0.167633 Mg\n0.067863 0.335630 0.167633 Mg\n0.067863 0.732233 0.167633 Mg\n0.664370 0.732233 0.167633 Mg\n0.267767 0.932136 0.167633 Mg\n0.664370 0.932137 0.167633 Mg\n0.067525 0.135050 0.168884 Mg\n0.864950 0.932475 0.168884 Mg\n0.067525 0.932475 0.168884 Mg\n0.399887 0.199943 0.332902 Mg\n0.800057 0.199944 0.332902 Mg\n0.800057 0.600113 0.332902 Mg\n0.600079 0.200158 0.332948 Mg\n0.600079 0.399921 0.332948 Mg\n0.799842 0.399921 0.332948 Mg\n0.000000 0.200421 0.333389 Mg\n0.200405 0.200421 0.333389 Mg\n0.000000 0.799594 0.333389 Mg\n0.799579 0.799594 0.333389 Mg\n0.200405 0.000000 0.333389 Mg\n0.799579 0.000000 0.333389 Mg\n0.400430 0.000216 0.333743 Mg\n0.599787 0.000216 0.333743 Mg\n0.999783 0.400214 0.333743 Mg\n0.400430 0.400214 0.333743 Mg\n0.999783 0.599570 0.333743 Mg\n0.599787 0.599570 0.333743 Mg\n0.399979 0.600020 0.333879 Mg\n0.200041 0.600020 0.333879 Mg\n0.399979 0.799959 0.333879 Mg\n0.200307 0.400614 0.334140 Mg\n0.200307 0.799692 0.334140 Mg\n0.599386 0.799693 0.334140 Mg\n0.000000 0.000000 0.334444 Mg\n0.267005 0.133503 0.500000 Mg\n0.866497 0.133503 0.500000 Mg\n0.066800 0.133599 0.500000 Mg\n0.467119 0.134176 0.500000 Mg\n0.667058 0.134177 0.500000 Mg\n0.467119 0.332942 0.500000 Mg\n0.865824 0.332942 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066748 0.333661 0.500000 Mg\n0.266913 0.333661 0.500000 Mg\n0.667058 0.532881 0.500000 Mg\n0.865824 0.532881 0.500000 Mg\n0.066318 0.533159 0.500000 Mg\n0.466841 0.533159 0.500000 Mg\n0.266762 0.533523 0.500000 Mg\n0.866497 0.732995 0.500000 Mg\n0.066748 0.733087 0.500000 Mg\n0.666339 0.733087 0.500000 Mg\n0.466477 0.733238 0.500000 Mg\n0.266762 0.733238 0.500000 Mg\n0.066800 0.933200 0.500000 Mg\n0.866401 0.933200 0.500000 Mg\n0.266913 0.933252 0.500000 Mg\n0.666339 0.933252 0.500000 Mg\n0.466841 0.933683 0.500000 Mg\n0.000000 0.000000 0.665556 Mg\n0.200307 0.400614 0.665860 Mg\n0.200307 0.799692 0.665860 Mg\n0.599386 0.799693 0.665860 Mg\n0.399979 0.600020 0.666121 Mg\n0.200041 0.600020 0.666121 Mg\n0.399979 0.799959 0.666121 Mg\n0.400430 0.000216 0.666257 Mg\n0.599787 0.000216 0.666257 Mg\n0.999783 0.400214 0.666257 Mg\n0.400430 0.400214 0.666257 Mg\n0.999783 0.599570 0.666257 Mg\n0.599787 0.599570 0.666257 Mg\n0.000000 0.200421 0.666611 Mg\n0.200405 0.200421 0.666611 Mg\n0.000000 0.799594 0.666611 Mg\n0.799579 0.799594 0.666611 Mg\n0.200405 0.000000 0.666611 Mg\n0.799579 0.000000 0.666611 Mg\n0.600079 0.200158 0.667052 Mg\n0.600079 0.399921 0.667052 Mg\n0.799842 0.399921 0.667052 Mg\n0.399887 0.199943 0.667098 Mg\n0.800057 0.199944 0.667098 Mg\n0.800057 0.600113 0.667098 Mg\n0.067525 0.135050 0.831116 Mg\n0.864950 0.932475 0.831116 Mg\n0.067525 0.932475 0.831116 Mg\n0.267767 0.335630 0.832367 Mg\n0.067863 0.335630 0.832367 Mg\n0.067863 0.732233 0.832367 Mg\n0.664370 0.732233 0.832367 Mg\n0.267767 0.932136 0.832367 Mg\n0.664370 0.932137 0.832367 Mg\n0.267147 0.534292 0.832541 Mg\n0.465707 0.732854 0.832541 Mg\n0.267147 0.732854 0.832541 Mg\n0.066597 0.533298 0.832738 Mg\n0.466701 0.533299 0.832738 Mg\n0.466701 0.933403 0.832738 Mg\n0.465498 0.132819 0.833482 Mg\n0.667320 0.132819 0.833482 Mg\n0.465498 0.332680 0.833482 Mg\n0.867181 0.332680 0.833482 Mg\n0.667320 0.534501 0.833482 Mg\n0.867181 0.534501 0.833482 Mg\n0.666666 0.333333 0.833673 Mg\n0.263573 0.131787 0.835282 Mg\n0.868213 0.131787 0.835282 Mg\n0.868213 0.736427 0.835282 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Dy",
"Mg"
],
"chemical_system": "Dy-Mg",
"density": 1.8238949345959206,
"density_atomic": 0.04354087611494106,
"volume": 3445.0386254062414,
"volume_molar": 13.831005017222198,
"formula_full": "Dy1 Mg149",
"formula_reduced": "DyMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0001988421166633,
"spacegroup": 187
},
{
"id": "oqmd-31733",
"created_at": "2022-09-04T14:49:02.035451Z",
"updated_at": "2022-09-04T14:49:02.035462Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Eu",
"Mg"
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"chemical_system": "Eu-Mg",
"density": 1.8139081857510624,
"density_atomic": 0.04342337561638862,
"volume": 3454.3606495527215,
"volume_molar": 13.868430711607678,
"formula_full": "Eu1 Mg149",
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},
{
"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": [
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"V"
],
"chemical_system": "Mg-V",
"density": 1.781850716425658,
"density_atomic": 0.04382935659684952,
"volume": 3422.3637225553543,
"volume_molar": 13.739970712763952,
"formula_full": "Mg149 V1",
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},
{
"id": "oqmd-31723",
"created_at": "2022-09-04T14:49:02.854846Z",
"updated_at": "2022-09-04T14:49:02.854875Z",
"structure_string": "Ca1 Mg149\n1.0\n13.814631 -7.975885 0.000000\n0.000000 15.951769 0.000000\n0.000000 0.000000 15.652889\nCa Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ca\n0.600088 0.200176 0.000000 Mg\n0.400808 0.200404 0.000000 Mg\n0.799596 0.200404 0.000000 Mg\n0.002482 0.206320 0.000000 Mg\n0.203838 0.206320 0.000000 Mg\n0.600088 0.399912 0.000000 Mg\n0.799824 0.399912 0.000000 Mg\n0.000250 0.401010 0.000000 Mg\n0.400761 0.401011 0.000000 Mg\n0.201555 0.403110 0.000000 Mg\n0.799596 0.599192 0.000000 Mg\n0.000250 0.599239 0.000000 Mg\n0.598990 0.599240 0.000000 Mg\n0.200567 0.600283 0.000000 Mg\n0.399717 0.600284 0.000000 Mg\n0.793680 0.796162 0.000000 Mg\n0.002482 0.796162 0.000000 Mg\n0.596890 0.798445 0.000000 Mg\n0.201555 0.798445 0.000000 Mg\n0.399717 0.799433 0.000000 Mg\n0.793680 0.997517 0.000000 Mg\n0.203838 0.997518 0.000000 Mg\n0.400761 0.999750 0.000000 Mg\n0.598990 0.999750 0.000000 Mg\n0.264186 0.132093 0.165185 Mg\n0.867907 0.132093 0.165185 Mg\n0.867907 0.735814 0.165185 Mg\n0.666666 0.333333 0.166348 Mg\n0.465883 0.132984 0.166548 Mg\n0.667101 0.132984 0.166548 Mg\n0.465883 0.332899 0.166548 Mg\n0.867016 0.332899 0.166548 Mg\n0.667101 0.534117 0.166548 Mg\n0.867016 0.534117 0.166548 Mg\n0.066630 0.533315 0.167319 Mg\n0.466685 0.533315 0.167319 Mg\n0.466685 0.933370 0.167319 Mg\n0.267077 0.534154 0.167392 Mg\n0.465847 0.732923 0.167392 Mg\n0.267077 0.732923 0.167392 Mg\n0.267900 0.335532 0.167692 Mg\n0.067633 0.335533 0.167692 Mg\n0.067633 0.732100 0.167692 Mg\n0.664468 0.732100 0.167692 Mg\n0.267900 0.932368 0.167692 Mg\n0.664468 0.932368 0.167692 Mg\n0.068313 0.136626 0.170712 Mg\n0.863374 0.931687 0.170712 Mg\n0.068313 0.931687 0.170712 Mg\n0.399956 0.199978 0.332904 Mg\n0.800022 0.199979 0.332904 Mg\n0.800022 0.600043 0.332904 Mg\n0.600086 0.200171 0.333036 Mg\n0.799829 0.399914 0.333036 Mg\n0.600086 0.399914 0.333036 Mg\n0.400465 0.000235 0.333777 Mg\n0.599769 0.000235 0.333777 Mg\n0.400465 0.400231 0.333777 Mg\n0.999765 0.400231 0.333777 Mg\n0.999765 0.599534 0.333777 Mg\n0.599769 0.599534 0.333777 Mg\n0.199967 0.599983 0.333816 Mg\n0.400016 0.599983 0.333816 Mg\n0.400016 0.800033 0.333816 Mg\n0.200242 0.400484 0.334016 Mg\n0.599517 0.799758 0.334016 Mg\n0.200242 0.799758 0.334016 Mg\n0.799400 0.000157 0.334031 Mg\n0.200758 0.000158 0.334031 Mg\n0.999842 0.200600 0.334031 Mg\n0.200758 0.200601 0.334031 Mg\n0.999842 0.799242 0.334031 Mg\n0.799400 0.799242 0.334031 Mg\n0.000000 0.000000 0.334221 Mg\n0.066771 0.133543 0.500000 Mg\n0.866449 0.133550 0.500000 Mg\n0.267101 0.133550 0.500000 Mg\n0.467013 0.133933 0.500000 Mg\n0.666920 0.133933 0.500000 Mg\n0.467013 0.333080 0.500000 Mg\n0.866067 0.333080 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266905 0.333723 0.500000 Mg\n0.066818 0.333723 0.500000 Mg\n0.866067 0.532987 0.500000 Mg\n0.666920 0.532987 0.500000 Mg\n0.066517 0.533258 0.500000 Mg\n0.466741 0.533258 0.500000 Mg\n0.266808 0.533617 0.500000 Mg\n0.866449 0.732899 0.500000 Mg\n0.666278 0.733094 0.500000 Mg\n0.066818 0.733095 0.500000 Mg\n0.466383 0.733191 0.500000 Mg\n0.266808 0.733192 0.500000 Mg\n0.266905 0.933183 0.500000 Mg\n0.666278 0.933183 0.500000 Mg\n0.866457 0.933228 0.500000 Mg\n0.066771 0.933229 0.500000 Mg\n0.466741 0.933483 0.500000 Mg\n0.000000 0.000000 0.665779 Mg\n0.799400 0.000157 0.665969 Mg\n0.200758 0.000158 0.665969 Mg\n0.999842 0.200600 0.665969 Mg\n0.200758 0.200601 0.665969 Mg\n0.999842 0.799242 0.665969 Mg\n0.799400 0.799242 0.665969 Mg\n0.200242 0.400484 0.665984 Mg\n0.599517 0.799758 0.665984 Mg\n0.200242 0.799758 0.665984 Mg\n0.199967 0.599983 0.666184 Mg\n0.400016 0.599983 0.666184 Mg\n0.400016 0.800033 0.666184 Mg\n0.400465 0.000235 0.666223 Mg\n0.599769 0.000235 0.666223 Mg\n0.400465 0.400231 0.666223 Mg\n0.999765 0.400231 0.666223 Mg\n0.999765 0.599534 0.666223 Mg\n0.599769 0.599534 0.666223 Mg\n0.600086 0.200171 0.666964 Mg\n0.799829 0.399914 0.666964 Mg\n0.600086 0.399914 0.666964 Mg\n0.399956 0.199978 0.667095 Mg\n0.800022 0.199979 0.667095 Mg\n0.800022 0.600043 0.667095 Mg\n0.068313 0.136626 0.829288 Mg\n0.863374 0.931687 0.829288 Mg\n0.068313 0.931687 0.829288 Mg\n0.267900 0.335532 0.832308 Mg\n0.067633 0.335533 0.832308 Mg\n0.067633 0.732100 0.832308 Mg\n0.664468 0.732100 0.832308 Mg\n0.267900 0.932368 0.832308 Mg\n0.664468 0.932368 0.832308 Mg\n0.267077 0.534154 0.832608 Mg\n0.465847 0.732923 0.832608 Mg\n0.267077 0.732923 0.832608 Mg\n0.066630 0.533315 0.832681 Mg\n0.466685 0.533315 0.832681 Mg\n0.466685 0.933370 0.832681 Mg\n0.465883 0.132984 0.833453 Mg\n0.667101 0.132984 0.833453 Mg\n0.465883 0.332899 0.833453 Mg\n0.867016 0.332899 0.833453 Mg\n0.667101 0.534117 0.833453 Mg\n0.867016 0.534117 0.833453 Mg\n0.666666 0.333333 0.833652 Mg\n0.264186 0.132093 0.834815 Mg\n0.867907 0.132093 0.834815 Mg\n0.867907 0.735814 0.834815 Mg\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Ca-Mg",
"density": 1.7626586537172648,
"density_atomic": 0.04348591499296512,
"volume": 3449.392752211056,
"volume_molar": 13.84848579355919,
"formula_full": "Ca1 Mg149",
"formula_reduced": "CaMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.000576431294441,
"spacegroup": 187
},
{
"id": "oqmd-31712",
"created_at": "2022-09-04T14:49:02.371730Z",
"updated_at": "2022-09-04T14:49:02.371755Z",
"structure_string": "Ac1 Mg149\n1.0\n13.842444 -7.991942 0.000000\n0.000000 15.983885 0.000000\n0.000000 0.000000 15.653632\nAc Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ac\n0.600150 0.200300 0.000000 Mg\n0.402081 0.201041 0.000000 Mg\n0.798959 0.201041 0.000000 Mg\n0.207112 0.211255 0.000000 Mg\n0.004144 0.211256 0.000000 Mg\n0.600150 0.399850 0.000000 Mg\n0.799700 0.399850 0.000000 Mg\n0.401527 0.401939 0.000000 Mg\n0.000411 0.401939 0.000000 Mg\n0.202370 0.404739 0.000000 Mg\n0.798959 0.597918 0.000000 Mg\n0.598061 0.598472 0.000000 Mg\n0.000411 0.598472 0.000000 Mg\n0.399517 0.600483 0.000000 Mg\n0.200966 0.600483 0.000000 Mg\n0.004144 0.792888 0.000000 Mg\n0.788744 0.792889 0.000000 Mg\n0.595261 0.797630 0.000000 Mg\n0.202370 0.797631 0.000000 Mg\n0.399517 0.799034 0.000000 Mg\n0.788744 0.995856 0.000000 Mg\n0.207112 0.995856 0.000000 Mg\n0.401527 0.999588 0.000000 Mg\n0.598061 0.999589 0.000000 Mg\n0.869106 0.130893 0.163969 Mg\n0.261788 0.130894 0.163969 Mg\n0.869106 0.738213 0.163969 Mg\n0.666667 0.333333 0.166198 Mg\n0.667483 0.132707 0.166414 Mg\n0.465223 0.132707 0.166414 Mg\n0.867293 0.332517 0.166414 Mg\n0.465223 0.332517 0.166414 Mg\n0.667483 0.534777 0.166414 Mg\n0.867293 0.534777 0.166414 Mg\n0.267308 0.534617 0.167538 Mg\n0.465382 0.732691 0.167538 Mg\n0.267308 0.732691 0.167538 Mg\n0.066758 0.533379 0.167622 Mg\n0.466621 0.533379 0.167622 Mg\n0.466621 0.933242 0.167622 Mg\n0.268886 0.337036 0.168164 Mg\n0.068151 0.337037 0.168164 Mg\n0.662963 0.731114 0.168164 Mg\n0.068151 0.731114 0.168164 Mg\n0.268886 0.931849 0.168164 Mg\n0.662963 0.931849 0.168164 Mg\n0.070013 0.140026 0.174404 Mg\n0.859974 0.929987 0.174404 Mg\n0.070013 0.929987 0.174404 Mg\n0.399830 0.199915 0.332595 Mg\n0.800085 0.199915 0.332595 Mg\n0.800085 0.600170 0.332595 Mg\n0.600087 0.200173 0.332845 Mg\n0.799826 0.399913 0.332845 Mg\n0.600087 0.399913 0.332845 Mg\n0.200063 0.600031 0.333839 Mg\n0.399968 0.600031 0.333839 Mg\n0.399968 0.799937 0.333839 Mg\n0.400696 0.000248 0.333882 Mg\n0.599552 0.000248 0.333882 Mg\n0.999752 0.400448 0.333882 Mg\n0.400696 0.400448 0.333882 Mg\n0.599552 0.599304 0.333882 Mg\n0.999752 0.599304 0.333882 Mg\n0.200227 0.400453 0.334147 Mg\n0.599547 0.799773 0.334147 Mg\n0.200227 0.799773 0.334147 Mg\n0.000000 0.000000 0.334692 Mg\n0.201462 0.000460 0.334818 Mg\n0.798998 0.000460 0.334818 Mg\n0.999540 0.201002 0.334818 Mg\n0.201462 0.201003 0.334818 Mg\n0.798998 0.798538 0.334818 Mg\n0.999540 0.798538 0.334818 Mg\n0.066778 0.133555 0.500000 Mg\n0.267165 0.133582 0.500000 Mg\n0.866418 0.133583 0.500000 Mg\n0.667112 0.134221 0.500000 Mg\n0.467109 0.134221 0.500000 Mg\n0.467109 0.332888 0.500000 Mg\n0.865778 0.332888 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066896 0.333910 0.500000 Mg\n0.267015 0.333911 0.500000 Mg\n0.865778 0.532891 0.500000 Mg\n0.667112 0.532891 0.500000 Mg\n0.466824 0.533175 0.500000 Mg\n0.066351 0.533175 0.500000 Mg\n0.266788 0.533576 0.500000 Mg\n0.866418 0.732835 0.500000 Mg\n0.066896 0.732985 0.500000 Mg\n0.666090 0.732985 0.500000 Mg\n0.466424 0.733212 0.500000 Mg\n0.266788 0.733212 0.500000 Mg\n0.267015 0.933104 0.500000 Mg\n0.666090 0.933104 0.500000 Mg\n0.866445 0.933222 0.500000 Mg\n0.066778 0.933222 0.500000 Mg\n0.466824 0.933649 0.500000 Mg\n0.201462 0.000460 0.665182 Mg\n0.798998 0.000460 0.665182 Mg\n0.999540 0.201002 0.665182 Mg\n0.201462 0.201003 0.665182 Mg\n0.798998 0.798538 0.665182 Mg\n0.999540 0.798538 0.665182 Mg\n0.000000 0.000000 0.665308 Mg\n0.200227 0.400453 0.665853 Mg\n0.599547 0.799773 0.665853 Mg\n0.200227 0.799773 0.665853 Mg\n0.400696 0.000248 0.666118 Mg\n0.599552 0.000248 0.666118 Mg\n0.999752 0.400448 0.666118 Mg\n0.400696 0.400448 0.666118 Mg\n0.599552 0.599304 0.666118 Mg\n0.999752 0.599304 0.666118 Mg\n0.200063 0.600031 0.666161 Mg\n0.399968 0.600031 0.666161 Mg\n0.399968 0.799937 0.666161 Mg\n0.600087 0.200173 0.667154 Mg\n0.799826 0.399913 0.667154 Mg\n0.600087 0.399913 0.667154 Mg\n0.399830 0.199915 0.667405 Mg\n0.800085 0.199915 0.667405 Mg\n0.800085 0.600170 0.667405 Mg\n0.070013 0.140026 0.825596 Mg\n0.859974 0.929987 0.825596 Mg\n0.070013 0.929987 0.825596 Mg\n0.268886 0.337036 0.831836 Mg\n0.068151 0.337037 0.831836 Mg\n0.662963 0.731114 0.831836 Mg\n0.068151 0.731114 0.831836 Mg\n0.268886 0.931849 0.831836 Mg\n0.662963 0.931849 0.831836 Mg\n0.066758 0.533379 0.832378 Mg\n0.466621 0.533379 0.832378 Mg\n0.466621 0.933242 0.832378 Mg\n0.267308 0.534617 0.832462 Mg\n0.465382 0.732691 0.832462 Mg\n0.267308 0.732691 0.832462 Mg\n0.667483 0.132707 0.833585 Mg\n0.465223 0.132707 0.833585 Mg\n0.867293 0.332517 0.833585 Mg\n0.465223 0.332517 0.833585 Mg\n0.667483 0.534777 0.833585 Mg\n0.867293 0.534777 0.833585 Mg\n0.666667 0.333333 0.833802 Mg\n0.869106 0.130893 0.836032 Mg\n0.261788 0.130894 0.836032 Mg\n0.869106 0.738213 0.836032 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ac",
"Mg"
],
"chemical_system": "Ac-Mg",
"density": 1.8451179777711153,
"density_atomic": 0.043309285379357604,
"volume": 3463.4605185957216,
"volume_molar": 13.904964506457357,
"formula_full": "Ac1 Mg149",
"formula_reduced": "AcMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0045959014444412,
"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
},
{
"id": "oqmd-31769",
"created_at": "2022-09-04T14:49:00.955879Z",
"updated_at": "2022-09-04T14:49:00.955902Z",
"structure_string": "Rb1 Mg149\n1.0\n13.836445 -7.988479 0.000000\n0.000000 15.976958 0.000000\n0.000000 0.000000 15.675066\nMg Rb\n149 1\ndirect\n0.600407 0.200815 0.000000 Mg\n0.798960 0.201039 0.000000 Mg\n0.402079 0.201040 0.000000 Mg\n0.002318 0.212249 0.000000 Mg\n0.209932 0.212249 0.000000 Mg\n0.600407 0.399592 0.000000 Mg\n0.799185 0.399593 0.000000 Mg\n0.000533 0.403012 0.000000 Mg\n0.402479 0.403013 0.000000 Mg\n0.201954 0.403909 0.000000 Mg\n0.596987 0.597521 0.000000 Mg\n0.000533 0.597521 0.000000 Mg\n0.798960 0.597921 0.000000 Mg\n0.399429 0.600571 0.000000 Mg\n0.201141 0.600571 0.000000 Mg\n0.002318 0.790068 0.000000 Mg\n0.787751 0.790068 0.000000 Mg\n0.201954 0.798045 0.000000 Mg\n0.596091 0.798046 0.000000 Mg\n0.399429 0.798859 0.000000 Mg\n0.787751 0.997682 0.000000 Mg\n0.209932 0.997683 0.000000 Mg\n0.596987 0.999466 0.000000 Mg\n0.402479 0.999467 0.000000 Mg\n0.263208 0.131604 0.165188 Mg\n0.868396 0.131604 0.165188 Mg\n0.868396 0.736792 0.165188 Mg\n0.666667 0.333333 0.166326 Mg\n0.465805 0.132941 0.166473 Mg\n0.667137 0.132942 0.166473 Mg\n0.867058 0.332863 0.166473 Mg\n0.465805 0.332863 0.166473 Mg\n0.867058 0.534195 0.166473 Mg\n0.667137 0.534196 0.166473 Mg\n0.267168 0.534336 0.167358 Mg\n0.465664 0.732832 0.167358 Mg\n0.267168 0.732832 0.167358 Mg\n0.466569 0.533431 0.167773 Mg\n0.066863 0.533431 0.167773 Mg\n0.466569 0.933137 0.167773 Mg\n0.268719 0.336363 0.168012 Mg\n0.067645 0.336364 0.168012 Mg\n0.663637 0.731281 0.168012 Mg\n0.067645 0.731281 0.168012 Mg\n0.268719 0.932355 0.168012 Mg\n0.663637 0.932355 0.168012 Mg\n0.070470 0.140940 0.175644 Mg\n0.070470 0.929530 0.175644 Mg\n0.859060 0.929530 0.175644 Mg\n0.400066 0.200033 0.332697 Mg\n0.799967 0.200033 0.332697 Mg\n0.799967 0.599934 0.332697 Mg\n0.600086 0.200173 0.333012 Mg\n0.600086 0.399913 0.333012 Mg\n0.799827 0.399913 0.333012 Mg\n0.399996 0.600004 0.333764 Mg\n0.200008 0.600004 0.333764 Mg\n0.399996 0.799992 0.333764 Mg\n0.200084 0.400167 0.333870 Mg\n0.200084 0.799916 0.333870 Mg\n0.599833 0.799916 0.333870 Mg\n0.599517 0.000255 0.333905 Mg\n0.400738 0.000255 0.333905 Mg\n0.999745 0.400483 0.333905 Mg\n0.400738 0.400483 0.333905 Mg\n0.999745 0.599262 0.333905 Mg\n0.599517 0.599262 0.333905 Mg\n0.000000 0.000000 0.333988 Mg\n0.201718 0.000578 0.335528 Mg\n0.798860 0.000578 0.335528 Mg\n0.201718 0.201140 0.335528 Mg\n0.999422 0.201140 0.335528 Mg\n0.999422 0.798282 0.335528 Mg\n0.798860 0.798282 0.335528 Mg\n0.066721 0.133441 0.500000 Mg\n0.866294 0.133706 0.500000 Mg\n0.267412 0.133706 0.500000 Mg\n0.666918 0.133932 0.500000 Mg\n0.467014 0.133932 0.500000 Mg\n0.467014 0.333082 0.500000 Mg\n0.866069 0.333082 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.267017 0.334103 0.500000 Mg\n0.067086 0.334103 0.500000 Mg\n0.666918 0.532986 0.500000 Mg\n0.866069 0.532986 0.500000 Mg\n0.066661 0.533331 0.500000 Mg\n0.466670 0.533331 0.500000 Mg\n0.266857 0.533713 0.500000 Mg\n0.866294 0.732588 0.500000 Mg\n0.665897 0.732983 0.500000 Mg\n0.067086 0.732983 0.500000 Mg\n0.466287 0.733143 0.500000 Mg\n0.266857 0.733144 0.500000 Mg\n0.267017 0.932914 0.500000 Mg\n0.665897 0.932915 0.500000 Mg\n0.066721 0.933279 0.500000 Mg\n0.866559 0.933279 0.500000 Mg\n0.466670 0.933339 0.500000 Mg\n0.201718 0.000578 0.664472 Mg\n0.798860 0.000578 0.664472 Mg\n0.201718 0.201140 0.664472 Mg\n0.999422 0.201140 0.664472 Mg\n0.999422 0.798282 0.664472 Mg\n0.798860 0.798282 0.664472 Mg\n0.000000 0.000000 0.666013 Mg\n0.599517 0.000255 0.666095 Mg\n0.400738 0.000255 0.666095 Mg\n0.999745 0.400483 0.666095 Mg\n0.400738 0.400483 0.666095 Mg\n0.999745 0.599262 0.666095 Mg\n0.599517 0.599262 0.666095 Mg\n0.200084 0.400167 0.666130 Mg\n0.200084 0.799916 0.666130 Mg\n0.599833 0.799916 0.666130 Mg\n0.399996 0.600004 0.666235 Mg\n0.200008 0.600004 0.666235 Mg\n0.399996 0.799992 0.666235 Mg\n0.600086 0.200173 0.666988 Mg\n0.600086 0.399913 0.666988 Mg\n0.799827 0.399913 0.666988 Mg\n0.400066 0.200033 0.667304 Mg\n0.799967 0.200033 0.667304 Mg\n0.799967 0.599934 0.667304 Mg\n0.070470 0.140940 0.824356 Mg\n0.070470 0.929530 0.824356 Mg\n0.859060 0.929530 0.824356 Mg\n0.268719 0.336363 0.831988 Mg\n0.067645 0.336364 0.831988 Mg\n0.663637 0.731281 0.831988 Mg\n0.067645 0.731281 0.831988 Mg\n0.268719 0.932355 0.831988 Mg\n0.663637 0.932355 0.831988 Mg\n0.466569 0.533431 0.832227 Mg\n0.066863 0.533431 0.832227 Mg\n0.466569 0.933137 0.832227 Mg\n0.267168 0.534336 0.832643 Mg\n0.465664 0.732832 0.832643 Mg\n0.267168 0.732832 0.832643 Mg\n0.465805 0.132941 0.833528 Mg\n0.667137 0.132942 0.833528 Mg\n0.867058 0.332863 0.833528 Mg\n0.465805 0.332863 0.833528 Mg\n0.867058 0.534195 0.833528 Mg\n0.667137 0.534196 0.833528 Mg\n0.666667 0.333333 0.833674 Mg\n0.263208 0.131604 0.834812 Mg\n0.868396 0.131604 0.834812 Mg\n0.868396 0.736792 0.834812 Mg\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
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"density": 2.6167993732871224,
"density_atomic": 0.07868312107519293,
"volume": 1830.125674125045,
"volume_molar": 7.653662790327021,
"formula_full": "Si48 O96",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
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},
{
"id": "oqmd-711449",
"created_at": "2022-09-04T15:20:04.657179Z",
"updated_at": "2022-09-04T15:20:04.657200Z",
"structure_string": "Na16 B48 O80\n1.0\n8.418536 0.000000 0.000000\n0.000000 7.752449 0.000000\n0.000000 0.000000 18.011661\nB Na O\n48 16 80\ndirect\n0.248098 0.580414 0.006853 B\n0.248098 0.919586 0.006853 B\n0.613311 0.579453 0.112746 B\n0.613311 0.920547 0.112746 B\n0.094158 0.076151 0.113927 B\n0.094158 0.423848 0.113927 B\n0.383289 0.078024 0.173688 B\n0.383289 0.421975 0.173688 B\n0.889383 0.581183 0.192033 B\n0.889383 0.918817 0.192033 B\n0.632883 0.080068 0.245532 B\n0.632883 0.419933 0.245532 B\n0.132883 0.080068 0.254468 B\n0.132883 0.419933 0.254468 B\n0.389384 0.581183 0.307967 B\n0.389384 0.918817 0.307967 B\n0.883289 0.078024 0.326312 B\n0.883289 0.421975 0.326312 B\n0.594158 0.076151 0.386074 B\n0.594158 0.423848 0.386074 B\n0.113311 0.579453 0.387254 B\n0.113311 0.920547 0.387254 B\n0.748098 0.580414 0.493147 B\n0.748098 0.919586 0.493147 B\n0.251901 0.080415 0.506853 B\n0.251901 0.419586 0.506853 B\n0.886690 0.079454 0.612746 B\n0.886690 0.420547 0.612746 B\n0.405841 0.576151 0.613927 B\n0.405841 0.923849 0.613927 B\n0.116712 0.578025 0.673688 B\n0.116712 0.921974 0.673688 B\n0.610617 0.081182 0.692033 B\n0.610617 0.418817 0.692033 B\n0.867116 0.580067 0.745532 B\n0.867116 0.919933 0.745532 B\n0.367116 0.580067 0.754468 B\n0.367116 0.919933 0.754468 B\n0.110617 0.081182 0.807967 B\n0.110617 0.418817 0.807967 B\n0.616712 0.578025 0.826312 B\n0.616712 0.921974 0.826312 B\n0.905842 0.576151 0.886074 B\n0.905842 0.923849 0.886074 B\n0.386690 0.079454 0.887254 B\n0.386690 0.420547 0.887254 B\n0.751903 0.080415 0.993147 B\n0.751903 0.419586 0.993147 B\n0.437638 0.250000 0.029928 Na\n0.920165 0.749999 0.036953 Na\n0.790871 0.250000 0.125174 Na\n0.258180 0.749999 0.162926 Na\n0.758179 0.749999 0.337074 Na\n0.290870 0.250000 0.374826 Na\n0.420166 0.749999 0.463046 Na\n0.937637 0.250000 0.470072 Na\n0.062364 0.749999 0.529929 Na\n0.579835 0.250000 0.536953 Na\n0.709129 0.749999 0.625174 Na\n0.241820 0.250000 0.662926 Na\n0.741821 0.250000 0.837074 Na\n0.209129 0.749999 0.874826 Na\n0.079835 0.250000 0.963046 Na\n0.562363 0.749999 0.970072 Na\n0.210165 0.749999 0.029430 O\n0.182704 0.053191 0.044811 O\n0.182704 0.446808 0.044811 O\n0.660645 0.055281 0.054370 O\n0.660645 0.444720 0.054370 O\n0.656871 0.749999 0.087698 O\n0.041557 0.250000 0.118537 O\n0.964712 0.544734 0.122304 O\n0.964712 0.955267 0.122304 O\n0.447963 0.551642 0.125042 O\n0.447963 0.948358 0.125042 O\n0.403785 0.250000 0.148976 O\n0.207129 0.032181 0.181992 O\n0.207129 0.467821 0.181992 O\n0.707300 0.535138 0.186011 O\n0.707300 0.964862 0.186011 O\n0.907426 0.749999 0.221194 O\n0.668373 0.250000 0.226579 O\n0.957106 0.048230 0.249342 O\n0.957106 0.451769 0.249342 O\n0.457106 0.048230 0.250658 O\n0.457106 0.451769 0.250658 O\n0.168371 0.250000 0.273421 O\n0.407425 0.749999 0.278806 O\n0.207300 0.535138 0.313990 O\n0.207300 0.964862 0.313990 O\n0.707129 0.032181 0.318008 O\n0.707129 0.467821 0.318008 O\n0.903785 0.250000 0.351024 O\n0.947963 0.551642 0.374958 O\n0.947963 0.948358 0.374958 O\n0.464713 0.544734 0.377696 O\n0.464713 0.955267 0.377696 O\n0.541559 0.250000 0.381463 O\n0.156871 0.749999 0.412302 O\n0.160644 0.055281 0.445630 O\n0.160644 0.444720 0.445630 O\n0.682703 0.053191 0.455189 O\n0.682703 0.446808 0.455189 O\n0.710165 0.749999 0.470570 O\n0.289834 0.250000 0.529430 O\n0.317297 0.553192 0.544811 O\n0.317297 0.946808 0.544811 O\n0.839356 0.555280 0.554371 O\n0.839356 0.944720 0.554371 O\n0.843130 0.250000 0.587698 O\n0.458443 0.749999 0.618537 O\n0.535289 0.044733 0.622304 O\n0.535289 0.455268 0.622304 O\n0.052036 0.051643 0.625043 O\n0.052036 0.448359 0.625043 O\n0.096215 0.749999 0.648976 O\n0.292870 0.532180 0.681992 O\n0.292870 0.967821 0.681992 O\n0.792700 0.035139 0.686011 O\n0.792700 0.464862 0.686011 O\n0.592575 0.250000 0.721194 O\n0.831628 0.749999 0.726578 O\n0.542894 0.548231 0.749342 O\n0.542894 0.951769 0.749342 O\n0.042895 0.548231 0.750658 O\n0.042895 0.951769 0.750658 O\n0.331628 0.749999 0.773421 O\n0.092574 0.250000 0.778805 O\n0.292699 0.035139 0.813990 O\n0.292699 0.464862 0.813990 O\n0.792872 0.532180 0.818008 O\n0.792872 0.967821 0.818008 O\n0.596215 0.749999 0.851024 O\n0.552037 0.051643 0.874958 O\n0.552037 0.448359 0.874958 O\n0.035289 0.044733 0.877696 O\n0.035289 0.455268 0.877696 O\n0.958442 0.749999 0.881463 O\n0.343130 0.250000 0.912302 O\n0.339356 0.555280 0.945630 O\n0.339356 0.944720 0.945630 O\n0.817298 0.553192 0.955189 O\n0.817298 0.946808 0.955189 O\n0.789834 0.250000 0.970570 O\n",
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"elements": [
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"Na",
"O"
],
"chemical_system": "B-Na-O",
"density": 3.060707966484253,
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"volume": 1175.5179245680208,
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"formula_full": "Na16 B48 O80",
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"spacegroup": 62
}
]
}