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{
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{
"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-31748",
"created_at": "2022-09-04T14:49:01.947210Z",
"updated_at": "2022-09-04T14:49:01.947238Z",
"structure_string": "Li1 Mg149\n1.0\n13.775711 -7.953414 0.000000\n0.000000 15.906828 0.000000\n0.000000 0.000000 15.610177\nLi Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Li\n0.198685 0.198715 0.000000 Mg\n0.000000 0.198715 0.000000 Mg\n0.800210 0.199790 0.000000 Mg\n0.399581 0.199790 0.000000 Mg\n0.599920 0.199840 0.000000 Mg\n0.399526 0.399615 0.000000 Mg\n0.000000 0.399616 0.000000 Mg\n0.199852 0.399703 0.000000 Mg\n0.800160 0.400080 0.000000 Mg\n0.599920 0.400080 0.000000 Mg\n0.200000 0.600000 0.000000 Mg\n0.400000 0.600000 0.000000 Mg\n0.800210 0.600420 0.000000 Mg\n0.600385 0.600474 0.000000 Mg\n0.000000 0.600475 0.000000 Mg\n0.400000 0.800000 0.000000 Mg\n0.600296 0.800148 0.000000 Mg\n0.199852 0.800148 0.000000 Mg\n0.801285 0.801314 0.000000 Mg\n0.000000 0.801315 0.000000 Mg\n0.600385 0.000000 0.000000 Mg\n0.399526 0.000000 0.000000 Mg\n0.801285 0.000000 0.000000 Mg\n0.198685 0.000000 0.000000 Mg\n0.066216 0.132431 0.165386 Mg\n0.867569 0.933784 0.165386 Mg\n0.066216 0.933785 0.165386 Mg\n0.666667 0.333333 0.166558 Mg\n0.466602 0.133296 0.166574 Mg\n0.666694 0.133296 0.166574 Mg\n0.466602 0.333306 0.166574 Mg\n0.866704 0.333306 0.166574 Mg\n0.666694 0.533398 0.166574 Mg\n0.866704 0.533399 0.166574 Mg\n0.866718 0.133281 0.166586 Mg\n0.266563 0.133281 0.166586 Mg\n0.866718 0.733437 0.166586 Mg\n0.266429 0.333092 0.166587 Mg\n0.066662 0.333092 0.166587 Mg\n0.066662 0.733571 0.166587 Mg\n0.666909 0.733571 0.166587 Mg\n0.666909 0.933338 0.166587 Mg\n0.266429 0.933338 0.166587 Mg\n0.066684 0.533342 0.166634 Mg\n0.466658 0.533342 0.166634 Mg\n0.466658 0.933316 0.166634 Mg\n0.266641 0.533282 0.166761 Mg\n0.266641 0.733358 0.166761 Mg\n0.466718 0.733359 0.166761 Mg\n0.000000 0.000000 0.332693 Mg\n0.199768 0.199899 0.332917 Mg\n0.000131 0.199899 0.332917 Mg\n0.800101 0.800233 0.332917 Mg\n0.000131 0.800233 0.332917 Mg\n0.800101 0.999868 0.332917 Mg\n0.199768 0.999869 0.332917 Mg\n0.399968 0.000000 0.333273 Mg\n0.600130 0.000000 0.333273 Mg\n0.399968 0.399870 0.333273 Mg\n0.000000 0.399870 0.333273 Mg\n0.000000 0.600032 0.333273 Mg\n0.600130 0.600033 0.333273 Mg\n0.600015 0.200031 0.333283 Mg\n0.600015 0.399984 0.333283 Mg\n0.799969 0.399984 0.333283 Mg\n0.399995 0.199998 0.333309 Mg\n0.800002 0.199998 0.333309 Mg\n0.800002 0.600005 0.333309 Mg\n0.200083 0.400165 0.333441 Mg\n0.200083 0.799917 0.333441 Mg\n0.599835 0.799917 0.333441 Mg\n0.199969 0.599984 0.333570 Mg\n0.400016 0.599984 0.333570 Mg\n0.400016 0.800031 0.333570 Mg\n0.066634 0.133267 0.500000 Mg\n0.266635 0.133317 0.500000 Mg\n0.866683 0.133317 0.500000 Mg\n0.666676 0.133529 0.500000 Mg\n0.466853 0.133529 0.500000 Mg\n0.066580 0.333209 0.500000 Mg\n0.266629 0.333209 0.500000 Mg\n0.866471 0.333324 0.500000 Mg\n0.466853 0.333324 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866471 0.533147 0.500000 Mg\n0.666676 0.533147 0.500000 Mg\n0.066532 0.533266 0.500000 Mg\n0.466734 0.533266 0.500000 Mg\n0.266676 0.533352 0.500000 Mg\n0.266676 0.733324 0.500000 Mg\n0.466648 0.733324 0.500000 Mg\n0.866683 0.733365 0.500000 Mg\n0.666790 0.733371 0.500000 Mg\n0.066580 0.733371 0.500000 Mg\n0.866733 0.933366 0.500000 Mg\n0.066634 0.933366 0.500000 Mg\n0.666790 0.933420 0.500000 Mg\n0.266629 0.933420 0.500000 Mg\n0.466734 0.933468 0.500000 Mg\n0.199969 0.599984 0.666430 Mg\n0.400016 0.599984 0.666430 Mg\n0.400016 0.800031 0.666430 Mg\n0.200083 0.400165 0.666559 Mg\n0.200083 0.799917 0.666559 Mg\n0.599835 0.799917 0.666559 Mg\n0.399995 0.199998 0.666691 Mg\n0.800002 0.199998 0.666691 Mg\n0.800002 0.600005 0.666691 Mg\n0.600015 0.200031 0.666718 Mg\n0.600015 0.399984 0.666718 Mg\n0.799969 0.399984 0.666718 Mg\n0.399968 0.000000 0.666727 Mg\n0.600130 0.000000 0.666727 Mg\n0.399968 0.399870 0.666727 Mg\n0.000000 0.399870 0.666727 Mg\n0.000000 0.600032 0.666727 Mg\n0.600130 0.600033 0.666727 Mg\n0.199768 0.199899 0.667083 Mg\n0.000131 0.199899 0.667083 Mg\n0.800101 0.800233 0.667083 Mg\n0.000131 0.800233 0.667083 Mg\n0.800101 0.999868 0.667083 Mg\n0.199768 0.999869 0.667083 Mg\n0.000000 0.000000 0.667308 Mg\n0.266641 0.533282 0.833239 Mg\n0.266641 0.733358 0.833239 Mg\n0.466718 0.733359 0.833239 Mg\n0.066684 0.533342 0.833367 Mg\n0.466658 0.533342 0.833367 Mg\n0.466658 0.933316 0.833367 Mg\n0.266429 0.333092 0.833413 Mg\n0.066662 0.333092 0.833413 Mg\n0.066662 0.733571 0.833413 Mg\n0.666909 0.733571 0.833413 Mg\n0.666909 0.933338 0.833413 Mg\n0.266429 0.933338 0.833413 Mg\n0.866718 0.133281 0.833415 Mg\n0.266563 0.133281 0.833415 Mg\n0.866718 0.733437 0.833415 Mg\n0.466602 0.133296 0.833426 Mg\n0.666694 0.133296 0.833426 Mg\n0.466602 0.333306 0.833426 Mg\n0.866704 0.333306 0.833426 Mg\n0.666694 0.533398 0.833426 Mg\n0.866704 0.533399 0.833426 Mg\n0.666667 0.333333 0.833442 Mg\n0.066216 0.132431 0.834614 Mg\n0.867569 0.933784 0.834614 Mg\n0.066216 0.933785 0.834614 Mg\n",
"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",
"formula_anonymous": "AB149",
"formation_energy": -0.0010081605055588,
"spacegroup": 187
},
{
"id": "oqmd-31780",
"created_at": "2022-09-04T14:49:02.168668Z",
"updated_at": "2022-09-04T14:49:02.168702Z",
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"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-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-31732",
"created_at": "2022-09-04T14:49:00.687401Z",
"updated_at": "2022-09-04T14:49:00.687429Z",
"structure_string": "Er1 Mg149\n1.0\n13.811100 -7.973846 0.000000\n0.000000 15.947691 0.000000\n0.000000 0.000000 15.624756\nEr Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Er\n0.599890 0.199780 0.000000 Mg\n0.400975 0.200487 0.000000 Mg\n0.799513 0.200487 0.000000 Mg\n0.200905 0.203621 0.000000 Mg\n0.002716 0.203621 0.000000 Mg\n0.000133 0.399922 0.000000 Mg\n0.399789 0.399922 0.000000 Mg\n0.599890 0.400110 0.000000 Mg\n0.800220 0.400110 0.000000 Mg\n0.201357 0.402714 0.000000 Mg\n0.799513 0.599025 0.000000 Mg\n0.399819 0.600181 0.000000 Mg\n0.200362 0.600181 0.000000 Mg\n0.600078 0.600210 0.000000 Mg\n0.000133 0.600211 0.000000 Mg\n0.201357 0.798643 0.000000 Mg\n0.597286 0.798643 0.000000 Mg\n0.002716 0.799095 0.000000 Mg\n0.796379 0.799095 0.000000 Mg\n0.399819 0.799638 0.000000 Mg\n0.796379 0.997284 0.000000 Mg\n0.200905 0.997284 0.000000 Mg\n0.399789 0.999868 0.000000 Mg\n0.600078 0.999868 0.000000 Mg\n0.263811 0.131906 0.164833 Mg\n0.868095 0.131906 0.164833 Mg\n0.868095 0.736189 0.164833 Mg\n0.666667 0.333333 0.166289 Mg\n0.667272 0.132846 0.166505 Mg\n0.465574 0.132846 0.166505 Mg\n0.867154 0.332728 0.166505 Mg\n0.465574 0.332728 0.166505 Mg\n0.867154 0.534426 0.166505 Mg\n0.667272 0.534426 0.166505 Mg\n0.466705 0.533295 0.167149 Mg\n0.066590 0.533295 0.167149 Mg\n0.466705 0.933410 0.167149 Mg\n0.267083 0.534166 0.167377 Mg\n0.267083 0.732917 0.167377 Mg\n0.465833 0.732917 0.167377 Mg\n0.067778 0.335461 0.167548 Mg\n0.267683 0.335461 0.167548 Mg\n0.664539 0.732317 0.167548 Mg\n0.067778 0.732317 0.167548 Mg\n0.664539 0.932221 0.167548 Mg\n0.267683 0.932221 0.167548 Mg\n0.067407 0.134813 0.168588 Mg\n0.067407 0.932593 0.168588 Mg\n0.865187 0.932594 0.168588 Mg\n0.800088 0.199913 0.332941 Mg\n0.399826 0.199913 0.332941 Mg\n0.800088 0.600175 0.332941 Mg\n0.600056 0.200113 0.332952 Mg\n0.600056 0.399943 0.332952 Mg\n0.799887 0.399944 0.332952 Mg\n0.200363 0.000000 0.333345 Mg\n0.799651 0.000000 0.333345 Mg\n0.200363 0.200349 0.333345 Mg\n0.000000 0.200349 0.333345 Mg\n0.000000 0.799637 0.333345 Mg\n0.799651 0.799637 0.333345 Mg\n0.599854 0.000195 0.333655 Mg\n0.400342 0.000195 0.333655 Mg\n0.999805 0.400146 0.333655 Mg\n0.400342 0.400147 0.333655 Mg\n0.999805 0.599658 0.333655 Mg\n0.599854 0.599659 0.333655 Mg\n0.399996 0.600003 0.333854 Mg\n0.200007 0.600004 0.333854 Mg\n0.399996 0.799993 0.333854 Mg\n0.200275 0.400550 0.334073 Mg\n0.200275 0.799725 0.334073 Mg\n0.599450 0.799725 0.334073 Mg\n0.000000 0.000000 0.334444 Mg\n0.266875 0.133438 0.500000 Mg\n0.866562 0.133438 0.500000 Mg\n0.066780 0.133560 0.500000 Mg\n0.667034 0.134137 0.500000 Mg\n0.467103 0.134138 0.500000 Mg\n0.865862 0.332965 0.500000 Mg\n0.467103 0.332965 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066671 0.333519 0.500000 Mg\n0.266848 0.333520 0.500000 Mg\n0.667034 0.532897 0.500000 Mg\n0.865862 0.532897 0.500000 Mg\n0.466864 0.533137 0.500000 Mg\n0.066273 0.533137 0.500000 Mg\n0.266730 0.533460 0.500000 Mg\n0.866562 0.733125 0.500000 Mg\n0.666481 0.733151 0.500000 Mg\n0.066671 0.733152 0.500000 Mg\n0.266730 0.733270 0.500000 Mg\n0.466540 0.733270 0.500000 Mg\n0.066780 0.933220 0.500000 Mg\n0.866440 0.933220 0.500000 Mg\n0.266848 0.933329 0.500000 Mg\n0.666481 0.933329 0.500000 Mg\n0.466864 0.933727 0.500000 Mg\n0.000000 0.000000 0.665556 Mg\n0.200275 0.400550 0.665927 Mg\n0.200275 0.799725 0.665927 Mg\n0.599450 0.799725 0.665927 Mg\n0.399996 0.600003 0.666147 Mg\n0.200007 0.600004 0.666147 Mg\n0.399996 0.799993 0.666147 Mg\n0.599854 0.000195 0.666344 Mg\n0.400342 0.000195 0.666344 Mg\n0.999805 0.400146 0.666344 Mg\n0.400342 0.400147 0.666344 Mg\n0.999805 0.599658 0.666344 Mg\n0.599854 0.599659 0.666344 Mg\n0.200363 0.000000 0.666656 Mg\n0.799651 0.000000 0.666656 Mg\n0.200363 0.200349 0.666656 Mg\n0.000000 0.200349 0.666656 Mg\n0.000000 0.799637 0.666656 Mg\n0.799651 0.799637 0.666656 Mg\n0.600056 0.200113 0.667048 Mg\n0.600056 0.399943 0.667048 Mg\n0.799887 0.399944 0.667048 Mg\n0.800088 0.199913 0.667059 Mg\n0.399826 0.199913 0.667059 Mg\n0.800088 0.600175 0.667059 Mg\n0.067407 0.134813 0.831412 Mg\n0.067407 0.932593 0.831412 Mg\n0.865187 0.932594 0.831412 Mg\n0.067778 0.335461 0.832452 Mg\n0.267683 0.335461 0.832452 Mg\n0.664539 0.732317 0.832452 Mg\n0.067778 0.732317 0.832452 Mg\n0.664539 0.932221 0.832452 Mg\n0.267683 0.932221 0.832452 Mg\n0.267083 0.534166 0.832624 Mg\n0.267083 0.732917 0.832624 Mg\n0.465833 0.732917 0.832624 Mg\n0.466705 0.533295 0.832851 Mg\n0.066590 0.533295 0.832851 Mg\n0.466705 0.933410 0.832851 Mg\n0.667272 0.132846 0.833495 Mg\n0.465574 0.132846 0.833495 Mg\n0.867154 0.332728 0.833495 Mg\n0.465574 0.332728 0.833495 Mg\n0.867154 0.534426 0.833495 Mg\n0.667272 0.534426 0.833495 Mg\n0.666667 0.333333 0.833711 Mg\n0.263811 0.131906 0.835168 Mg\n0.868095 0.131906 0.835168 Mg\n0.868095 0.736189 0.835168 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Er",
"Mg"
],
"chemical_system": "Er-Mg",
"density": 1.8281021013860295,
"density_atomic": 0.04358649362157733,
"volume": 3441.433057274951,
"volume_molar": 13.816529524684599,
"formula_full": "Er1 Mg149",
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{
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"updated_at": "2022-09-04T14:49:00.191681Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Gd",
"Mg"
],
"chemical_system": "Gd-Mg",
"density": 1.8207446068484867,
"density_atomic": 0.043526059847017184,
"volume": 3446.21131632891,
"volume_molar": 13.835713090425054,
"formula_full": "Gd1 Mg149",
"formula_reduced": "GdMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0001119967777744,
"spacegroup": 187
},
{
"id": "oqmd-31742",
"created_at": "2022-09-04T14:49:00.579922Z",
"updated_at": "2022-09-04T14:49:00.579954Z",
"structure_string": "Ho1 Mg149\n1.0\n13.812211 -7.974487 0.000000\n0.000000 15.948975 0.000000\n0.000000 0.000000 15.624575\nHo Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ho\n0.599891 0.199782 0.000000 Mg\n0.799497 0.200502 0.000000 Mg\n0.401005 0.200503 0.000000 Mg\n0.002800 0.203831 0.000000 Mg\n0.201032 0.203831 0.000000 Mg\n0.000137 0.399939 0.000000 Mg\n0.399803 0.399939 0.000000 Mg\n0.599891 0.400109 0.000000 Mg\n0.800219 0.400109 0.000000 Mg\n0.201395 0.402790 0.000000 Mg\n0.799497 0.598994 0.000000 Mg\n0.200372 0.600186 0.000000 Mg\n0.399814 0.600186 0.000000 Mg\n0.600061 0.600198 0.000000 Mg\n0.000137 0.600198 0.000000 Mg\n0.597211 0.798605 0.000000 Mg\n0.201395 0.798606 0.000000 Mg\n0.002800 0.798968 0.000000 Mg\n0.796169 0.798968 0.000000 Mg\n0.399814 0.799628 0.000000 Mg\n0.796169 0.997200 0.000000 Mg\n0.201032 0.997200 0.000000 Mg\n0.399803 0.999863 0.000000 Mg\n0.600061 0.999864 0.000000 Mg\n0.868141 0.131858 0.164778 Mg\n0.263717 0.131858 0.164778 Mg\n0.868141 0.736283 0.164778 Mg\n0.666667 0.333333 0.166289 Mg\n0.667288 0.132832 0.166500 Mg\n0.465545 0.132832 0.166500 Mg\n0.867167 0.332712 0.166500 Mg\n0.465545 0.332712 0.166500 Mg\n0.867167 0.534455 0.166500 Mg\n0.667288 0.534456 0.166500 Mg\n0.466706 0.533294 0.167162 Mg\n0.066588 0.533294 0.167162 Mg\n0.466706 0.933412 0.167162 Mg\n0.267094 0.534188 0.167393 Mg\n0.267094 0.732905 0.167393 Mg\n0.465811 0.732906 0.167393 Mg\n0.067808 0.335525 0.167572 Mg\n0.267717 0.335525 0.167572 Mg\n0.067808 0.732283 0.167572 Mg\n0.664475 0.732283 0.167572 Mg\n0.664475 0.932191 0.167572 Mg\n0.267717 0.932192 0.167572 Mg\n0.067471 0.134942 0.168737 Mg\n0.067471 0.932529 0.168737 Mg\n0.865058 0.932529 0.168737 Mg\n0.399824 0.199912 0.332930 Mg\n0.800088 0.199912 0.332930 Mg\n0.800088 0.600175 0.332930 Mg\n0.600059 0.200118 0.332948 Mg\n0.600059 0.399941 0.332948 Mg\n0.799881 0.399941 0.332948 Mg\n0.200382 0.000000 0.333354 Mg\n0.799636 0.000000 0.333354 Mg\n0.000000 0.200363 0.333354 Mg\n0.200382 0.200364 0.333354 Mg\n0.000000 0.799618 0.333354 Mg\n0.799636 0.799618 0.333354 Mg\n0.599847 0.000199 0.333665 Mg\n0.400352 0.000200 0.333665 Mg\n0.999801 0.400153 0.333665 Mg\n0.400352 0.400153 0.333665 Mg\n0.999801 0.599648 0.333665 Mg\n0.599847 0.599648 0.333665 Mg\n0.399993 0.600007 0.333869 Mg\n0.200014 0.600007 0.333869 Mg\n0.399993 0.799986 0.333869 Mg\n0.200285 0.400570 0.334088 Mg\n0.599430 0.799715 0.334088 Mg\n0.200285 0.799715 0.334088 Mg\n0.000000 0.000000 0.334449 Mg\n0.266881 0.133441 0.500000 Mg\n0.866559 0.133441 0.500000 Mg\n0.066783 0.133566 0.500000 Mg\n0.667044 0.134160 0.500000 Mg\n0.467116 0.134161 0.500000 Mg\n0.467116 0.332956 0.500000 Mg\n0.865840 0.332956 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266851 0.333529 0.500000 Mg\n0.066678 0.333529 0.500000 Mg\n0.865840 0.532884 0.500000 Mg\n0.667044 0.532884 0.500000 Mg\n0.466867 0.533133 0.500000 Mg\n0.066266 0.533133 0.500000 Mg\n0.266734 0.533468 0.500000 Mg\n0.866559 0.733118 0.500000 Mg\n0.666472 0.733149 0.500000 Mg\n0.066678 0.733149 0.500000 Mg\n0.266734 0.733266 0.500000 Mg\n0.466532 0.733266 0.500000 Mg\n0.066783 0.933217 0.500000 Mg\n0.866433 0.933217 0.500000 Mg\n0.266851 0.933323 0.500000 Mg\n0.666472 0.933323 0.500000 Mg\n0.466867 0.933733 0.500000 Mg\n0.000000 0.000000 0.665552 Mg\n0.200285 0.400570 0.665912 Mg\n0.599430 0.799715 0.665912 Mg\n0.200285 0.799715 0.665912 Mg\n0.399993 0.600007 0.666131 Mg\n0.200014 0.600007 0.666131 Mg\n0.399993 0.799986 0.666131 Mg\n0.599847 0.000199 0.666334 Mg\n0.400352 0.000200 0.666334 Mg\n0.999801 0.400153 0.666334 Mg\n0.400352 0.400153 0.666334 Mg\n0.999801 0.599648 0.666334 Mg\n0.599847 0.599648 0.666334 Mg\n0.200382 0.000000 0.666646 Mg\n0.799636 0.000000 0.666646 Mg\n0.000000 0.200363 0.666646 Mg\n0.200382 0.200364 0.666646 Mg\n0.000000 0.799618 0.666646 Mg\n0.799636 0.799618 0.666646 Mg\n0.600059 0.200118 0.667052 Mg\n0.600059 0.399941 0.667052 Mg\n0.799881 0.399941 0.667052 Mg\n0.399824 0.199912 0.667070 Mg\n0.800088 0.199912 0.667070 Mg\n0.800088 0.600175 0.667070 Mg\n0.067471 0.134942 0.831263 Mg\n0.067471 0.932529 0.831263 Mg\n0.865058 0.932529 0.831263 Mg\n0.067808 0.335525 0.832428 Mg\n0.267717 0.335525 0.832428 Mg\n0.067808 0.732283 0.832428 Mg\n0.664475 0.732283 0.832428 Mg\n0.664475 0.932191 0.832428 Mg\n0.267717 0.932192 0.832428 Mg\n0.267094 0.534188 0.832607 Mg\n0.267094 0.732905 0.832607 Mg\n0.465811 0.732906 0.832607 Mg\n0.466706 0.533294 0.832837 Mg\n0.066588 0.533294 0.832837 Mg\n0.466706 0.933412 0.832837 Mg\n0.667288 0.132832 0.833500 Mg\n0.465545 0.132832 0.833500 Mg\n0.867167 0.332712 0.833500 Mg\n0.465545 0.332712 0.833500 Mg\n0.867167 0.534455 0.833500 Mg\n0.667288 0.534456 0.833500 Mg\n0.666667 0.333333 0.833710 Mg\n0.868141 0.131858 0.835221 Mg\n0.263717 0.131858 0.835221 Mg\n0.868141 0.736283 0.835221 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ho",
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],
"chemical_system": "Ho-Mg",
"density": 1.8267056147287415,
"density_atomic": 0.043579983809345704,
"volume": 3441.9471254560813,
"volume_molar": 13.818593385315934,
"formula_full": "Ho1 Mg149",
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"spacegroup": 187
},
{
"id": "oqmd-31722",
"created_at": "2022-09-04T15:15:52.875486Z",
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"elements": [
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"density": 1.7735648819330476,
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"volume": 3401.9026865453093,
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{
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"updated_at": "2022-09-04T14:49:02.650881Z",
"structure_string": "Mg149 Al1\n1.0\n13.767907 -7.948909 0.000000\n0.000000 15.897817 0.000000\n0.000000 0.000000 15.629088\nAl Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Al\n0.197588 0.000801 0.000000 Mg\n0.803213 0.000801 0.000000 Mg\n0.999199 0.196787 0.000000 Mg\n0.197588 0.196787 0.000000 Mg\n0.800338 0.199662 0.000000 Mg\n0.399324 0.199662 0.000000 Mg\n0.599931 0.199861 0.000000 Mg\n0.199268 0.398536 0.000000 Mg\n0.000000 0.399572 0.000000 Mg\n0.399496 0.399572 0.000000 Mg\n0.800139 0.400070 0.000000 Mg\n0.599931 0.400070 0.000000 Mg\n0.400089 0.599910 0.000000 Mg\n0.199821 0.599911 0.000000 Mg\n0.000000 0.600503 0.000000 Mg\n0.600428 0.600504 0.000000 Mg\n0.800338 0.600676 0.000000 Mg\n0.400089 0.800179 0.000000 Mg\n0.199268 0.800732 0.000000 Mg\n0.601464 0.800732 0.000000 Mg\n0.999199 0.802412 0.000000 Mg\n0.803213 0.802412 0.000000 Mg\n0.600428 0.000000 0.000000 Mg\n0.399496 0.000000 0.000000 Mg\n0.065681 0.131362 0.164447 Mg\n0.868639 0.934320 0.164447 Mg\n0.065681 0.934320 0.164447 Mg\n0.265900 0.332240 0.166241 Mg\n0.066341 0.332240 0.166241 Mg\n0.667759 0.734100 0.166241 Mg\n0.066341 0.734100 0.166241 Mg\n0.667759 0.933659 0.166241 Mg\n0.265900 0.933659 0.166241 Mg\n0.666666 0.333333 0.166490 Mg\n0.466657 0.533343 0.166525 Mg\n0.066686 0.533343 0.166525 Mg\n0.466657 0.933315 0.166525 Mg\n0.466640 0.133271 0.166527 Mg\n0.666631 0.133271 0.166527 Mg\n0.466640 0.333370 0.166527 Mg\n0.866729 0.333370 0.166527 Mg\n0.866729 0.533360 0.166527 Mg\n0.666631 0.533360 0.166527 Mg\n0.266450 0.532900 0.166540 Mg\n0.467100 0.733550 0.166540 Mg\n0.266450 0.733550 0.166540 Mg\n0.866429 0.133571 0.167138 Mg\n0.267142 0.133571 0.167138 Mg\n0.866429 0.732858 0.167138 Mg\n0.000000 0.000000 0.332669 Mg\n0.000169 0.199668 0.333000 Mg\n0.199500 0.199669 0.333000 Mg\n0.000169 0.800500 0.333000 Mg\n0.800332 0.800500 0.333000 Mg\n0.199500 0.999832 0.333000 Mg\n0.800332 0.999832 0.333000 Mg\n0.199880 0.399760 0.333098 Mg\n0.199880 0.800120 0.333098 Mg\n0.600241 0.800121 0.333098 Mg\n0.000000 0.399755 0.333137 Mg\n0.399745 0.399755 0.333137 Mg\n0.000000 0.600255 0.333137 Mg\n0.600245 0.600256 0.333137 Mg\n0.600245 0.000000 0.333137 Mg\n0.399745 0.000000 0.333137 Mg\n0.599981 0.199961 0.333181 Mg\n0.800039 0.400019 0.333181 Mg\n0.599981 0.400020 0.333181 Mg\n0.399835 0.199917 0.333318 Mg\n0.800082 0.199918 0.333318 Mg\n0.800082 0.600165 0.333318 Mg\n0.400019 0.599980 0.333321 Mg\n0.199961 0.599981 0.333321 Mg\n0.400019 0.800039 0.333321 Mg\n0.066558 0.133115 0.500000 Mg\n0.266483 0.133242 0.500000 Mg\n0.866758 0.133242 0.500000 Mg\n0.466691 0.133338 0.500000 Mg\n0.666647 0.133338 0.500000 Mg\n0.266529 0.333028 0.500000 Mg\n0.066499 0.333028 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.466691 0.333353 0.500000 Mg\n0.866662 0.333353 0.500000 Mg\n0.266616 0.533233 0.500000 Mg\n0.066569 0.533284 0.500000 Mg\n0.466716 0.533285 0.500000 Mg\n0.866662 0.533309 0.500000 Mg\n0.666647 0.533309 0.500000 Mg\n0.266616 0.733384 0.500000 Mg\n0.466767 0.733384 0.500000 Mg\n0.666972 0.733471 0.500000 Mg\n0.066499 0.733471 0.500000 Mg\n0.866758 0.733517 0.500000 Mg\n0.466716 0.933431 0.500000 Mg\n0.866885 0.933443 0.500000 Mg\n0.066558 0.933443 0.500000 Mg\n0.266529 0.933501 0.500000 Mg\n0.666972 0.933502 0.500000 Mg\n0.400019 0.599980 0.666679 Mg\n0.199961 0.599981 0.666679 Mg\n0.400019 0.800039 0.666679 Mg\n0.399835 0.199917 0.666682 Mg\n0.800082 0.199918 0.666682 Mg\n0.800082 0.600165 0.666682 Mg\n0.599981 0.199961 0.666819 Mg\n0.800039 0.400019 0.666819 Mg\n0.599981 0.400020 0.666819 Mg\n0.000000 0.399755 0.666863 Mg\n0.399745 0.399755 0.666863 Mg\n0.000000 0.600255 0.666863 Mg\n0.600245 0.600256 0.666863 Mg\n0.600245 0.000000 0.666863 Mg\n0.399745 0.000000 0.666863 Mg\n0.199880 0.399760 0.666902 Mg\n0.199880 0.800120 0.666902 Mg\n0.600241 0.800121 0.666902 Mg\n0.000169 0.199668 0.667001 Mg\n0.199500 0.199669 0.667001 Mg\n0.000169 0.800500 0.667001 Mg\n0.800332 0.800500 0.667001 Mg\n0.199500 0.999832 0.667001 Mg\n0.800332 0.999832 0.667001 Mg\n0.000000 0.000000 0.667331 Mg\n0.866429 0.133571 0.832862 Mg\n0.267142 0.133571 0.832862 Mg\n0.866429 0.732858 0.832862 Mg\n0.266450 0.532900 0.833459 Mg\n0.467100 0.733550 0.833459 Mg\n0.266450 0.733550 0.833459 Mg\n0.466640 0.133271 0.833473 Mg\n0.666631 0.133271 0.833473 Mg\n0.466640 0.333370 0.833473 Mg\n0.866729 0.333370 0.833473 Mg\n0.866729 0.533360 0.833473 Mg\n0.666631 0.533360 0.833473 Mg\n0.466657 0.533343 0.833474 Mg\n0.066686 0.533343 0.833474 Mg\n0.466657 0.933315 0.833474 Mg\n0.666666 0.333333 0.833511 Mg\n0.265900 0.332240 0.833759 Mg\n0.066341 0.332240 0.833759 Mg\n0.667759 0.734100 0.833759 Mg\n0.066341 0.734100 0.833759 Mg\n0.667759 0.933659 0.833759 Mg\n0.265900 0.933659 0.833759 Mg\n0.065681 0.131362 0.835553 Mg\n0.868639 0.934320 0.835553 Mg\n0.065681 0.934320 0.835553 Mg\n",
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"elements": [
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"chemical_system": "Al-Mg",
"density": 1.77098812794002,
"density_atomic": 0.043848243955003,
"volume": 3420.889560684112,
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"formula_full": "Mg149 Al1",
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{
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"created_at": "2022-09-04T14:49:00.540081Z",
"updated_at": "2022-09-04T14:49:00.540105Z",
"structure_string": "Nd1 Mg149\n1.0\n13.826533 -7.982756 0.000000\n0.000000 15.965512 0.000000\n0.000000 0.000000 15.626301\nMg Nd\n149 1\ndirect\n0.599978 0.199957 0.000000 Mg\n0.401339 0.200670 0.000000 Mg\n0.799331 0.200670 0.000000 Mg\n0.003413 0.206073 0.000000 Mg\n0.202660 0.206073 0.000000 Mg\n0.599978 0.400021 0.000000 Mg\n0.800043 0.400021 0.000000 Mg\n0.400159 0.400344 0.000000 Mg\n0.000186 0.400344 0.000000 Mg\n0.201755 0.403509 0.000000 Mg\n0.799331 0.598660 0.000000 Mg\n0.000186 0.599841 0.000000 Mg\n0.599656 0.599841 0.000000 Mg\n0.399718 0.600283 0.000000 Mg\n0.200565 0.600283 0.000000 Mg\n0.003413 0.797340 0.000000 Mg\n0.793927 0.797340 0.000000 Mg\n0.201755 0.798246 0.000000 Mg\n0.596491 0.798246 0.000000 Mg\n0.399718 0.799435 0.000000 Mg\n0.793927 0.996587 0.000000 Mg\n0.202660 0.996587 0.000000 Mg\n0.599656 0.999814 0.000000 Mg\n0.400159 0.999815 0.000000 Mg\n0.262869 0.131435 0.164359 Mg\n0.868566 0.131435 0.164359 Mg\n0.868566 0.737131 0.164359 Mg\n0.666667 0.333333 0.166292 Mg\n0.465333 0.132744 0.166483 Mg\n0.667411 0.132744 0.166483 Mg\n0.867256 0.332589 0.166483 Mg\n0.465333 0.332589 0.166483 Mg\n0.667411 0.534667 0.166483 Mg\n0.867256 0.534667 0.166483 Mg\n0.466693 0.533307 0.167331 Mg\n0.066615 0.533308 0.167331 Mg\n0.466693 0.933385 0.167331 Mg\n0.267201 0.534402 0.167478 Mg\n0.267201 0.732799 0.167478 Mg\n0.465598 0.732799 0.167478 Mg\n0.068008 0.336123 0.167802 Mg\n0.268116 0.336123 0.167802 Mg\n0.068008 0.731884 0.167802 Mg\n0.663877 0.731884 0.167802 Mg\n0.663877 0.931993 0.167802 Mg\n0.268116 0.931993 0.167802 Mg\n0.068205 0.136411 0.170402 Mg\n0.068205 0.931794 0.170402 Mg\n0.863590 0.931795 0.170402 Mg\n0.800070 0.199930 0.332829 Mg\n0.399859 0.199930 0.332829 Mg\n0.800070 0.600141 0.332829 Mg\n0.600085 0.200169 0.332922 Mg\n0.799831 0.399916 0.332922 Mg\n0.600085 0.399916 0.332922 Mg\n0.200682 0.000000 0.333684 Mg\n0.799404 0.000000 0.333684 Mg\n0.000000 0.200595 0.333684 Mg\n0.200682 0.200596 0.333684 Mg\n0.799404 0.799318 0.333684 Mg\n0.000000 0.799318 0.333684 Mg\n0.599721 0.000213 0.333758 Mg\n0.400492 0.000213 0.333758 Mg\n0.400492 0.400279 0.333758 Mg\n0.999787 0.400279 0.333758 Mg\n0.999787 0.599508 0.333758 Mg\n0.599721 0.599508 0.333758 Mg\n0.399958 0.600042 0.333897 Mg\n0.200085 0.600043 0.333897 Mg\n0.399958 0.799915 0.333897 Mg\n0.200321 0.400641 0.334160 Mg\n0.200321 0.799679 0.334160 Mg\n0.599359 0.799680 0.334160 Mg\n0.000000 0.000000 0.334468 Mg\n0.866504 0.133495 0.500000 Mg\n0.266991 0.133496 0.500000 Mg\n0.066790 0.133581 0.500000 Mg\n0.467165 0.134276 0.500000 Mg\n0.667112 0.134277 0.500000 Mg\n0.865723 0.332888 0.500000 Mg\n0.467165 0.332888 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266916 0.333689 0.500000 Mg\n0.066774 0.333690 0.500000 Mg\n0.865723 0.532835 0.500000 Mg\n0.667112 0.532836 0.500000 Mg\n0.466859 0.533141 0.500000 Mg\n0.066282 0.533141 0.500000 Mg\n0.266764 0.533528 0.500000 Mg\n0.866504 0.733009 0.500000 Mg\n0.666310 0.733084 0.500000 Mg\n0.066774 0.733084 0.500000 Mg\n0.266764 0.733236 0.500000 Mg\n0.466472 0.733236 0.500000 Mg\n0.066790 0.933210 0.500000 Mg\n0.866420 0.933210 0.500000 Mg\n0.666310 0.933226 0.500000 Mg\n0.266916 0.933226 0.500000 Mg\n0.466859 0.933718 0.500000 Mg\n0.000000 0.000000 0.665532 Mg\n0.200321 0.400641 0.665840 Mg\n0.200321 0.799679 0.665840 Mg\n0.599359 0.799680 0.665840 Mg\n0.399958 0.600042 0.666103 Mg\n0.200085 0.600043 0.666103 Mg\n0.399958 0.799915 0.666103 Mg\n0.599721 0.000213 0.666242 Mg\n0.400492 0.000213 0.666242 Mg\n0.400492 0.400279 0.666242 Mg\n0.999787 0.400279 0.666242 Mg\n0.999787 0.599508 0.666242 Mg\n0.599721 0.599508 0.666242 Mg\n0.200682 0.000000 0.666316 Mg\n0.799404 0.000000 0.666316 Mg\n0.000000 0.200595 0.666316 Mg\n0.200682 0.200596 0.666316 Mg\n0.799404 0.799318 0.666316 Mg\n0.000000 0.799318 0.666316 Mg\n0.600085 0.200169 0.667078 Mg\n0.799831 0.399916 0.667078 Mg\n0.600085 0.399916 0.667078 Mg\n0.800070 0.199930 0.667171 Mg\n0.399859 0.199930 0.667171 Mg\n0.800070 0.600141 0.667171 Mg\n0.068205 0.136411 0.829597 Mg\n0.068205 0.931794 0.829597 Mg\n0.863590 0.931795 0.829597 Mg\n0.068008 0.336123 0.832198 Mg\n0.268116 0.336123 0.832198 Mg\n0.068008 0.731884 0.832198 Mg\n0.663877 0.731884 0.832198 Mg\n0.663877 0.931993 0.832198 Mg\n0.268116 0.931993 0.832198 Mg\n0.267201 0.534402 0.832522 Mg\n0.267201 0.732799 0.832522 Mg\n0.465598 0.732799 0.832522 Mg\n0.466693 0.533307 0.832669 Mg\n0.066615 0.533308 0.832669 Mg\n0.466693 0.933385 0.832669 Mg\n0.465333 0.132744 0.833517 Mg\n0.667411 0.132744 0.833517 Mg\n0.867256 0.332589 0.833517 Mg\n0.465333 0.332589 0.833517 Mg\n0.667411 0.534667 0.833517 Mg\n0.867256 0.534667 0.833517 Mg\n0.666667 0.333333 0.833708 Mg\n0.262869 0.131435 0.835641 Mg\n0.868566 0.131435 0.835641 Mg\n0.868566 0.737131 0.835641 Mg\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Nd"
],
"chemical_system": "Mg-Nd",
"density": 1.8127628229077652,
"density_atomic": 0.0434849453279764,
"volume": 3449.4696697593927,
"volume_molar": 13.84879459909452,
"formula_full": "Nd1 Mg149",
"formula_reduced": "NdMg149",
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},
{
"id": "oqmd-31718",
"created_at": "2022-09-04T14:49:00.268315Z",
"updated_at": "2022-09-04T14:49:00.268350Z",
"structure_string": "Ba1 Mg149\n1.0\n13.845741 -7.993846 0.000000\n0.000000 15.987692 0.000000\n0.000000 0.000000 15.675166\nBa Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ba\n0.600271 0.200542 0.000000 Mg\n0.798925 0.201074 0.000000 Mg\n0.402149 0.201074 0.000000 Mg\n0.208986 0.212514 0.000000 Mg\n0.003529 0.212515 0.000000 Mg\n0.799458 0.399729 0.000000 Mg\n0.600271 0.399729 0.000000 Mg\n0.000506 0.402753 0.000000 Mg\n0.402246 0.402753 0.000000 Mg\n0.202361 0.404722 0.000000 Mg\n0.597246 0.597753 0.000000 Mg\n0.000506 0.597753 0.000000 Mg\n0.798925 0.597851 0.000000 Mg\n0.399441 0.600560 0.000000 Mg\n0.201120 0.600560 0.000000 Mg\n0.787485 0.791014 0.000000 Mg\n0.003529 0.791014 0.000000 Mg\n0.202361 0.797639 0.000000 Mg\n0.595278 0.797639 0.000000 Mg\n0.399441 0.798881 0.000000 Mg\n0.787485 0.996471 0.000000 Mg\n0.208986 0.996471 0.000000 Mg\n0.597246 0.999493 0.000000 Mg\n0.402246 0.999494 0.000000 Mg\n0.868939 0.131060 0.164339 Mg\n0.262121 0.131061 0.164339 Mg\n0.868939 0.737879 0.164339 Mg\n0.666666 0.333333 0.166139 Mg\n0.667409 0.132739 0.166426 Mg\n0.465330 0.132739 0.166426 Mg\n0.465330 0.332591 0.166426 Mg\n0.867261 0.332591 0.166426 Mg\n0.667409 0.534670 0.166426 Mg\n0.867261 0.534670 0.166426 Mg\n0.267243 0.534486 0.167443 Mg\n0.267243 0.732757 0.167443 Mg\n0.465514 0.732757 0.167443 Mg\n0.066743 0.533372 0.167711 Mg\n0.466629 0.533372 0.167711 Mg\n0.466629 0.933257 0.167711 Mg\n0.268904 0.336944 0.168202 Mg\n0.068040 0.336944 0.168202 Mg\n0.663056 0.731096 0.168202 Mg\n0.068040 0.731096 0.168202 Mg\n0.268904 0.931960 0.168202 Mg\n0.663056 0.931960 0.168202 Mg\n0.070460 0.140919 0.175625 Mg\n0.859080 0.929540 0.175625 Mg\n0.070460 0.929540 0.175625 Mg\n0.800100 0.199900 0.332580 Mg\n0.399800 0.199900 0.332580 Mg\n0.800100 0.600200 0.332580 Mg\n0.600077 0.200154 0.332862 Mg\n0.600077 0.399923 0.332862 Mg\n0.799846 0.399923 0.332862 Mg\n0.399989 0.600011 0.333753 Mg\n0.200023 0.600012 0.333753 Mg\n0.399989 0.799978 0.333753 Mg\n0.599537 0.000233 0.333885 Mg\n0.400696 0.000233 0.333885 Mg\n0.400696 0.400462 0.333885 Mg\n0.999767 0.400462 0.333885 Mg\n0.599537 0.599304 0.333885 Mg\n0.999767 0.599304 0.333885 Mg\n0.200164 0.400329 0.333997 Mg\n0.200164 0.799835 0.333997 Mg\n0.599671 0.799836 0.333997 Mg\n0.000000 0.000000 0.334355 Mg\n0.798833 0.000553 0.335303 Mg\n0.201720 0.000553 0.335303 Mg\n0.201720 0.201166 0.335303 Mg\n0.999447 0.201167 0.335303 Mg\n0.999447 0.798280 0.335303 Mg\n0.798833 0.798280 0.335303 Mg\n0.066722 0.133443 0.500000 Mg\n0.267199 0.133600 0.500000 Mg\n0.866401 0.133600 0.500000 Mg\n0.667050 0.134123 0.500000 Mg\n0.467073 0.134123 0.500000 Mg\n0.865877 0.332950 0.500000 Mg\n0.467073 0.332950 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066944 0.333927 0.500000 Mg\n0.266983 0.333927 0.500000 Mg\n0.667050 0.532927 0.500000 Mg\n0.865877 0.532927 0.500000 Mg\n0.466762 0.533237 0.500000 Mg\n0.066475 0.533238 0.500000 Mg\n0.266821 0.533643 0.500000 Mg\n0.866401 0.732801 0.500000 Mg\n0.666073 0.733017 0.500000 Mg\n0.066944 0.733017 0.500000 Mg\n0.466357 0.733179 0.500000 Mg\n0.266821 0.733179 0.500000 Mg\n0.266983 0.933056 0.500000 Mg\n0.666073 0.933056 0.500000 Mg\n0.866557 0.933279 0.500000 Mg\n0.066722 0.933279 0.500000 Mg\n0.466762 0.933525 0.500000 Mg\n0.798833 0.000553 0.664697 Mg\n0.201720 0.000553 0.664697 Mg\n0.201720 0.201166 0.664697 Mg\n0.999447 0.201167 0.664697 Mg\n0.999447 0.798280 0.664697 Mg\n0.798833 0.798280 0.664697 Mg\n0.000000 0.000000 0.665645 Mg\n0.200164 0.400329 0.666003 Mg\n0.200164 0.799835 0.666003 Mg\n0.599671 0.799836 0.666003 Mg\n0.599537 0.000233 0.666115 Mg\n0.400696 0.000233 0.666115 Mg\n0.400696 0.400462 0.666115 Mg\n0.999767 0.400462 0.666115 Mg\n0.599537 0.599304 0.666115 Mg\n0.999767 0.599304 0.666115 Mg\n0.399989 0.600011 0.666247 Mg\n0.200023 0.600012 0.666247 Mg\n0.399989 0.799978 0.666247 Mg\n0.600077 0.200154 0.667138 Mg\n0.600077 0.399923 0.667138 Mg\n0.799846 0.399923 0.667138 Mg\n0.800100 0.199900 0.667421 Mg\n0.399800 0.199900 0.667421 Mg\n0.800100 0.600200 0.667421 Mg\n0.070460 0.140919 0.824375 Mg\n0.859080 0.929540 0.824375 Mg\n0.070460 0.929540 0.824375 Mg\n0.268904 0.336944 0.831799 Mg\n0.068040 0.336944 0.831799 Mg\n0.663056 0.731096 0.831799 Mg\n0.068040 0.731096 0.831799 Mg\n0.268904 0.931960 0.831799 Mg\n0.663056 0.931960 0.831799 Mg\n0.066743 0.533372 0.832289 Mg\n0.466629 0.533372 0.832289 Mg\n0.466629 0.933257 0.832289 Mg\n0.267243 0.534486 0.832557 Mg\n0.267243 0.732757 0.832557 Mg\n0.465514 0.732757 0.832557 Mg\n0.667409 0.132739 0.833575 Mg\n0.465330 0.132739 0.833575 Mg\n0.465330 0.332591 0.833575 Mg\n0.867261 0.332591 0.833575 Mg\n0.667409 0.534670 0.833575 Mg\n0.867261 0.534670 0.833575 Mg\n0.666666 0.333333 0.833862 Mg\n0.868939 0.131060 0.835661 Mg\n0.262121 0.131061 0.835661 Mg\n0.868939 0.737879 0.835661 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ba",
"Mg"
],
"chemical_system": "Ba-Mg",
"density": 1.7987920328472826,
"density_atomic": 0.043229193564479525,
"volume": 3469.877359064401,
"volume_molar": 13.930726584148589,
"formula_full": "Ba1 Mg149",
"formula_reduced": "BaMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0067873123611078,
"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
}
]
}