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{
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{
"id": "oqmd-31780",
"created_at": "2022-09-04T14:49:02.168668Z",
"updated_at": "2022-09-04T14:49:02.168702Z",
"structure_string": "Sr1 Mg149\n1.0\n13.826096 -7.982504 0.000000\n0.000000 15.965007 0.000000\n0.000000 0.000000 15.660999\nMg Sr\n149 1\ndirect\n0.600151 0.200303 0.000000 Mg\n0.401603 0.200801 0.000000 Mg\n0.799199 0.200802 0.000000 Mg\n0.003315 0.209915 0.000000 Mg\n0.206601 0.209915 0.000000 Mg\n0.600151 0.399848 0.000000 Mg\n0.799697 0.399849 0.000000 Mg\n0.000331 0.401913 0.000000 Mg\n0.401583 0.401914 0.000000 Mg\n0.202052 0.404104 0.000000 Mg\n0.799199 0.598397 0.000000 Mg\n0.598086 0.598417 0.000000 Mg\n0.000331 0.598417 0.000000 Mg\n0.200778 0.600389 0.000000 Mg\n0.399612 0.600389 0.000000 Mg\n0.790085 0.793399 0.000000 Mg\n0.003315 0.793400 0.000000 Mg\n0.595896 0.797948 0.000000 Mg\n0.202052 0.797948 0.000000 Mg\n0.399612 0.799223 0.000000 Mg\n0.790085 0.996685 0.000000 Mg\n0.206601 0.996685 0.000000 Mg\n0.401583 0.999669 0.000000 Mg\n0.598086 0.999669 0.000000 Mg\n0.262897 0.131449 0.164573 Mg\n0.868552 0.131449 0.164573 Mg\n0.868552 0.737103 0.164573 Mg\n0.666667 0.333333 0.166313 Mg\n0.667295 0.132862 0.166569 Mg\n0.465567 0.132862 0.166569 Mg\n0.465567 0.332705 0.166569 Mg\n0.867138 0.332706 0.166569 Mg\n0.667295 0.534433 0.166569 Mg\n0.867138 0.534433 0.166569 Mg\n0.267188 0.534376 0.167427 Mg\n0.465624 0.732812 0.167427 Mg\n0.267188 0.732812 0.167427 Mg\n0.066673 0.533336 0.167475 Mg\n0.466663 0.533336 0.167475 Mg\n0.466663 0.933326 0.167475 Mg\n0.268537 0.336432 0.168059 Mg\n0.067895 0.336432 0.168059 Mg\n0.067895 0.731463 0.168059 Mg\n0.663568 0.731463 0.168059 Mg\n0.268537 0.932105 0.168059 Mg\n0.663568 0.932105 0.168059 Mg\n0.069545 0.139090 0.173460 Mg\n0.860910 0.930455 0.173460 Mg\n0.069545 0.930455 0.173460 Mg\n0.399882 0.199941 0.332794 Mg\n0.800059 0.199941 0.332794 Mg\n0.800059 0.600118 0.332794 Mg\n0.600075 0.200149 0.332997 Mg\n0.799851 0.399926 0.332997 Mg\n0.600075 0.399926 0.332997 Mg\n0.200020 0.600010 0.333794 Mg\n0.399990 0.600010 0.333794 Mg\n0.399990 0.799980 0.333794 Mg\n0.599606 0.000215 0.333866 Mg\n0.400609 0.000215 0.333866 Mg\n0.999785 0.400394 0.333866 Mg\n0.400609 0.400394 0.333866 Mg\n0.999785 0.599391 0.333866 Mg\n0.599606 0.599391 0.333866 Mg\n0.200230 0.400460 0.334085 Mg\n0.599540 0.799770 0.334085 Mg\n0.200230 0.799770 0.334085 Mg\n0.000000 0.000000 0.334486 Mg\n0.799080 0.000400 0.334721 Mg\n0.201320 0.000401 0.334721 Mg\n0.201320 0.200919 0.334721 Mg\n0.999600 0.200920 0.334721 Mg\n0.999600 0.798680 0.334721 Mg\n0.799080 0.798680 0.334721 Mg\n0.066787 0.133573 0.500000 Mg\n0.866422 0.133578 0.500000 Mg\n0.267156 0.133578 0.500000 Mg\n0.666961 0.134008 0.500000 Mg\n0.467047 0.134008 0.500000 Mg\n0.467047 0.333038 0.500000 Mg\n0.865992 0.333039 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066900 0.333872 0.500000 Mg\n0.266973 0.333872 0.500000 Mg\n0.666961 0.532953 0.500000 Mg\n0.865992 0.532953 0.500000 Mg\n0.066538 0.533269 0.500000 Mg\n0.466731 0.533269 0.500000 Mg\n0.266839 0.533678 0.500000 Mg\n0.866422 0.732844 0.500000 Mg\n0.666127 0.733027 0.500000 Mg\n0.066900 0.733027 0.500000 Mg\n0.466322 0.733161 0.500000 Mg\n0.266839 0.733161 0.500000 Mg\n0.666127 0.933100 0.500000 Mg\n0.266973 0.933101 0.500000 Mg\n0.866427 0.933213 0.500000 Mg\n0.066787 0.933213 0.500000 Mg\n0.466731 0.933462 0.500000 Mg\n0.799080 0.000400 0.665279 Mg\n0.201320 0.000401 0.665279 Mg\n0.201320 0.200919 0.665279 Mg\n0.999600 0.200920 0.665279 Mg\n0.999600 0.798680 0.665279 Mg\n0.799080 0.798680 0.665279 Mg\n0.000000 0.000000 0.665514 Mg\n0.200230 0.400460 0.665915 Mg\n0.599540 0.799770 0.665915 Mg\n0.200230 0.799770 0.665915 Mg\n0.599606 0.000215 0.666134 Mg\n0.400609 0.000215 0.666134 Mg\n0.999785 0.400394 0.666134 Mg\n0.400609 0.400394 0.666134 Mg\n0.999785 0.599391 0.666134 Mg\n0.599606 0.599391 0.666134 Mg\n0.200020 0.600010 0.666207 Mg\n0.399990 0.600010 0.666207 Mg\n0.399990 0.799980 0.666207 Mg\n0.600075 0.200149 0.667003 Mg\n0.799851 0.399926 0.667003 Mg\n0.600075 0.399926 0.667003 Mg\n0.399882 0.199941 0.667206 Mg\n0.800059 0.199941 0.667206 Mg\n0.800059 0.600118 0.667206 Mg\n0.069545 0.139090 0.826541 Mg\n0.860910 0.930455 0.826541 Mg\n0.069545 0.930455 0.826541 Mg\n0.268537 0.336432 0.831941 Mg\n0.067895 0.336432 0.831941 Mg\n0.067895 0.731463 0.831941 Mg\n0.663568 0.731463 0.831941 Mg\n0.268537 0.932105 0.831941 Mg\n0.663568 0.932105 0.831941 Mg\n0.066673 0.533336 0.832525 Mg\n0.466663 0.533336 0.832525 Mg\n0.466663 0.933326 0.832525 Mg\n0.267188 0.534376 0.832573 Mg\n0.465624 0.732812 0.832573 Mg\n0.267188 0.732812 0.832573 Mg\n0.667295 0.132862 0.833432 Mg\n0.465567 0.132862 0.833432 Mg\n0.465567 0.332705 0.833432 Mg\n0.867138 0.332706 0.833432 Mg\n0.667295 0.534433 0.833432 Mg\n0.867138 0.534433 0.833432 Mg\n0.666667 0.333333 0.833688 Mg\n0.262897 0.131449 0.835427 Mg\n0.868552 0.131449 0.835427 Mg\n0.868552 0.737103 0.835427 Mg\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Sr"
],
"chemical_system": "Mg-Sr",
"density": 1.7816623333704362,
"density_atomic": 0.04339134537432481,
"volume": 3456.9105591447465,
"volume_molar": 13.87866798793331,
"formula_full": "Sr1 Mg149",
"formula_reduced": "SrMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0038008336277744,
"spacegroup": 187
},
{
"id": "oqmd-31733",
"created_at": "2022-09-04T14:49:02.035451Z",
"updated_at": "2022-09-04T14:49:02.035462Z",
"structure_string": "Eu1 Mg149\n1.0\n13.821064 -7.979599 0.000000\n0.000000 15.959196 0.000000\n0.000000 0.000000 15.660845\nEu Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Eu\n0.600112 0.200225 0.000000 Mg\n0.401310 0.200655 0.000000 Mg\n0.799345 0.200655 0.000000 Mg\n0.204906 0.208173 0.000000 Mg\n0.003267 0.208174 0.000000 Mg\n0.600112 0.399887 0.000000 Mg\n0.799775 0.399887 0.000000 Mg\n0.000309 0.401373 0.000000 Mg\n0.401064 0.401373 0.000000 Mg\n0.201886 0.403772 0.000000 Mg\n0.799345 0.598690 0.000000 Mg\n0.000309 0.598937 0.000000 Mg\n0.598628 0.598937 0.000000 Mg\n0.200757 0.600379 0.000000 Mg\n0.399621 0.600379 0.000000 Mg\n0.791827 0.795094 0.000000 Mg\n0.003267 0.795094 0.000000 Mg\n0.201886 0.798114 0.000000 Mg\n0.596228 0.798114 0.000000 Mg\n0.399621 0.799242 0.000000 Mg\n0.204906 0.996732 0.000000 Mg\n0.791827 0.996733 0.000000 Mg\n0.598628 0.999691 0.000000 Mg\n0.401064 0.999691 0.000000 Mg\n0.868593 0.131407 0.164505 Mg\n0.262813 0.131407 0.164505 Mg\n0.868593 0.737187 0.164505 Mg\n0.666666 0.333333 0.166268 Mg\n0.465488 0.132827 0.166547 Mg\n0.667339 0.132828 0.166547 Mg\n0.465488 0.332661 0.166547 Mg\n0.867173 0.332661 0.166547 Mg\n0.667339 0.534512 0.166547 Mg\n0.867173 0.534512 0.166547 Mg\n0.267168 0.534337 0.167378 Mg\n0.267168 0.732831 0.167378 Mg\n0.465662 0.732831 0.167378 Mg\n0.466680 0.533320 0.167414 Mg\n0.066640 0.533320 0.167414 Mg\n0.466680 0.933359 0.167414 Mg\n0.268300 0.336196 0.167939 Mg\n0.067896 0.336196 0.167939 Mg\n0.067896 0.731700 0.167939 Mg\n0.663804 0.731700 0.167939 Mg\n0.268300 0.932104 0.167939 Mg\n0.663804 0.932104 0.167939 Mg\n0.068964 0.137929 0.172107 Mg\n0.862070 0.931035 0.172107 Mg\n0.068964 0.931035 0.172107 Mg\n0.800099 0.199900 0.332758 Mg\n0.399801 0.199901 0.332758 Mg\n0.800099 0.600199 0.332758 Mg\n0.600071 0.200143 0.332971 Mg\n0.600071 0.399928 0.332971 Mg\n0.799857 0.399929 0.332971 Mg\n0.200022 0.600011 0.333757 Mg\n0.399989 0.600011 0.333757 Mg\n0.399989 0.799979 0.333757 Mg\n0.400584 0.000202 0.333833 Mg\n0.599618 0.000203 0.333833 Mg\n0.400584 0.400382 0.333833 Mg\n0.999798 0.400382 0.333833 Mg\n0.599618 0.599416 0.333833 Mg\n0.999798 0.599416 0.333833 Mg\n0.200245 0.400490 0.334087 Mg\n0.200245 0.799754 0.334087 Mg\n0.599509 0.799755 0.334087 Mg\n0.000000 0.000000 0.334232 Mg\n0.201087 0.000254 0.334391 Mg\n0.799167 0.000255 0.334391 Mg\n0.201087 0.200833 0.334391 Mg\n0.999746 0.200833 0.334391 Mg\n0.999746 0.798912 0.334391 Mg\n0.799167 0.798913 0.334391 Mg\n0.866437 0.133563 0.500000 Mg\n0.267126 0.133563 0.500000 Mg\n0.066787 0.133575 0.500000 Mg\n0.666973 0.134049 0.500000 Mg\n0.467076 0.134049 0.500000 Mg\n0.865951 0.333027 0.500000 Mg\n0.467076 0.333027 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066888 0.333839 0.500000 Mg\n0.266951 0.333839 0.500000 Mg\n0.666973 0.532924 0.500000 Mg\n0.865951 0.532924 0.500000 Mg\n0.466730 0.533269 0.500000 Mg\n0.066539 0.533270 0.500000 Mg\n0.266828 0.533655 0.500000 Mg\n0.866437 0.732874 0.500000 Mg\n0.066888 0.733049 0.500000 Mg\n0.666161 0.733049 0.500000 Mg\n0.466345 0.733173 0.500000 Mg\n0.266828 0.733173 0.500000 Mg\n0.266951 0.933112 0.500000 Mg\n0.666161 0.933112 0.500000 Mg\n0.066787 0.933212 0.500000 Mg\n0.866425 0.933213 0.500000 Mg\n0.466730 0.933461 0.500000 Mg\n0.201087 0.000254 0.665609 Mg\n0.799167 0.000255 0.665609 Mg\n0.201087 0.200833 0.665609 Mg\n0.999746 0.200833 0.665609 Mg\n0.999746 0.798912 0.665609 Mg\n0.799167 0.798913 0.665609 Mg\n0.000000 0.000000 0.665768 Mg\n0.200245 0.400490 0.665914 Mg\n0.200245 0.799754 0.665914 Mg\n0.599509 0.799755 0.665914 Mg\n0.400584 0.000202 0.666168 Mg\n0.599618 0.000203 0.666168 Mg\n0.400584 0.400382 0.666168 Mg\n0.999798 0.400382 0.666168 Mg\n0.599618 0.599416 0.666168 Mg\n0.999798 0.599416 0.666168 Mg\n0.200022 0.600011 0.666243 Mg\n0.399989 0.600011 0.666243 Mg\n0.399989 0.799979 0.666243 Mg\n0.600071 0.200143 0.667029 Mg\n0.600071 0.399928 0.667029 Mg\n0.799857 0.399929 0.667029 Mg\n0.800099 0.199900 0.667242 Mg\n0.399801 0.199901 0.667242 Mg\n0.800099 0.600199 0.667242 Mg\n0.068964 0.137929 0.827893 Mg\n0.862070 0.931035 0.827893 Mg\n0.068964 0.931035 0.827893 Mg\n0.268300 0.336196 0.832061 Mg\n0.067896 0.336196 0.832061 Mg\n0.067896 0.731700 0.832061 Mg\n0.663804 0.731700 0.832061 Mg\n0.268300 0.932104 0.832061 Mg\n0.663804 0.932104 0.832061 Mg\n0.466680 0.533320 0.832587 Mg\n0.066640 0.533320 0.832587 Mg\n0.466680 0.933359 0.832587 Mg\n0.267168 0.534337 0.832622 Mg\n0.267168 0.732831 0.832622 Mg\n0.465662 0.732831 0.832622 Mg\n0.465488 0.132827 0.833453 Mg\n0.667339 0.132828 0.833453 Mg\n0.465488 0.332661 0.833453 Mg\n0.867173 0.332661 0.833453 Mg\n0.667339 0.534512 0.833453 Mg\n0.867173 0.534512 0.833453 Mg\n0.666666 0.333333 0.833732 Mg\n0.868593 0.131407 0.835495 Mg\n0.262813 0.131407 0.835495 Mg\n0.868593 0.737187 0.835495 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Eu",
"Mg"
],
"chemical_system": "Eu-Mg",
"density": 1.8139081857510624,
"density_atomic": 0.04342337561638862,
"volume": 3454.3606495527215,
"volume_molar": 13.868430711607678,
"formula_full": "Eu1 Mg149",
"formula_reduced": "EuMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0019507778944409,
"spacegroup": 187
},
{
"id": "oqmd-31792",
"created_at": "2022-09-04T14:49:02.124352Z",
"updated_at": "2022-09-04T14:49:02.124390Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Y"
],
"chemical_system": "Mg-Y",
"density": 1.7892840412023687,
"density_atomic": 0.043561865690407785,
"volume": 3443.3786896558386,
"volume_molar": 13.824340772727878,
"formula_full": "Y1 Mg149",
"formula_reduced": "YMg149",
"formula_anonymous": "AB149",
"formation_energy": -0.0003185943388922,
"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",
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"formation_energy": 0.0028936370611078,
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},
{
"id": "oqmd-31738",
"created_at": "2022-09-04T15:15:52.049097Z",
"updated_at": "2022-09-04T15:15:52.049130Z",
"structure_string": "Mg149 Ge1\n1.0\n13.773375 -7.952065 0.000000\n0.000000 15.904130 0.000000\n0.000000 0.000000 15.605995\nGe Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ge\n0.197750 0.001103 0.000000 Mg\n0.803354 0.001103 0.000000 Mg\n0.998897 0.196646 0.000000 Mg\n0.197750 0.196646 0.000000 Mg\n0.399108 0.199554 0.000000 Mg\n0.800446 0.199554 0.000000 Mg\n0.600008 0.200015 0.000000 Mg\n0.198983 0.397966 0.000000 Mg\n0.399626 0.399737 0.000000 Mg\n0.000110 0.399737 0.000000 Mg\n0.600008 0.399992 0.000000 Mg\n0.799985 0.399992 0.000000 Mg\n0.199790 0.599895 0.000000 Mg\n0.400105 0.599895 0.000000 Mg\n0.000110 0.600374 0.000000 Mg\n0.600264 0.600374 0.000000 Mg\n0.800446 0.600892 0.000000 Mg\n0.400105 0.800210 0.000000 Mg\n0.198983 0.801017 0.000000 Mg\n0.602034 0.801017 0.000000 Mg\n0.803354 0.802250 0.000000 Mg\n0.998897 0.802250 0.000000 Mg\n0.399626 0.999890 0.000000 Mg\n0.600264 0.999890 0.000000 Mg\n0.065661 0.131322 0.164473 Mg\n0.065661 0.934339 0.164473 Mg\n0.868678 0.934339 0.164473 Mg\n0.265718 0.331856 0.166053 Mg\n0.066138 0.331856 0.166053 Mg\n0.066138 0.734282 0.166053 Mg\n0.668144 0.734282 0.166053 Mg\n0.265718 0.933862 0.166053 Mg\n0.668144 0.933862 0.166053 Mg\n0.266374 0.532748 0.166371 Mg\n0.266374 0.733626 0.166371 Mg\n0.467252 0.733626 0.166371 Mg\n0.466663 0.533336 0.166417 Mg\n0.066673 0.533337 0.166417 Mg\n0.466663 0.933327 0.166417 Mg\n0.666624 0.133305 0.166421 Mg\n0.466682 0.133306 0.166421 Mg\n0.866695 0.333376 0.166421 Mg\n0.466682 0.333376 0.166421 Mg\n0.666624 0.533318 0.166421 Mg\n0.866695 0.533319 0.166421 Mg\n0.666667 0.333333 0.166436 Mg\n0.267268 0.133634 0.167213 Mg\n0.866366 0.133634 0.167213 Mg\n0.866366 0.732732 0.167213 Mg\n0.000000 0.000000 0.332257 Mg\n0.199855 0.399710 0.332927 Mg\n0.600289 0.800145 0.332927 Mg\n0.199855 0.800145 0.332927 Mg\n0.000161 0.199607 0.333000 Mg\n0.199446 0.199607 0.333000 Mg\n0.800394 0.800554 0.333000 Mg\n0.000161 0.800554 0.333000 Mg\n0.199446 0.999839 0.333000 Mg\n0.800394 0.999839 0.333000 Mg\n0.000000 0.399737 0.333074 Mg\n0.399718 0.399737 0.333074 Mg\n0.600263 0.600283 0.333074 Mg\n0.000000 0.600283 0.333074 Mg\n0.399718 0.000000 0.333074 Mg\n0.600263 0.000000 0.333074 Mg\n0.599981 0.199962 0.333176 Mg\n0.599981 0.400019 0.333176 Mg\n0.800038 0.400019 0.333176 Mg\n0.399826 0.199913 0.333219 Mg\n0.800086 0.199913 0.333219 Mg\n0.800086 0.600173 0.333219 Mg\n0.400001 0.599999 0.333276 Mg\n0.199998 0.599999 0.333276 Mg\n0.400001 0.800002 0.333276 Mg\n0.066544 0.133088 0.500000 Mg\n0.266503 0.133251 0.500000 Mg\n0.866748 0.133252 0.500000 Mg\n0.666566 0.133337 0.500000 Mg\n0.466772 0.133338 0.500000 Mg\n0.066527 0.333023 0.500000 Mg\n0.266497 0.333024 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866663 0.333434 0.500000 Mg\n0.466772 0.333434 0.500000 Mg\n0.666566 0.533228 0.500000 Mg\n0.866663 0.533229 0.500000 Mg\n0.266666 0.533332 0.500000 Mg\n0.466637 0.533363 0.500000 Mg\n0.066726 0.533363 0.500000 Mg\n0.266666 0.733334 0.500000 Mg\n0.466668 0.733335 0.500000 Mg\n0.866748 0.733497 0.500000 Mg\n0.666977 0.733503 0.500000 Mg\n0.066527 0.733504 0.500000 Mg\n0.466637 0.933275 0.500000 Mg\n0.866911 0.933456 0.500000 Mg\n0.066544 0.933456 0.500000 Mg\n0.266497 0.933473 0.500000 Mg\n0.666977 0.933473 0.500000 Mg\n0.400001 0.599999 0.666723 Mg\n0.199998 0.599999 0.666723 Mg\n0.400001 0.800002 0.666723 Mg\n0.399826 0.199913 0.666781 Mg\n0.800086 0.199913 0.666781 Mg\n0.800086 0.600173 0.666781 Mg\n0.599981 0.199962 0.666825 Mg\n0.599981 0.400019 0.666825 Mg\n0.800038 0.400019 0.666825 Mg\n0.000000 0.399737 0.666926 Mg\n0.399718 0.399737 0.666926 Mg\n0.600263 0.600283 0.666926 Mg\n0.000000 0.600283 0.666926 Mg\n0.399718 0.000000 0.666926 Mg\n0.600263 0.000000 0.666926 Mg\n0.000161 0.199607 0.667000 Mg\n0.199446 0.199607 0.667000 Mg\n0.800394 0.800554 0.667000 Mg\n0.000161 0.800554 0.667000 Mg\n0.199446 0.999839 0.667000 Mg\n0.800394 0.999839 0.667000 Mg\n0.199855 0.399710 0.667072 Mg\n0.600289 0.800145 0.667072 Mg\n0.199855 0.800145 0.667072 Mg\n0.000000 0.000000 0.667743 Mg\n0.267268 0.133634 0.832787 Mg\n0.866366 0.133634 0.832787 Mg\n0.866366 0.732732 0.832787 Mg\n0.666667 0.333333 0.833564 Mg\n0.666624 0.133305 0.833580 Mg\n0.466682 0.133306 0.833580 Mg\n0.866695 0.333376 0.833580 Mg\n0.466682 0.333376 0.833580 Mg\n0.666624 0.533318 0.833580 Mg\n0.866695 0.533319 0.833580 Mg\n0.466663 0.533336 0.833582 Mg\n0.066673 0.533337 0.833582 Mg\n0.466663 0.933327 0.833582 Mg\n0.266374 0.532748 0.833630 Mg\n0.266374 0.733626 0.833630 Mg\n0.467252 0.733626 0.833630 Mg\n0.265718 0.331856 0.833946 Mg\n0.066138 0.331856 0.833946 Mg\n0.066138 0.734282 0.833946 Mg\n0.668144 0.734282 0.833946 Mg\n0.265718 0.933862 0.833946 Mg\n0.668144 0.933862 0.833946 Mg\n0.065661 0.131322 0.835528 Mg\n0.065661 0.934339 0.835528 Mg\n0.868678 0.934339 0.835528 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ge",
"Mg"
],
"chemical_system": "Ge-Mg",
"density": 1.794379212260593,
"density_atomic": 0.04387827106083997,
"volume": 3418.5485520159996,
"volume_molar": 13.724653716756354,
"formula_full": "Mg149 Ge1",
"formula_reduced": "Mg149Ge",
"formula_anonymous": "AB149",
"formation_energy": -0.0006212785388923,
"spacegroup": 187
},
{
"id": "oqmd-31715",
"created_at": "2022-09-04T15:15:52.028548Z",
"updated_at": "2022-09-04T15:15:52.028576Z",
"structure_string": "Mg149 As1\n1.0\n13.783001 -7.957623 0.000000\n0.000000 15.915246 0.000000\n0.000000 0.000000 15.604084\nAs Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 As\n0.198228 0.001468 0.000000 Mg\n0.803239 0.001468 0.000000 Mg\n0.198228 0.196760 0.000000 Mg\n0.998532 0.196761 0.000000 Mg\n0.800511 0.199489 0.000000 Mg\n0.398979 0.199490 0.000000 Mg\n0.600059 0.200119 0.000000 Mg\n0.198780 0.397560 0.000000 Mg\n0.799882 0.399941 0.000000 Mg\n0.600059 0.399941 0.000000 Mg\n0.000249 0.400140 0.000000 Mg\n0.399891 0.400140 0.000000 Mg\n0.400054 0.599946 0.000000 Mg\n0.199893 0.599946 0.000000 Mg\n0.599861 0.600109 0.000000 Mg\n0.000249 0.600109 0.000000 Mg\n0.800511 0.601021 0.000000 Mg\n0.400054 0.800107 0.000000 Mg\n0.198780 0.801220 0.000000 Mg\n0.602440 0.801220 0.000000 Mg\n0.803239 0.801771 0.000000 Mg\n0.998532 0.801772 0.000000 Mg\n0.599861 0.999751 0.000000 Mg\n0.399891 0.999752 0.000000 Mg\n0.065725 0.131450 0.164745 Mg\n0.065725 0.934274 0.164745 Mg\n0.868550 0.934275 0.164745 Mg\n0.265614 0.331561 0.165869 Mg\n0.065947 0.331561 0.165869 Mg\n0.668439 0.734386 0.165869 Mg\n0.065947 0.734386 0.165869 Mg\n0.668439 0.934053 0.165869 Mg\n0.265614 0.934053 0.165869 Mg\n0.266267 0.532535 0.166134 Mg\n0.467465 0.733732 0.166134 Mg\n0.266267 0.733733 0.166134 Mg\n0.666625 0.133263 0.166270 Mg\n0.466639 0.133263 0.166270 Mg\n0.866736 0.333375 0.166270 Mg\n0.466639 0.333376 0.166270 Mg\n0.866736 0.533361 0.166270 Mg\n0.666625 0.533361 0.166270 Mg\n0.666667 0.333333 0.166273 Mg\n0.066690 0.533345 0.166365 Mg\n0.466655 0.533345 0.166365 Mg\n0.466655 0.933311 0.166365 Mg\n0.866452 0.133547 0.167282 Mg\n0.267095 0.133547 0.167282 Mg\n0.866452 0.732905 0.167282 Mg\n0.000000 0.000000 0.331593 Mg\n0.199788 0.399577 0.332742 Mg\n0.600424 0.800212 0.332742 Mg\n0.199788 0.800212 0.332742 Mg\n0.399719 0.399759 0.333017 Mg\n0.000000 0.399759 0.333017 Mg\n0.000000 0.600281 0.333017 Mg\n0.600241 0.600281 0.333017 Mg\n0.600241 0.000000 0.333017 Mg\n0.399719 0.000000 0.333017 Mg\n0.599984 0.199968 0.333092 Mg\n0.599984 0.400016 0.333092 Mg\n0.800033 0.400016 0.333092 Mg\n0.399763 0.199881 0.333098 Mg\n0.800119 0.199882 0.333098 Mg\n0.800119 0.600237 0.333098 Mg\n0.199996 0.599998 0.333130 Mg\n0.400002 0.599998 0.333130 Mg\n0.400002 0.800004 0.333130 Mg\n0.199496 0.199647 0.333140 Mg\n0.000151 0.199648 0.333140 Mg\n0.000151 0.800504 0.333140 Mg\n0.800353 0.800504 0.333140 Mg\n0.800353 0.999849 0.333140 Mg\n0.199496 0.999849 0.333140 Mg\n0.066525 0.133050 0.500000 Mg\n0.266548 0.133274 0.500000 Mg\n0.866726 0.133274 0.500000 Mg\n0.466763 0.133313 0.500000 Mg\n0.666550 0.133314 0.500000 Mg\n0.066564 0.333045 0.500000 Mg\n0.266482 0.333046 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866686 0.333450 0.500000 Mg\n0.466763 0.333450 0.500000 Mg\n0.666550 0.533236 0.500000 Mg\n0.866686 0.533237 0.500000 Mg\n0.266676 0.533353 0.500000 Mg\n0.066836 0.533418 0.500000 Mg\n0.466582 0.533418 0.500000 Mg\n0.266676 0.733323 0.500000 Mg\n0.466647 0.733323 0.500000 Mg\n0.866726 0.733452 0.500000 Mg\n0.666954 0.733518 0.500000 Mg\n0.066564 0.733518 0.500000 Mg\n0.466582 0.933164 0.500000 Mg\n0.666954 0.933436 0.500000 Mg\n0.266482 0.933437 0.500000 Mg\n0.866951 0.933475 0.500000 Mg\n0.066525 0.933475 0.500000 Mg\n0.199496 0.199647 0.666859 Mg\n0.000151 0.199648 0.666859 Mg\n0.000151 0.800504 0.666859 Mg\n0.800353 0.800504 0.666859 Mg\n0.800353 0.999849 0.666859 Mg\n0.199496 0.999849 0.666859 Mg\n0.199996 0.599998 0.666870 Mg\n0.400002 0.599998 0.666870 Mg\n0.400002 0.800004 0.666870 Mg\n0.399763 0.199881 0.666902 Mg\n0.800119 0.199882 0.666902 Mg\n0.800119 0.600237 0.666902 Mg\n0.599984 0.199968 0.666908 Mg\n0.599984 0.400016 0.666908 Mg\n0.800033 0.400016 0.666908 Mg\n0.399719 0.399759 0.666984 Mg\n0.000000 0.399759 0.666984 Mg\n0.000000 0.600281 0.666984 Mg\n0.600241 0.600281 0.666984 Mg\n0.600241 0.000000 0.666984 Mg\n0.399719 0.000000 0.666984 Mg\n0.199788 0.399577 0.667258 Mg\n0.600424 0.800212 0.667258 Mg\n0.199788 0.800212 0.667258 Mg\n0.000000 0.000000 0.668407 Mg\n0.866452 0.133547 0.832718 Mg\n0.267095 0.133547 0.832718 Mg\n0.866452 0.732905 0.832718 Mg\n0.066690 0.533345 0.833635 Mg\n0.466655 0.533345 0.833635 Mg\n0.466655 0.933311 0.833635 Mg\n0.666667 0.333333 0.833727 Mg\n0.666625 0.133263 0.833730 Mg\n0.466639 0.133263 0.833730 Mg\n0.866736 0.333375 0.833730 Mg\n0.466639 0.333376 0.833730 Mg\n0.866736 0.533361 0.833730 Mg\n0.666625 0.533361 0.833730 Mg\n0.266267 0.532535 0.833866 Mg\n0.467465 0.733732 0.833866 Mg\n0.266267 0.733733 0.833866 Mg\n0.265614 0.331561 0.834131 Mg\n0.065947 0.331561 0.834131 Mg\n0.668439 0.734386 0.834131 Mg\n0.065947 0.734386 0.834131 Mg\n0.668439 0.934053 0.834131 Mg\n0.265614 0.934053 0.834131 Mg\n0.065725 0.131450 0.835256 Mg\n0.065725 0.934274 0.835256 Mg\n0.868550 0.934275 0.835256 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"As",
"Mg"
],
"chemical_system": "As-Mg",
"density": 1.7931999239004819,
"density_atomic": 0.04382236744164604,
"volume": 3422.9095495522993,
"volume_molar": 13.742162077434761,
"formula_full": "Mg149 As1",
"formula_reduced": "Mg149As",
"formula_anonymous": "AB149",
"formation_energy": -0.0028655752055588,
"spacegroup": 187
},
{
"id": "oqmd-31784",
"created_at": "2022-09-04T14:49:01.232895Z",
"updated_at": "2022-09-04T14:49:01.232936Z",
"structure_string": "Mg149 Te1\n1.0\n13.800831 -7.967917 0.000000\n0.000000 15.935834 0.000000\n0.000000 0.000000 15.640723\nMg Te\n149 1\ndirect\n0.797733 0.001332 0.000000 Mg\n0.203599 0.001332 0.000000 Mg\n0.400392 0.200196 0.000000 Mg\n0.799804 0.200196 0.000000 Mg\n0.600225 0.200451 0.000000 Mg\n0.998668 0.202266 0.000000 Mg\n0.203599 0.202267 0.000000 Mg\n0.199489 0.398978 0.000000 Mg\n0.799549 0.399774 0.000000 Mg\n0.600225 0.399775 0.000000 Mg\n0.000403 0.401504 0.000000 Mg\n0.401101 0.401504 0.000000 Mg\n0.598496 0.598898 0.000000 Mg\n0.000403 0.598899 0.000000 Mg\n0.799804 0.599608 0.000000 Mg\n0.399874 0.600126 0.000000 Mg\n0.200252 0.600126 0.000000 Mg\n0.797733 0.796401 0.000000 Mg\n0.998668 0.796402 0.000000 Mg\n0.399874 0.799748 0.000000 Mg\n0.199489 0.800511 0.000000 Mg\n0.601023 0.800511 0.000000 Mg\n0.598496 0.999597 0.000000 Mg\n0.401101 0.999598 0.000000 Mg\n0.666666 0.333333 0.166235 Mg\n0.666640 0.133212 0.166260 Mg\n0.466573 0.133212 0.166260 Mg\n0.466573 0.333360 0.166260 Mg\n0.866788 0.333360 0.166260 Mg\n0.666640 0.533427 0.166260 Mg\n0.866788 0.533428 0.166260 Mg\n0.266447 0.532894 0.166356 Mg\n0.467105 0.733553 0.166356 Mg\n0.266447 0.733553 0.166356 Mg\n0.266527 0.332769 0.166417 Mg\n0.066242 0.332770 0.166417 Mg\n0.066242 0.733472 0.166417 Mg\n0.667230 0.733472 0.166417 Mg\n0.667230 0.933757 0.166417 Mg\n0.266527 0.933758 0.166417 Mg\n0.466586 0.533415 0.166761 Mg\n0.066829 0.533415 0.166761 Mg\n0.466586 0.933171 0.166761 Mg\n0.266544 0.133272 0.167248 Mg\n0.866728 0.133273 0.167248 Mg\n0.866728 0.733456 0.167248 Mg\n0.067465 0.134929 0.169476 Mg\n0.067465 0.932536 0.169476 Mg\n0.865071 0.932536 0.169476 Mg\n0.000000 0.000000 0.332611 Mg\n0.199789 0.399577 0.332868 Mg\n0.199789 0.800212 0.332868 Mg\n0.600423 0.800212 0.332868 Mg\n0.800009 0.199991 0.332989 Mg\n0.399982 0.199991 0.332989 Mg\n0.800009 0.600018 0.332989 Mg\n0.600025 0.200051 0.333051 Mg\n0.600025 0.399974 0.333051 Mg\n0.799949 0.399974 0.333051 Mg\n0.200023 0.600012 0.333215 Mg\n0.399988 0.600012 0.333215 Mg\n0.399988 0.799977 0.333215 Mg\n0.400020 0.000000 0.333261 Mg\n0.600030 0.000000 0.333261 Mg\n0.400020 0.399970 0.333261 Mg\n0.000000 0.399970 0.333261 Mg\n0.600030 0.599980 0.333261 Mg\n0.000000 0.599980 0.333261 Mg\n0.799847 0.000121 0.334237 Mg\n0.200275 0.000122 0.334237 Mg\n0.200275 0.200153 0.334237 Mg\n0.999878 0.200153 0.334237 Mg\n0.999878 0.799725 0.334237 Mg\n0.799847 0.799725 0.334237 Mg\n0.066592 0.133183 0.500000 Mg\n0.666582 0.133405 0.500000 Mg\n0.466824 0.133406 0.500000 Mg\n0.266880 0.133440 0.500000 Mg\n0.866559 0.133440 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866594 0.333418 0.500000 Mg\n0.466824 0.333418 0.500000 Mg\n0.066768 0.333430 0.500000 Mg\n0.266662 0.333430 0.500000 Mg\n0.866594 0.533176 0.500000 Mg\n0.666582 0.533176 0.500000 Mg\n0.466555 0.533445 0.500000 Mg\n0.066889 0.533445 0.500000 Mg\n0.266740 0.533481 0.500000 Mg\n0.866559 0.733119 0.500000 Mg\n0.466519 0.733260 0.500000 Mg\n0.266740 0.733260 0.500000 Mg\n0.666571 0.733338 0.500000 Mg\n0.066768 0.733338 0.500000 Mg\n0.466555 0.933110 0.500000 Mg\n0.666571 0.933233 0.500000 Mg\n0.266662 0.933233 0.500000 Mg\n0.866817 0.933409 0.500000 Mg\n0.066592 0.933409 0.500000 Mg\n0.799847 0.000121 0.665763 Mg\n0.200275 0.000122 0.665763 Mg\n0.200275 0.200153 0.665763 Mg\n0.999878 0.200153 0.665763 Mg\n0.999878 0.799725 0.665763 Mg\n0.799847 0.799725 0.665763 Mg\n0.400020 0.000000 0.666738 Mg\n0.600030 0.000000 0.666738 Mg\n0.400020 0.399970 0.666738 Mg\n0.000000 0.399970 0.666738 Mg\n0.600030 0.599980 0.666738 Mg\n0.000000 0.599980 0.666738 Mg\n0.200023 0.600012 0.666784 Mg\n0.399988 0.600012 0.666784 Mg\n0.399988 0.799977 0.666784 Mg\n0.600025 0.200051 0.666949 Mg\n0.600025 0.399974 0.666949 Mg\n0.799949 0.399974 0.666949 Mg\n0.800009 0.199991 0.667011 Mg\n0.399982 0.199991 0.667011 Mg\n0.800009 0.600018 0.667011 Mg\n0.199789 0.399577 0.667132 Mg\n0.199789 0.800212 0.667132 Mg\n0.600423 0.800212 0.667132 Mg\n0.000000 0.000000 0.667389 Mg\n0.067465 0.134929 0.830524 Mg\n0.067465 0.932536 0.830524 Mg\n0.865071 0.932536 0.830524 Mg\n0.266544 0.133272 0.832752 Mg\n0.866728 0.133273 0.832752 Mg\n0.866728 0.733456 0.832752 Mg\n0.466586 0.533415 0.833239 Mg\n0.066829 0.533415 0.833239 Mg\n0.466586 0.933171 0.833239 Mg\n0.266527 0.332769 0.833582 Mg\n0.066242 0.332770 0.833582 Mg\n0.066242 0.733472 0.833582 Mg\n0.667230 0.733472 0.833582 Mg\n0.667230 0.933757 0.833582 Mg\n0.266527 0.933758 0.833582 Mg\n0.266447 0.532894 0.833644 Mg\n0.467105 0.733553 0.833644 Mg\n0.266447 0.733553 0.833644 Mg\n0.666640 0.133212 0.833741 Mg\n0.466573 0.133212 0.833741 Mg\n0.466573 0.333360 0.833741 Mg\n0.866788 0.333360 0.833741 Mg\n0.666640 0.533427 0.833741 Mg\n0.866788 0.533428 0.833741 Mg\n0.666666 0.333333 0.833765 Mg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Te"
],
"chemical_system": "Mg-Te",
"density": 1.8098096154290595,
"density_atomic": 0.04360681822976932,
"volume": 3439.8290471373725,
"volume_molar": 13.810089808131956,
"formula_full": "Mg149 Te1",
"formula_reduced": "Mg149Te",
"formula_anonymous": "AB149",
"formation_energy": -0.003203210527781,
"spacegroup": 187
},
{
"id": "oqmd-31728",
"created_at": "2022-09-04T14:49:02.217714Z",
"updated_at": "2022-09-04T14:49:02.217737Z",
"structure_string": "Mg149 Cr1\n1.0\n13.781662 -7.956850 0.000000\n0.000000 15.913699 0.000000\n0.000000 0.000000 15.600209\nCr Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cr\n0.398870 0.000000 0.000000 Mg\n0.601166 0.000000 0.000000 Mg\n0.804565 0.000320 0.000000 Mg\n0.195756 0.000320 0.000000 Mg\n0.195756 0.195435 0.000000 Mg\n0.999680 0.195436 0.000000 Mg\n0.399204 0.199602 0.000000 Mg\n0.800398 0.199603 0.000000 Mg\n0.599850 0.199700 0.000000 Mg\n0.000000 0.398834 0.000000 Mg\n0.398870 0.398834 0.000000 Mg\n0.199581 0.399162 0.000000 Mg\n0.800300 0.400150 0.000000 Mg\n0.599850 0.400150 0.000000 Mg\n0.199876 0.599938 0.000000 Mg\n0.400062 0.599939 0.000000 Mg\n0.800398 0.600795 0.000000 Mg\n0.000000 0.601130 0.000000 Mg\n0.601166 0.601130 0.000000 Mg\n0.400062 0.800123 0.000000 Mg\n0.199581 0.800419 0.000000 Mg\n0.600838 0.800419 0.000000 Mg\n0.999680 0.804244 0.000000 Mg\n0.804565 0.804245 0.000000 Mg\n0.065163 0.130327 0.162801 Mg\n0.065163 0.934836 0.162801 Mg\n0.869673 0.934837 0.162801 Mg\n0.266001 0.332637 0.166343 Mg\n0.066636 0.332638 0.166343 Mg\n0.066636 0.733999 0.166343 Mg\n0.667363 0.733999 0.166343 Mg\n0.667363 0.933364 0.166343 Mg\n0.266001 0.933364 0.166343 Mg\n0.466674 0.533325 0.166513 Mg\n0.066651 0.533325 0.166513 Mg\n0.466674 0.933349 0.166513 Mg\n0.666666 0.333333 0.166538 Mg\n0.666687 0.133313 0.166597 Mg\n0.466626 0.133313 0.166597 Mg\n0.866687 0.333313 0.166597 Mg\n0.466626 0.333313 0.166597 Mg\n0.866687 0.533374 0.166597 Mg\n0.666687 0.533375 0.166597 Mg\n0.266614 0.533229 0.166746 Mg\n0.266614 0.733385 0.166746 Mg\n0.466771 0.733386 0.166746 Mg\n0.866421 0.133579 0.166757 Mg\n0.267158 0.133579 0.166757 Mg\n0.866421 0.732842 0.166757 Mg\n0.000239 0.199652 0.332353 Mg\n0.199413 0.199652 0.332353 Mg\n0.000239 0.800587 0.332353 Mg\n0.800348 0.800588 0.332353 Mg\n0.800348 0.999761 0.332353 Mg\n0.199413 0.999761 0.332353 Mg\n0.000000 0.000000 0.332772 Mg\n0.600199 0.000000 0.333183 Mg\n0.399849 0.000000 0.333183 Mg\n0.399849 0.399800 0.333183 Mg\n0.000000 0.399801 0.333183 Mg\n0.000000 0.600150 0.333183 Mg\n0.600199 0.600150 0.333183 Mg\n0.600007 0.200014 0.333258 Mg\n0.600007 0.399993 0.333258 Mg\n0.799986 0.399993 0.333258 Mg\n0.399952 0.199976 0.333346 Mg\n0.800024 0.199976 0.333346 Mg\n0.800024 0.600048 0.333346 Mg\n0.200063 0.400126 0.333416 Mg\n0.599874 0.799937 0.333416 Mg\n0.200063 0.799937 0.333416 Mg\n0.400011 0.599988 0.333538 Mg\n0.199977 0.599988 0.333538 Mg\n0.400011 0.800023 0.333538 Mg\n0.866758 0.133242 0.500000 Mg\n0.266483 0.133242 0.500000 Mg\n0.066624 0.133249 0.500000 Mg\n0.466830 0.133542 0.500000 Mg\n0.666711 0.133542 0.500000 Mg\n0.266628 0.333118 0.500000 Mg\n0.066490 0.333119 0.500000 Mg\n0.466830 0.333288 0.500000 Mg\n0.866458 0.333289 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.666711 0.533169 0.500000 Mg\n0.866458 0.533169 0.500000 Mg\n0.466763 0.533236 0.500000 Mg\n0.066474 0.533237 0.500000 Mg\n0.266635 0.533270 0.500000 Mg\n0.266635 0.733365 0.500000 Mg\n0.466730 0.733365 0.500000 Mg\n0.066490 0.733371 0.500000 Mg\n0.666882 0.733372 0.500000 Mg\n0.866758 0.733517 0.500000 Mg\n0.066624 0.933376 0.500000 Mg\n0.866751 0.933376 0.500000 Mg\n0.666882 0.933510 0.500000 Mg\n0.266628 0.933510 0.500000 Mg\n0.466763 0.933526 0.500000 Mg\n0.400011 0.599988 0.666462 Mg\n0.199977 0.599988 0.666462 Mg\n0.400011 0.800023 0.666462 Mg\n0.200063 0.400126 0.666584 Mg\n0.599874 0.799937 0.666584 Mg\n0.200063 0.799937 0.666584 Mg\n0.399952 0.199976 0.666654 Mg\n0.800024 0.199976 0.666654 Mg\n0.800024 0.600048 0.666654 Mg\n0.600007 0.200014 0.666742 Mg\n0.600007 0.399993 0.666742 Mg\n0.799986 0.399993 0.666742 Mg\n0.600199 0.000000 0.666817 Mg\n0.399849 0.000000 0.666817 Mg\n0.399849 0.399800 0.666817 Mg\n0.000000 0.399801 0.666817 Mg\n0.000000 0.600150 0.666817 Mg\n0.600199 0.600150 0.666817 Mg\n0.000000 0.000000 0.667228 Mg\n0.000239 0.199652 0.667647 Mg\n0.199413 0.199652 0.667647 Mg\n0.000239 0.800587 0.667647 Mg\n0.800348 0.800588 0.667647 Mg\n0.800348 0.999761 0.667647 Mg\n0.199413 0.999761 0.667647 Mg\n0.866421 0.133579 0.833243 Mg\n0.267158 0.133579 0.833243 Mg\n0.866421 0.732842 0.833243 Mg\n0.266614 0.533229 0.833254 Mg\n0.266614 0.733385 0.833254 Mg\n0.466771 0.733386 0.833254 Mg\n0.666687 0.133313 0.833403 Mg\n0.466626 0.133313 0.833403 Mg\n0.866687 0.333313 0.833403 Mg\n0.466626 0.333313 0.833403 Mg\n0.866687 0.533374 0.833403 Mg\n0.666687 0.533375 0.833403 Mg\n0.666666 0.333333 0.833463 Mg\n0.466674 0.533325 0.833487 Mg\n0.066651 0.533325 0.833487 Mg\n0.466674 0.933349 0.833487 Mg\n0.266001 0.332637 0.833656 Mg\n0.066636 0.332638 0.833656 Mg\n0.066636 0.733999 0.833656 Mg\n0.667363 0.733999 0.833656 Mg\n0.667363 0.933364 0.833656 Mg\n0.266001 0.933364 0.833656 Mg\n0.065163 0.130327 0.837199 Mg\n0.065163 0.934836 0.837199 Mg\n0.869673 0.934837 0.837199 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Cr",
"Mg"
],
"chemical_system": "Cr-Mg",
"density": 1.7828673332556315,
"density_atomic": 0.04384177294001641,
"volume": 3421.394481587857,
"volume_molar": 13.736079442406202,
"formula_full": "Mg149 Cr1",
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{
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"updated_at": "2022-09-04T14:49:01.947238Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.761396562020992,
"density_atomic": 0.04385163830833944,
"volume": 3420.6247653801775,
"volume_molar": 13.73298921617427,
"formula_full": "Li1 Mg149",
"formula_reduced": "LiMg149",
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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",
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{
"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-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",
"nsites": 150,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"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
}
]
}