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{
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"results": [
{
"id": "oqmd-31737",
"created_at": "2022-09-04T14:49:00.191655Z",
"updated_at": "2022-09-04T14:49:00.191681Z",
"structure_string": "Gd1 Mg149\n1.0\n13.819318 -7.978591 0.000000\n0.000000 15.957182 0.000000\n0.000000 0.000000 15.627845\nGd Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Gd\n0.599901 0.199801 0.000000 Mg\n0.799412 0.200588 0.000000 Mg\n0.401175 0.200588 0.000000 Mg\n0.201548 0.204586 0.000000 Mg\n0.003039 0.204587 0.000000 Mg\n0.399903 0.400063 0.000000 Mg\n0.000160 0.400063 0.000000 Mg\n0.599901 0.400100 0.000000 Mg\n0.800199 0.400100 0.000000 Mg\n0.201506 0.403012 0.000000 Mg\n0.799412 0.598825 0.000000 Mg\n0.000160 0.600096 0.000000 Mg\n0.599936 0.600096 0.000000 Mg\n0.200432 0.600216 0.000000 Mg\n0.399785 0.600216 0.000000 Mg\n0.795413 0.798452 0.000000 Mg\n0.003039 0.798452 0.000000 Mg\n0.596988 0.798494 0.000000 Mg\n0.201506 0.798494 0.000000 Mg\n0.399785 0.799569 0.000000 Mg\n0.795413 0.996962 0.000000 Mg\n0.201548 0.996962 0.000000 Mg\n0.399903 0.999840 0.000000 Mg\n0.599936 0.999840 0.000000 Mg\n0.263399 0.131699 0.164588 Mg\n0.868300 0.131700 0.164588 Mg\n0.868300 0.736601 0.164588 Mg\n0.666667 0.333333 0.166269 Mg\n0.667339 0.132799 0.166482 Mg\n0.465461 0.132800 0.166482 Mg\n0.465461 0.332661 0.166482 Mg\n0.867201 0.332661 0.166482 Mg\n0.867201 0.534539 0.166482 Mg\n0.667339 0.534540 0.166482 Mg\n0.066590 0.533295 0.167190 Mg\n0.466705 0.533295 0.167190 Mg\n0.466705 0.933410 0.167190 Mg\n0.267122 0.534245 0.167411 Mg\n0.465756 0.732878 0.167411 Mg\n0.267122 0.732878 0.167411 Mg\n0.267855 0.335728 0.167632 Mg\n0.067873 0.335729 0.167632 Mg\n0.664272 0.732144 0.167632 Mg\n0.067873 0.732144 0.167632 Mg\n0.267855 0.932127 0.167632 Mg\n0.664272 0.932127 0.167632 Mg\n0.067715 0.135431 0.169291 Mg\n0.864569 0.932284 0.169291 Mg\n0.067715 0.932284 0.169291 Mg\n0.800100 0.199900 0.332899 Mg\n0.399799 0.199900 0.332899 Mg\n0.800100 0.600201 0.332899 Mg\n0.600059 0.200119 0.332929 Mg\n0.600059 0.399940 0.332929 Mg\n0.799881 0.399941 0.332929 Mg\n0.200459 0.000000 0.333432 Mg\n0.799590 0.000000 0.333432 Mg\n0.200459 0.200410 0.333432 Mg\n0.000000 0.200410 0.333432 Mg\n0.799590 0.799540 0.333432 Mg\n0.000000 0.799541 0.333432 Mg\n0.599827 0.000199 0.333666 Mg\n0.400372 0.000200 0.333666 Mg\n0.400372 0.400173 0.333666 Mg\n0.999800 0.400173 0.333666 Mg\n0.999800 0.599628 0.333666 Mg\n0.599827 0.599628 0.333666 Mg\n0.200027 0.600014 0.333891 Mg\n0.399986 0.600014 0.333891 Mg\n0.399986 0.799973 0.333891 Mg\n0.200290 0.400580 0.334111 Mg\n0.599420 0.799710 0.334111 Mg\n0.200290 0.799710 0.334111 Mg\n0.000000 0.000000 0.334454 Mg\n0.266853 0.133426 0.500000 Mg\n0.866574 0.133426 0.500000 Mg\n0.066777 0.133553 0.500000 Mg\n0.467131 0.134217 0.500000 Mg\n0.667086 0.134217 0.500000 Mg\n0.467131 0.332914 0.500000 Mg\n0.865783 0.332914 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066673 0.333511 0.500000 Mg\n0.266838 0.333511 0.500000 Mg\n0.865783 0.532869 0.500000 Mg\n0.667086 0.532869 0.500000 Mg\n0.066221 0.533110 0.500000 Mg\n0.466889 0.533111 0.500000 Mg\n0.266725 0.533450 0.500000 Mg\n0.866574 0.733148 0.500000 Mg\n0.066673 0.733162 0.500000 Mg\n0.666489 0.733162 0.500000 Mg\n0.466550 0.733275 0.500000 Mg\n0.266725 0.733275 0.500000 Mg\n0.866447 0.933223 0.500000 Mg\n0.066777 0.933223 0.500000 Mg\n0.666489 0.933327 0.500000 Mg\n0.266838 0.933327 0.500000 Mg\n0.466889 0.933779 0.500000 Mg\n0.000000 0.000000 0.665545 Mg\n0.200290 0.400580 0.665889 Mg\n0.599420 0.799710 0.665889 Mg\n0.200290 0.799710 0.665889 Mg\n0.200027 0.600014 0.666110 Mg\n0.399986 0.600014 0.666110 Mg\n0.399986 0.799973 0.666110 Mg\n0.599827 0.000199 0.666334 Mg\n0.400372 0.000200 0.666334 Mg\n0.400372 0.400173 0.666334 Mg\n0.999800 0.400173 0.666334 Mg\n0.999800 0.599628 0.666334 Mg\n0.599827 0.599628 0.666334 Mg\n0.200459 0.000000 0.666569 Mg\n0.799590 0.000000 0.666569 Mg\n0.200459 0.200410 0.666569 Mg\n0.000000 0.200410 0.666569 Mg\n0.799590 0.799540 0.666569 Mg\n0.000000 0.799541 0.666569 Mg\n0.600059 0.200119 0.667071 Mg\n0.600059 0.399940 0.667071 Mg\n0.799881 0.399941 0.667071 Mg\n0.800100 0.199900 0.667101 Mg\n0.399799 0.199900 0.667101 Mg\n0.800100 0.600201 0.667101 Mg\n0.067715 0.135431 0.830710 Mg\n0.864569 0.932284 0.830710 Mg\n0.067715 0.932284 0.830710 Mg\n0.267855 0.335728 0.832368 Mg\n0.067873 0.335729 0.832368 Mg\n0.664272 0.732144 0.832368 Mg\n0.067873 0.732144 0.832368 Mg\n0.267855 0.932127 0.832368 Mg\n0.664272 0.932127 0.832368 Mg\n0.267122 0.534245 0.832589 Mg\n0.465756 0.732878 0.832589 Mg\n0.267122 0.732878 0.832589 Mg\n0.066590 0.533295 0.832810 Mg\n0.466705 0.533295 0.832810 Mg\n0.466705 0.933410 0.832810 Mg\n0.667339 0.132799 0.833517 Mg\n0.465461 0.132800 0.833517 Mg\n0.465461 0.332661 0.833517 Mg\n0.867201 0.332661 0.833517 Mg\n0.867201 0.534539 0.833517 Mg\n0.667339 0.534540 0.833517 Mg\n0.666667 0.333333 0.833731 Mg\n0.263399 0.131699 0.835411 Mg\n0.868300 0.131700 0.835411 Mg\n0.868300 0.736601 0.835411 Mg\n",
"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-31782",
"created_at": "2022-09-04T14:49:01.307452Z",
"updated_at": "2022-09-04T14:49:01.307480Z",
"structure_string": "Tb1 Mg149\n1.0\n13.819719 -7.978822 0.000000\n0.000000 15.957644 0.000000\n0.000000 0.000000 15.622243\nMg Tb\n149 1\ndirect\n0.599941 0.199881 0.000000 Mg\n0.799519 0.200481 0.000000 Mg\n0.400962 0.200481 0.000000 Mg\n0.201370 0.204357 0.000000 Mg\n0.002987 0.204357 0.000000 Mg\n0.000141 0.399922 0.000000 Mg\n0.399781 0.399922 0.000000 Mg\n0.800119 0.400060 0.000000 Mg\n0.599941 0.400060 0.000000 Mg\n0.201511 0.403021 0.000000 Mg\n0.799519 0.599038 0.000000 Mg\n0.000141 0.600219 0.000000 Mg\n0.600079 0.600220 0.000000 Mg\n0.399777 0.600223 0.000000 Mg\n0.200446 0.600223 0.000000 Mg\n0.596979 0.798489 0.000000 Mg\n0.201511 0.798490 0.000000 Mg\n0.795643 0.798630 0.000000 Mg\n0.002987 0.798630 0.000000 Mg\n0.399777 0.799554 0.000000 Mg\n0.201370 0.997013 0.000000 Mg\n0.795643 0.997013 0.000000 Mg\n0.399781 0.999859 0.000000 Mg\n0.600079 0.999859 0.000000 Mg\n0.263484 0.131742 0.164656 Mg\n0.868258 0.131742 0.164656 Mg\n0.868258 0.736516 0.164656 Mg\n0.666667 0.333333 0.166319 Mg\n0.465475 0.132808 0.166507 Mg\n0.667333 0.132808 0.166507 Mg\n0.465475 0.332667 0.166507 Mg\n0.867192 0.332668 0.166507 Mg\n0.667333 0.534524 0.166507 Mg\n0.867192 0.534524 0.166507 Mg\n0.066598 0.533299 0.167264 Mg\n0.466701 0.533299 0.167264 Mg\n0.466701 0.933402 0.167264 Mg\n0.267154 0.534309 0.167461 Mg\n0.465691 0.732845 0.167461 Mg\n0.267154 0.732846 0.167461 Mg\n0.267803 0.335689 0.167643 Mg\n0.067886 0.335689 0.167643 Mg\n0.664311 0.732197 0.167643 Mg\n0.067886 0.732197 0.167643 Mg\n0.664311 0.932114 0.167643 Mg\n0.267803 0.932114 0.167643 Mg\n0.067604 0.135208 0.169066 Mg\n0.864792 0.932396 0.169066 Mg\n0.067604 0.932396 0.169066 Mg\n0.399889 0.199944 0.332890 Mg\n0.800056 0.199945 0.332890 Mg\n0.800056 0.600111 0.332890 Mg\n0.600081 0.200162 0.332938 Mg\n0.799838 0.399919 0.332938 Mg\n0.600081 0.399919 0.332938 Mg\n0.200424 0.200438 0.333393 Mg\n0.000000 0.200438 0.333393 Mg\n0.000000 0.799575 0.333393 Mg\n0.799563 0.799576 0.333393 Mg\n0.799563 0.000000 0.333393 Mg\n0.200424 0.000000 0.333393 Mg\n0.400437 0.000216 0.333740 Mg\n0.599780 0.000217 0.333740 Mg\n0.400437 0.400220 0.333740 Mg\n0.999784 0.400221 0.333740 Mg\n0.999784 0.599563 0.333740 Mg\n0.599780 0.599563 0.333740 Mg\n0.399976 0.600024 0.333885 Mg\n0.200049 0.600024 0.333885 Mg\n0.399976 0.799951 0.333885 Mg\n0.200314 0.400630 0.334141 Mg\n0.599370 0.799685 0.334141 Mg\n0.200314 0.799685 0.334141 Mg\n0.000000 0.000000 0.334431 Mg\n0.866497 0.133503 0.500000 Mg\n0.267006 0.133503 0.500000 Mg\n0.066799 0.133599 0.500000 Mg\n0.667068 0.134196 0.500000 Mg\n0.467129 0.134196 0.500000 Mg\n0.865803 0.332932 0.500000 Mg\n0.467129 0.332932 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266916 0.333663 0.500000 Mg\n0.066747 0.333663 0.500000 Mg\n0.865803 0.532871 0.500000 Mg\n0.667068 0.532872 0.500000 Mg\n0.066306 0.533153 0.500000 Mg\n0.466847 0.533153 0.500000 Mg\n0.266763 0.533526 0.500000 Mg\n0.866497 0.732994 0.500000 Mg\n0.066747 0.733083 0.500000 Mg\n0.666337 0.733083 0.500000 Mg\n0.466474 0.733237 0.500000 Mg\n0.266763 0.733237 0.500000 Mg\n0.866401 0.933200 0.500000 Mg\n0.066799 0.933200 0.500000 Mg\n0.266916 0.933253 0.500000 Mg\n0.666337 0.933253 0.500000 Mg\n0.466847 0.933693 0.500000 Mg\n0.000000 0.000000 0.665569 Mg\n0.200314 0.400630 0.665859 Mg\n0.599370 0.799685 0.665859 Mg\n0.200314 0.799685 0.665859 Mg\n0.399976 0.600024 0.666115 Mg\n0.200049 0.600024 0.666115 Mg\n0.399976 0.799951 0.666115 Mg\n0.400437 0.000216 0.666260 Mg\n0.599780 0.000217 0.666260 Mg\n0.400437 0.400220 0.666260 Mg\n0.999784 0.400221 0.666260 Mg\n0.999784 0.599563 0.666260 Mg\n0.599780 0.599563 0.666260 Mg\n0.200424 0.200438 0.666607 Mg\n0.000000 0.200438 0.666607 Mg\n0.000000 0.799575 0.666607 Mg\n0.799563 0.799576 0.666607 Mg\n0.799563 0.000000 0.666607 Mg\n0.200424 0.000000 0.666607 Mg\n0.600081 0.200162 0.667062 Mg\n0.799838 0.399919 0.667062 Mg\n0.600081 0.399919 0.667062 Mg\n0.399889 0.199944 0.667110 Mg\n0.800056 0.199945 0.667110 Mg\n0.800056 0.600111 0.667110 Mg\n0.067604 0.135208 0.830934 Mg\n0.864792 0.932396 0.830934 Mg\n0.067604 0.932396 0.830934 Mg\n0.267803 0.335689 0.832357 Mg\n0.067886 0.335689 0.832357 Mg\n0.664311 0.732197 0.832357 Mg\n0.067886 0.732197 0.832357 Mg\n0.664311 0.932114 0.832357 Mg\n0.267803 0.932114 0.832357 Mg\n0.267154 0.534309 0.832539 Mg\n0.465691 0.732845 0.832539 Mg\n0.267154 0.732846 0.832539 Mg\n0.066598 0.533299 0.832736 Mg\n0.466701 0.533299 0.832736 Mg\n0.466701 0.933402 0.832736 Mg\n0.465475 0.132808 0.833493 Mg\n0.667333 0.132808 0.833493 Mg\n0.465475 0.332667 0.833493 Mg\n0.867192 0.332668 0.833493 Mg\n0.667333 0.534524 0.833493 Mg\n0.867192 0.534524 0.833493 Mg\n0.666667 0.333333 0.833681 Mg\n0.263484 0.131742 0.835344 Mg\n0.868258 0.131742 0.835344 Mg\n0.868258 0.736516 0.835344 Mg\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Tb"
],
"chemical_system": "Mg-Tb",
"density": 1.8220994298396216,
"density_atomic": 0.04353914391880398,
"volume": 3445.1756855792696,
"volume_molar": 13.83155528099191,
"formula_full": "Tb1 Mg149",
"formula_reduced": "TbMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0045380857299966,
"spacegroup": 187
},
{
"id": "oqmd-31731",
"created_at": "2022-09-04T14:49:01.111586Z",
"updated_at": "2022-09-04T14:49:01.111616Z",
"structure_string": "Dy1 Mg149\n1.0\n13.819234 -7.978542 0.000000\n0.000000 15.957084 0.000000\n0.000000 0.000000 15.622718\nDy Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Dy\n0.599938 0.199876 0.000000 Mg\n0.799541 0.200459 0.000000 Mg\n0.400918 0.200459 0.000000 Mg\n0.002916 0.204104 0.000000 Mg\n0.201188 0.204104 0.000000 Mg\n0.000133 0.399893 0.000000 Mg\n0.399760 0.399893 0.000000 Mg\n0.800124 0.400062 0.000000 Mg\n0.599938 0.400062 0.000000 Mg\n0.201478 0.402956 0.000000 Mg\n0.799541 0.599082 0.000000 Mg\n0.200434 0.600217 0.000000 Mg\n0.399783 0.600217 0.000000 Mg\n0.000133 0.600240 0.000000 Mg\n0.600106 0.600240 0.000000 Mg\n0.201478 0.798522 0.000000 Mg\n0.597044 0.798522 0.000000 Mg\n0.002916 0.798812 0.000000 Mg\n0.795896 0.798812 0.000000 Mg\n0.399783 0.799566 0.000000 Mg\n0.795896 0.997084 0.000000 Mg\n0.201188 0.997084 0.000000 Mg\n0.399760 0.999866 0.000000 Mg\n0.600106 0.999867 0.000000 Mg\n0.263573 0.131787 0.164718 Mg\n0.868213 0.131787 0.164718 Mg\n0.868213 0.736427 0.164718 Mg\n0.666666 0.333333 0.166326 Mg\n0.465498 0.132819 0.166518 Mg\n0.667320 0.132819 0.166518 Mg\n0.465498 0.332680 0.166518 Mg\n0.867181 0.332680 0.166518 Mg\n0.667320 0.534501 0.166518 Mg\n0.867181 0.534501 0.166518 Mg\n0.066597 0.533298 0.167262 Mg\n0.466701 0.533299 0.167262 Mg\n0.466701 0.933403 0.167262 Mg\n0.267147 0.534292 0.167459 Mg\n0.465707 0.732854 0.167459 Mg\n0.267147 0.732854 0.167459 Mg\n0.267767 0.335630 0.167633 Mg\n0.067863 0.335630 0.167633 Mg\n0.067863 0.732233 0.167633 Mg\n0.664370 0.732233 0.167633 Mg\n0.267767 0.932136 0.167633 Mg\n0.664370 0.932137 0.167633 Mg\n0.067525 0.135050 0.168884 Mg\n0.864950 0.932475 0.168884 Mg\n0.067525 0.932475 0.168884 Mg\n0.399887 0.199943 0.332902 Mg\n0.800057 0.199944 0.332902 Mg\n0.800057 0.600113 0.332902 Mg\n0.600079 0.200158 0.332948 Mg\n0.600079 0.399921 0.332948 Mg\n0.799842 0.399921 0.332948 Mg\n0.000000 0.200421 0.333389 Mg\n0.200405 0.200421 0.333389 Mg\n0.000000 0.799594 0.333389 Mg\n0.799579 0.799594 0.333389 Mg\n0.200405 0.000000 0.333389 Mg\n0.799579 0.000000 0.333389 Mg\n0.400430 0.000216 0.333743 Mg\n0.599787 0.000216 0.333743 Mg\n0.999783 0.400214 0.333743 Mg\n0.400430 0.400214 0.333743 Mg\n0.999783 0.599570 0.333743 Mg\n0.599787 0.599570 0.333743 Mg\n0.399979 0.600020 0.333879 Mg\n0.200041 0.600020 0.333879 Mg\n0.399979 0.799959 0.333879 Mg\n0.200307 0.400614 0.334140 Mg\n0.200307 0.799692 0.334140 Mg\n0.599386 0.799693 0.334140 Mg\n0.000000 0.000000 0.334444 Mg\n0.267005 0.133503 0.500000 Mg\n0.866497 0.133503 0.500000 Mg\n0.066800 0.133599 0.500000 Mg\n0.467119 0.134176 0.500000 Mg\n0.667058 0.134177 0.500000 Mg\n0.467119 0.332942 0.500000 Mg\n0.865824 0.332942 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066748 0.333661 0.500000 Mg\n0.266913 0.333661 0.500000 Mg\n0.667058 0.532881 0.500000 Mg\n0.865824 0.532881 0.500000 Mg\n0.066318 0.533159 0.500000 Mg\n0.466841 0.533159 0.500000 Mg\n0.266762 0.533523 0.500000 Mg\n0.866497 0.732995 0.500000 Mg\n0.066748 0.733087 0.500000 Mg\n0.666339 0.733087 0.500000 Mg\n0.466477 0.733238 0.500000 Mg\n0.266762 0.733238 0.500000 Mg\n0.066800 0.933200 0.500000 Mg\n0.866401 0.933200 0.500000 Mg\n0.266913 0.933252 0.500000 Mg\n0.666339 0.933252 0.500000 Mg\n0.466841 0.933683 0.500000 Mg\n0.000000 0.000000 0.665556 Mg\n0.200307 0.400614 0.665860 Mg\n0.200307 0.799692 0.665860 Mg\n0.599386 0.799693 0.665860 Mg\n0.399979 0.600020 0.666121 Mg\n0.200041 0.600020 0.666121 Mg\n0.399979 0.799959 0.666121 Mg\n0.400430 0.000216 0.666257 Mg\n0.599787 0.000216 0.666257 Mg\n0.999783 0.400214 0.666257 Mg\n0.400430 0.400214 0.666257 Mg\n0.999783 0.599570 0.666257 Mg\n0.599787 0.599570 0.666257 Mg\n0.000000 0.200421 0.666611 Mg\n0.200405 0.200421 0.666611 Mg\n0.000000 0.799594 0.666611 Mg\n0.799579 0.799594 0.666611 Mg\n0.200405 0.000000 0.666611 Mg\n0.799579 0.000000 0.666611 Mg\n0.600079 0.200158 0.667052 Mg\n0.600079 0.399921 0.667052 Mg\n0.799842 0.399921 0.667052 Mg\n0.399887 0.199943 0.667098 Mg\n0.800057 0.199944 0.667098 Mg\n0.800057 0.600113 0.667098 Mg\n0.067525 0.135050 0.831116 Mg\n0.864950 0.932475 0.831116 Mg\n0.067525 0.932475 0.831116 Mg\n0.267767 0.335630 0.832367 Mg\n0.067863 0.335630 0.832367 Mg\n0.067863 0.732233 0.832367 Mg\n0.664370 0.732233 0.832367 Mg\n0.267767 0.932136 0.832367 Mg\n0.664370 0.932137 0.832367 Mg\n0.267147 0.534292 0.832541 Mg\n0.465707 0.732854 0.832541 Mg\n0.267147 0.732854 0.832541 Mg\n0.066597 0.533298 0.832738 Mg\n0.466701 0.533299 0.832738 Mg\n0.466701 0.933403 0.832738 Mg\n0.465498 0.132819 0.833482 Mg\n0.667320 0.132819 0.833482 Mg\n0.465498 0.332680 0.833482 Mg\n0.867181 0.332680 0.833482 Mg\n0.667320 0.534501 0.833482 Mg\n0.867181 0.534501 0.833482 Mg\n0.666666 0.333333 0.833673 Mg\n0.263573 0.131787 0.835282 Mg\n0.868213 0.131787 0.835282 Mg\n0.868213 0.736427 0.835282 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Dy",
"Mg"
],
"chemical_system": "Dy-Mg",
"density": 1.8238949345959206,
"density_atomic": 0.04354087611494106,
"volume": 3445.0386254062414,
"volume_molar": 13.831005017222198,
"formula_full": "Dy1 Mg149",
"formula_reduced": "DyMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0001988421166633,
"spacegroup": 187
},
{
"id": "oqmd-31792",
"created_at": "2022-09-04T14:49:02.124352Z",
"updated_at": "2022-09-04T14:49:02.124390Z",
"structure_string": "Y1 Mg149\n1.0\n13.816359 -7.976883 0.000000\n0.000000 15.953765 0.000000\n0.000000 0.000000 15.621689\nMg Y\n149 1\ndirect\n0.599939 0.199878 0.000000 Mg\n0.799524 0.200476 0.000000 Mg\n0.400952 0.200476 0.000000 Mg\n0.002928 0.204313 0.000000 Mg\n0.201385 0.204313 0.000000 Mg\n0.000117 0.399922 0.000000 Mg\n0.399806 0.399922 0.000000 Mg\n0.800122 0.400061 0.000000 Mg\n0.599939 0.400061 0.000000 Mg\n0.201494 0.402988 0.000000 Mg\n0.799524 0.599047 0.000000 Mg\n0.000117 0.600194 0.000000 Mg\n0.600078 0.600194 0.000000 Mg\n0.200430 0.600215 0.000000 Mg\n0.399785 0.600215 0.000000 Mg\n0.201494 0.798506 0.000000 Mg\n0.597012 0.798506 0.000000 Mg\n0.795687 0.798615 0.000000 Mg\n0.002928 0.798615 0.000000 Mg\n0.399785 0.799570 0.000000 Mg\n0.201385 0.997072 0.000000 Mg\n0.795687 0.997073 0.000000 Mg\n0.600078 0.999884 0.000000 Mg\n0.399806 0.999884 0.000000 Mg\n0.868185 0.131815 0.164733 Mg\n0.263630 0.131815 0.164733 Mg\n0.868185 0.736370 0.164733 Mg\n0.666667 0.333333 0.166336 Mg\n0.667311 0.132830 0.166520 Mg\n0.465519 0.132831 0.166520 Mg\n0.465519 0.332688 0.166520 Mg\n0.867170 0.332689 0.166520 Mg\n0.867170 0.534481 0.166520 Mg\n0.667311 0.534481 0.166520 Mg\n0.466702 0.533298 0.167239 Mg\n0.066596 0.533298 0.167239 Mg\n0.466702 0.933404 0.167239 Mg\n0.267148 0.534296 0.167461 Mg\n0.267148 0.732852 0.167461 Mg\n0.465704 0.732852 0.167461 Mg\n0.067864 0.335659 0.167650 Mg\n0.267795 0.335659 0.167650 Mg\n0.067864 0.732205 0.167650 Mg\n0.664341 0.732205 0.167650 Mg\n0.664341 0.932136 0.167650 Mg\n0.267795 0.932136 0.167650 Mg\n0.067597 0.135193 0.169045 Mg\n0.864807 0.932404 0.169045 Mg\n0.067597 0.932404 0.169045 Mg\n0.399910 0.199955 0.332910 Mg\n0.800045 0.199955 0.332910 Mg\n0.800045 0.600090 0.332910 Mg\n0.600080 0.200159 0.332953 Mg\n0.799840 0.399920 0.332953 Mg\n0.600080 0.399920 0.332953 Mg\n0.200441 0.000000 0.333408 Mg\n0.799564 0.000000 0.333408 Mg\n0.000000 0.200436 0.333408 Mg\n0.200441 0.200437 0.333408 Mg\n0.799564 0.799558 0.333408 Mg\n0.000000 0.799559 0.333408 Mg\n0.400446 0.000220 0.333740 Mg\n0.599775 0.000221 0.333740 Mg\n0.999779 0.400225 0.333740 Mg\n0.400446 0.400225 0.333740 Mg\n0.599775 0.599554 0.333740 Mg\n0.999779 0.599555 0.333740 Mg\n0.399977 0.600023 0.333878 Mg\n0.200046 0.600023 0.333878 Mg\n0.399977 0.799954 0.333878 Mg\n0.200321 0.400640 0.334148 Mg\n0.599360 0.799680 0.334148 Mg\n0.200321 0.799680 0.334148 Mg\n0.000000 0.000000 0.334497 Mg\n0.866498 0.133502 0.500000 Mg\n0.267004 0.133502 0.500000 Mg\n0.066806 0.133612 0.500000 Mg\n0.467119 0.134166 0.500000 Mg\n0.667046 0.134166 0.500000 Mg\n0.467119 0.332954 0.500000 Mg\n0.865834 0.332954 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066747 0.333657 0.500000 Mg\n0.266910 0.333657 0.500000 Mg\n0.667046 0.532880 0.500000 Mg\n0.865834 0.532881 0.500000 Mg\n0.466836 0.533164 0.500000 Mg\n0.066328 0.533164 0.500000 Mg\n0.266765 0.533529 0.500000 Mg\n0.866498 0.732997 0.500000 Mg\n0.666343 0.733090 0.500000 Mg\n0.066747 0.733090 0.500000 Mg\n0.466470 0.733235 0.500000 Mg\n0.266765 0.733235 0.500000 Mg\n0.066806 0.933194 0.500000 Mg\n0.866388 0.933194 0.500000 Mg\n0.666343 0.933253 0.500000 Mg\n0.266910 0.933253 0.500000 Mg\n0.466836 0.933672 0.500000 Mg\n0.000000 0.000000 0.665503 Mg\n0.200321 0.400640 0.665852 Mg\n0.599360 0.799680 0.665852 Mg\n0.200321 0.799680 0.665852 Mg\n0.399977 0.600023 0.666121 Mg\n0.200046 0.600023 0.666121 Mg\n0.399977 0.799954 0.666121 Mg\n0.400446 0.000220 0.666260 Mg\n0.599775 0.000221 0.666260 Mg\n0.999779 0.400225 0.666260 Mg\n0.400446 0.400225 0.666260 Mg\n0.599775 0.599554 0.666260 Mg\n0.999779 0.599555 0.666260 Mg\n0.200441 0.000000 0.666592 Mg\n0.799564 0.000000 0.666592 Mg\n0.000000 0.200436 0.666592 Mg\n0.200441 0.200437 0.666592 Mg\n0.799564 0.799558 0.666592 Mg\n0.000000 0.799559 0.666592 Mg\n0.600080 0.200159 0.667046 Mg\n0.799840 0.399920 0.667046 Mg\n0.600080 0.399920 0.667046 Mg\n0.399910 0.199955 0.667090 Mg\n0.800045 0.199955 0.667090 Mg\n0.800045 0.600090 0.667090 Mg\n0.067597 0.135193 0.830955 Mg\n0.864807 0.932404 0.830955 Mg\n0.067597 0.932404 0.830955 Mg\n0.067864 0.335659 0.832350 Mg\n0.267795 0.335659 0.832350 Mg\n0.067864 0.732205 0.832350 Mg\n0.664341 0.732205 0.832350 Mg\n0.664341 0.932136 0.832350 Mg\n0.267795 0.932136 0.832350 Mg\n0.267148 0.534296 0.832539 Mg\n0.267148 0.732852 0.832539 Mg\n0.465704 0.732852 0.832539 Mg\n0.466702 0.533298 0.832761 Mg\n0.066596 0.533298 0.832761 Mg\n0.466702 0.933404 0.832761 Mg\n0.667311 0.132830 0.833480 Mg\n0.465519 0.132831 0.833480 Mg\n0.465519 0.332688 0.833480 Mg\n0.867170 0.332689 0.833480 Mg\n0.867170 0.534481 0.833480 Mg\n0.667311 0.534481 0.833480 Mg\n0.666667 0.333333 0.833664 Mg\n0.868185 0.131815 0.835266 Mg\n0.263630 0.131815 0.835266 Mg\n0.868185 0.736370 0.835266 Mg\n0.000000 0.000000 0.000000 Y\n",
"nsites": 150,
"nelements": 2,
"elements": [
"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-31788",
"created_at": "2022-09-04T14:49:03.083751Z",
"updated_at": "2022-09-04T14:49:03.083772Z",
"structure_string": "Tm1 Mg149\n1.0\n13.812457 -7.974630 0.000000\n0.000000 15.949258 0.000000\n0.000000 0.000000 15.628683\nMg Tm\n149 1\ndirect\n0.599857 0.199715 0.000000 Mg\n0.799527 0.200473 0.000000 Mg\n0.400947 0.200473 0.000000 Mg\n0.002558 0.203312 0.000000 Mg\n0.200754 0.203312 0.000000 Mg\n0.000134 0.399879 0.000000 Mg\n0.399745 0.399879 0.000000 Mg\n0.599857 0.400143 0.000000 Mg\n0.800286 0.400143 0.000000 Mg\n0.201261 0.402522 0.000000 Mg\n0.799527 0.599054 0.000000 Mg\n0.399851 0.600149 0.000000 Mg\n0.200298 0.600149 0.000000 Mg\n0.000134 0.600255 0.000000 Mg\n0.600121 0.600255 0.000000 Mg\n0.597478 0.798739 0.000000 Mg\n0.201261 0.798740 0.000000 Mg\n0.002558 0.799246 0.000000 Mg\n0.796688 0.799246 0.000000 Mg\n0.399851 0.799702 0.000000 Mg\n0.200754 0.997442 0.000000 Mg\n0.796688 0.997442 0.000000 Mg\n0.399745 0.999866 0.000000 Mg\n0.600121 0.999866 0.000000 Mg\n0.867998 0.132001 0.164933 Mg\n0.264003 0.132002 0.164933 Mg\n0.867998 0.735997 0.164933 Mg\n0.666666 0.333333 0.166269 Mg\n0.667236 0.132857 0.166490 Mg\n0.465621 0.132857 0.166490 Mg\n0.867143 0.332764 0.166490 Mg\n0.465621 0.332764 0.166490 Mg\n0.667236 0.534379 0.166490 Mg\n0.867143 0.534379 0.166490 Mg\n0.466711 0.533289 0.167087 Mg\n0.066578 0.533289 0.167087 Mg\n0.466711 0.933422 0.167087 Mg\n0.267039 0.534077 0.167338 Mg\n0.465923 0.732962 0.167338 Mg\n0.267039 0.732962 0.167338 Mg\n0.067724 0.335303 0.167482 Mg\n0.267579 0.335303 0.167482 Mg\n0.067724 0.732421 0.167482 Mg\n0.664696 0.732421 0.167482 Mg\n0.664696 0.932275 0.167482 Mg\n0.267579 0.932275 0.167482 Mg\n0.067320 0.134640 0.168410 Mg\n0.067320 0.932680 0.168410 Mg\n0.865360 0.932680 0.168410 Mg\n0.600046 0.200092 0.332953 Mg\n0.600046 0.399954 0.332953 Mg\n0.799908 0.399954 0.332953 Mg\n0.399793 0.199897 0.332969 Mg\n0.800103 0.199897 0.332969 Mg\n0.800103 0.600206 0.332969 Mg\n0.200292 0.000000 0.333266 Mg\n0.799715 0.000000 0.333266 Mg\n0.000000 0.200284 0.333266 Mg\n0.200292 0.200285 0.333266 Mg\n0.799715 0.799708 0.333266 Mg\n0.000000 0.799708 0.333266 Mg\n0.400277 0.000189 0.333607 Mg\n0.599913 0.000190 0.333607 Mg\n0.999811 0.400088 0.333607 Mg\n0.400277 0.400088 0.333607 Mg\n0.999811 0.599723 0.333607 Mg\n0.599913 0.599723 0.333607 Mg\n0.199986 0.599993 0.333853 Mg\n0.400007 0.599993 0.333853 Mg\n0.400007 0.800014 0.333853 Mg\n0.200260 0.400520 0.334031 Mg\n0.200260 0.799740 0.334031 Mg\n0.599480 0.799740 0.334031 Mg\n0.000000 0.000000 0.334424 Mg\n0.266801 0.133401 0.500000 Mg\n0.866600 0.133401 0.500000 Mg\n0.066767 0.133533 0.500000 Mg\n0.667023 0.134121 0.500000 Mg\n0.467099 0.134121 0.500000 Mg\n0.865879 0.332978 0.500000 Mg\n0.467099 0.332978 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066620 0.333428 0.500000 Mg\n0.266808 0.333429 0.500000 Mg\n0.667023 0.532901 0.500000 Mg\n0.865879 0.532902 0.500000 Mg\n0.066239 0.533119 0.500000 Mg\n0.466881 0.533120 0.500000 Mg\n0.266714 0.533427 0.500000 Mg\n0.066620 0.733191 0.500000 Mg\n0.666571 0.733192 0.500000 Mg\n0.866600 0.733199 0.500000 Mg\n0.466572 0.733286 0.500000 Mg\n0.266714 0.733286 0.500000 Mg\n0.066767 0.933233 0.500000 Mg\n0.866466 0.933233 0.500000 Mg\n0.266808 0.933380 0.500000 Mg\n0.666571 0.933380 0.500000 Mg\n0.466881 0.933761 0.500000 Mg\n0.000000 0.000000 0.665576 Mg\n0.200260 0.400520 0.665969 Mg\n0.200260 0.799740 0.665969 Mg\n0.599480 0.799740 0.665969 Mg\n0.199986 0.599993 0.666147 Mg\n0.400007 0.599993 0.666147 Mg\n0.400007 0.800014 0.666147 Mg\n0.400277 0.000189 0.666393 Mg\n0.599913 0.000190 0.666393 Mg\n0.999811 0.400088 0.666393 Mg\n0.400277 0.400088 0.666393 Mg\n0.999811 0.599723 0.666393 Mg\n0.599913 0.599723 0.666393 Mg\n0.200292 0.000000 0.666734 Mg\n0.799715 0.000000 0.666734 Mg\n0.000000 0.200284 0.666734 Mg\n0.200292 0.200285 0.666734 Mg\n0.799715 0.799708 0.666734 Mg\n0.000000 0.799708 0.666734 Mg\n0.399793 0.199897 0.667031 Mg\n0.800103 0.199897 0.667031 Mg\n0.800103 0.600206 0.667031 Mg\n0.600046 0.200092 0.667047 Mg\n0.600046 0.399954 0.667047 Mg\n0.799908 0.399954 0.667047 Mg\n0.067320 0.134640 0.831591 Mg\n0.067320 0.932680 0.831591 Mg\n0.865360 0.932680 0.831591 Mg\n0.067724 0.335303 0.832518 Mg\n0.267579 0.335303 0.832518 Mg\n0.067724 0.732421 0.832518 Mg\n0.664696 0.732421 0.832518 Mg\n0.664696 0.932275 0.832518 Mg\n0.267579 0.932275 0.832518 Mg\n0.267039 0.534077 0.832661 Mg\n0.465923 0.732962 0.832661 Mg\n0.267039 0.732962 0.832661 Mg\n0.466711 0.533289 0.832913 Mg\n0.066578 0.533289 0.832913 Mg\n0.466711 0.933422 0.832913 Mg\n0.667236 0.132857 0.833510 Mg\n0.465621 0.132857 0.833510 Mg\n0.867143 0.332764 0.833510 Mg\n0.465621 0.332764 0.833510 Mg\n0.667236 0.534379 0.833510 Mg\n0.867143 0.534379 0.833510 Mg\n0.666666 0.333333 0.833731 Mg\n0.867998 0.132001 0.835067 Mg\n0.264003 0.132002 0.835067 Mg\n0.867998 0.735997 0.835067 Mg\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Tm"
],
"chemical_system": "Mg-Tm",
"density": 1.8280916038245205,
"density_atomic": 0.04356697979650128,
"volume": 3442.9744889510566,
"volume_molar": 13.822718003701555,
"formula_full": "Tm1 Mg149",
"formula_reduced": "TmMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0004976780944411,
"spacegroup": 187
},
{
"id": "oqmd-31742",
"created_at": "2022-09-04T14:49:00.579922Z",
"updated_at": "2022-09-04T14:49:00.579954Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Ho",
"Mg"
],
"chemical_system": "Ho-Mg",
"density": 1.8267056147287415,
"density_atomic": 0.043579983809345704,
"volume": 3441.9471254560813,
"volume_molar": 13.818593385315934,
"formula_full": "Ho1 Mg149",
"formula_reduced": "HoMg149",
"formula_anonymous": "AB149",
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"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",
"formula_reduced": "ErMg149",
"formula_anonymous": "AB149",
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"spacegroup": 187
},
{
"id": "oqmd-31721",
"created_at": "2022-09-04T14:49:00.869477Z",
"updated_at": "2022-09-04T14:49:00.869505Z",
"structure_string": "Mg149 Br1\n1.0\n13.803647 -7.969543 0.000000\n0.000000 15.939087 0.000000\n0.000000 0.000000 15.637416\nBr Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Br\n0.204426 0.000960 0.000000 Mg\n0.796534 0.000960 0.000000 Mg\n0.400744 0.200372 0.000000 Mg\n0.799628 0.200372 0.000000 Mg\n0.600299 0.200599 0.000000 Mg\n0.204426 0.203466 0.000000 Mg\n0.999040 0.203466 0.000000 Mg\n0.600299 0.399700 0.000000 Mg\n0.799401 0.399701 0.000000 Mg\n0.199861 0.399721 0.000000 Mg\n0.401257 0.401791 0.000000 Mg\n0.000534 0.401791 0.000000 Mg\n0.598209 0.598743 0.000000 Mg\n0.000534 0.598743 0.000000 Mg\n0.799628 0.599256 0.000000 Mg\n0.200621 0.600310 0.000000 Mg\n0.399689 0.600310 0.000000 Mg\n0.796534 0.795574 0.000000 Mg\n0.999040 0.795574 0.000000 Mg\n0.399689 0.799379 0.000000 Mg\n0.600279 0.800139 0.000000 Mg\n0.199861 0.800139 0.000000 Mg\n0.598209 0.999467 0.000000 Mg\n0.401257 0.999467 0.000000 Mg\n0.666667 0.333333 0.166161 Mg\n0.466324 0.133105 0.166260 Mg\n0.666781 0.133105 0.166260 Mg\n0.466324 0.333219 0.166260 Mg\n0.866896 0.333219 0.166260 Mg\n0.666781 0.533676 0.166260 Mg\n0.866896 0.533676 0.166260 Mg\n0.266572 0.533144 0.166474 Mg\n0.466856 0.733428 0.166474 Mg\n0.266572 0.733428 0.166474 Mg\n0.266820 0.333316 0.166657 Mg\n0.066496 0.333316 0.166657 Mg\n0.666684 0.733180 0.166657 Mg\n0.066496 0.733180 0.166657 Mg\n0.666684 0.933504 0.166657 Mg\n0.266820 0.933504 0.166657 Mg\n0.867197 0.132803 0.166925 Mg\n0.265606 0.132803 0.166925 Mg\n0.867197 0.734394 0.166925 Mg\n0.466567 0.533433 0.167046 Mg\n0.066866 0.533433 0.167046 Mg\n0.466567 0.933134 0.167046 Mg\n0.067762 0.135524 0.170096 Mg\n0.864476 0.932238 0.170096 Mg\n0.067762 0.932238 0.170096 Mg\n0.000000 0.000000 0.332075 Mg\n0.800039 0.199961 0.332882 Mg\n0.399923 0.199961 0.332882 Mg\n0.800039 0.600078 0.332882 Mg\n0.600036 0.200072 0.332988 Mg\n0.799928 0.399964 0.332988 Mg\n0.600036 0.399964 0.332988 Mg\n0.199860 0.399719 0.333005 Mg\n0.199860 0.800140 0.333005 Mg\n0.600280 0.800140 0.333005 Mg\n0.200029 0.600014 0.333285 Mg\n0.399986 0.600014 0.333285 Mg\n0.399986 0.799971 0.333285 Mg\n0.400194 0.000000 0.333394 Mg\n0.599881 0.000000 0.333394 Mg\n0.400194 0.400119 0.333394 Mg\n0.000000 0.400119 0.333394 Mg\n0.599881 0.599807 0.333394 Mg\n0.000000 0.599807 0.333394 Mg\n0.799537 0.000000 0.334503 Mg\n0.200529 0.000000 0.334503 Mg\n0.200529 0.200463 0.334503 Mg\n0.000000 0.200463 0.334503 Mg\n0.799537 0.799471 0.334503 Mg\n0.000000 0.799471 0.334503 Mg\n0.066560 0.133120 0.500000 Mg\n0.266995 0.133497 0.500000 Mg\n0.866503 0.133498 0.500000 Mg\n0.466846 0.133570 0.500000 Mg\n0.666724 0.133570 0.500000 Mg\n0.466846 0.333276 0.500000 Mg\n0.866430 0.333277 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066854 0.333570 0.500000 Mg\n0.266716 0.333570 0.500000 Mg\n0.666724 0.533154 0.500000 Mg\n0.866430 0.533154 0.500000 Mg\n0.066830 0.533415 0.500000 Mg\n0.466585 0.533415 0.500000 Mg\n0.266766 0.533532 0.500000 Mg\n0.866503 0.733005 0.500000 Mg\n0.466468 0.733234 0.500000 Mg\n0.266766 0.733234 0.500000 Mg\n0.666430 0.733284 0.500000 Mg\n0.066854 0.733284 0.500000 Mg\n0.266716 0.933146 0.500000 Mg\n0.666430 0.933146 0.500000 Mg\n0.466585 0.933170 0.500000 Mg\n0.866880 0.933440 0.500000 Mg\n0.066560 0.933440 0.500000 Mg\n0.799537 0.000000 0.665496 Mg\n0.200529 0.000000 0.665496 Mg\n0.200529 0.200463 0.665496 Mg\n0.000000 0.200463 0.665496 Mg\n0.799537 0.799471 0.665496 Mg\n0.000000 0.799471 0.665496 Mg\n0.400194 0.000000 0.666606 Mg\n0.599881 0.000000 0.666606 Mg\n0.400194 0.400119 0.666606 Mg\n0.000000 0.400119 0.666606 Mg\n0.599881 0.599807 0.666606 Mg\n0.000000 0.599807 0.666606 Mg\n0.200029 0.600014 0.666714 Mg\n0.399986 0.600014 0.666714 Mg\n0.399986 0.799971 0.666714 Mg\n0.199860 0.399719 0.666995 Mg\n0.199860 0.800140 0.666995 Mg\n0.600280 0.800140 0.666995 Mg\n0.600036 0.200072 0.667012 Mg\n0.799928 0.399964 0.667012 Mg\n0.600036 0.399964 0.667012 Mg\n0.800039 0.199961 0.667118 Mg\n0.399923 0.199961 0.667118 Mg\n0.800039 0.600078 0.667118 Mg\n0.000000 0.000000 0.667924 Mg\n0.067762 0.135524 0.829904 Mg\n0.864476 0.932238 0.829904 Mg\n0.067762 0.932238 0.829904 Mg\n0.466567 0.533433 0.832955 Mg\n0.066866 0.533433 0.832955 Mg\n0.466567 0.933134 0.832955 Mg\n0.867197 0.132803 0.833075 Mg\n0.265606 0.132803 0.833075 Mg\n0.867197 0.734394 0.833075 Mg\n0.266820 0.333316 0.833344 Mg\n0.066496 0.333316 0.833344 Mg\n0.666684 0.733180 0.833344 Mg\n0.066496 0.733180 0.833344 Mg\n0.666684 0.933504 0.833344 Mg\n0.266820 0.933504 0.833344 Mg\n0.266572 0.533144 0.833526 Mg\n0.466856 0.733428 0.833526 Mg\n0.266572 0.733428 0.833526 Mg\n0.466324 0.133105 0.833741 Mg\n0.666781 0.133105 0.833741 Mg\n0.466324 0.333219 0.833741 Mg\n0.866896 0.333219 0.833741 Mg\n0.666781 0.533676 0.833741 Mg\n0.866896 0.533676 0.833741 Mg\n0.666667 0.333333 0.833839 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Br",
"Mg"
],
"chemical_system": "Br-Mg",
"density": 1.7864335179727848,
"density_atomic": 0.043598242589385196,
"volume": 3440.5056509438364,
"volume_molar": 13.812806210372806,
"formula_full": "Mg149 Br1",
"formula_reduced": "Mg149Br",
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"nsites": 150,
"nelements": 2,
"elements": [
"Lu",
"Mg"
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"chemical_system": "Lu-Mg",
"density": 1.8324376863651188,
"density_atomic": 0.04360115953576565,
"volume": 3440.2754788426287,
"volume_molar": 13.81188212451114,
"formula_full": "Lu1 Mg149",
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{
"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",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Te",
"density": 1.8098096154290595,
"density_atomic": 0.04360681822976932,
"volume": 3439.8290471373725,
"volume_molar": 13.810089808131956,
"formula_full": "Mg149 Te1",
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},
{
"id": "oqmd-31720",
"created_at": "2022-09-04T14:51:16.184529Z",
"updated_at": "2022-09-04T14:51:16.184548Z",
"structure_string": "Mg149 Bi1\n1.0\n13.794267 -7.964128 0.000000\n0.000000 15.928256 0.000000\n0.000000 0.000000 15.643860\nBi Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Bi\n0.797090 0.000969 0.000000 Mg\n0.203879 0.000969 0.000000 Mg\n0.799713 0.200286 0.000000 Mg\n0.400573 0.200286 0.000000 Mg\n0.600191 0.200381 0.000000 Mg\n0.203879 0.202910 0.000000 Mg\n0.999031 0.202910 0.000000 Mg\n0.199765 0.399529 0.000000 Mg\n0.799619 0.399810 0.000000 Mg\n0.600191 0.399810 0.000000 Mg\n0.000230 0.401324 0.000000 Mg\n0.401094 0.401324 0.000000 Mg\n0.000230 0.598906 0.000000 Mg\n0.598676 0.598906 0.000000 Mg\n0.799713 0.599427 0.000000 Mg\n0.399944 0.600056 0.000000 Mg\n0.200113 0.600057 0.000000 Mg\n0.797090 0.796121 0.000000 Mg\n0.999031 0.796121 0.000000 Mg\n0.399944 0.799887 0.000000 Mg\n0.199765 0.800235 0.000000 Mg\n0.600471 0.800236 0.000000 Mg\n0.598676 0.999770 0.000000 Mg\n0.401094 0.999770 0.000000 Mg\n0.466759 0.133323 0.166411 Mg\n0.666564 0.133323 0.166411 Mg\n0.466759 0.333436 0.166411 Mg\n0.866677 0.333436 0.166411 Mg\n0.666564 0.533241 0.166411 Mg\n0.866677 0.533241 0.166411 Mg\n0.666667 0.333333 0.166461 Mg\n0.266571 0.533142 0.166511 Mg\n0.266571 0.733429 0.166511 Mg\n0.466858 0.733429 0.166511 Mg\n0.066362 0.333123 0.166612 Mg\n0.266762 0.333123 0.166612 Mg\n0.666876 0.733238 0.166612 Mg\n0.066362 0.733239 0.166612 Mg\n0.666876 0.933638 0.166612 Mg\n0.266762 0.933638 0.166612 Mg\n0.466574 0.533426 0.166690 Mg\n0.066852 0.533426 0.166690 Mg\n0.466574 0.933148 0.166690 Mg\n0.267006 0.133503 0.167214 Mg\n0.866497 0.133503 0.167214 Mg\n0.866497 0.732994 0.167214 Mg\n0.067743 0.135487 0.169922 Mg\n0.864513 0.932257 0.169922 Mg\n0.067743 0.932257 0.169922 Mg\n0.199849 0.399698 0.333034 Mg\n0.199849 0.800151 0.333034 Mg\n0.600302 0.800151 0.333034 Mg\n0.799924 0.200076 0.333130 Mg\n0.400152 0.200076 0.333130 Mg\n0.799924 0.599847 0.333130 Mg\n0.600022 0.200043 0.333197 Mg\n0.799957 0.399978 0.333197 Mg\n0.600022 0.399978 0.333197 Mg\n0.400032 0.000000 0.333259 Mg\n0.600039 0.000000 0.333259 Mg\n0.000000 0.399961 0.333259 Mg\n0.400032 0.399961 0.333259 Mg\n0.000000 0.599968 0.333259 Mg\n0.600039 0.599968 0.333259 Mg\n0.399984 0.600015 0.333309 Mg\n0.200031 0.600016 0.333309 Mg\n0.399984 0.799969 0.333309 Mg\n0.000000 0.000000 0.333615 Mg\n0.799894 0.000247 0.334178 Mg\n0.200354 0.000247 0.334178 Mg\n0.999753 0.200106 0.334178 Mg\n0.200354 0.200106 0.334178 Mg\n0.799894 0.799647 0.334178 Mg\n0.999753 0.799647 0.334178 Mg\n0.466792 0.133304 0.500000 Mg\n0.666512 0.133304 0.500000 Mg\n0.066671 0.133343 0.500000 Mg\n0.266841 0.133421 0.500000 Mg\n0.866580 0.133421 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066761 0.333412 0.500000 Mg\n0.266651 0.333412 0.500000 Mg\n0.866696 0.333488 0.500000 Mg\n0.466792 0.333488 0.500000 Mg\n0.866696 0.533208 0.500000 Mg\n0.666512 0.533208 0.500000 Mg\n0.466566 0.533434 0.500000 Mg\n0.066868 0.533434 0.500000 Mg\n0.266727 0.533454 0.500000 Mg\n0.866580 0.733159 0.500000 Mg\n0.266727 0.733273 0.500000 Mg\n0.466546 0.733273 0.500000 Mg\n0.066761 0.733349 0.500000 Mg\n0.666588 0.733349 0.500000 Mg\n0.466566 0.933132 0.500000 Mg\n0.266651 0.933239 0.500000 Mg\n0.666588 0.933239 0.500000 Mg\n0.066671 0.933329 0.500000 Mg\n0.866657 0.933329 0.500000 Mg\n0.799894 0.000247 0.665822 Mg\n0.200354 0.000247 0.665822 Mg\n0.999753 0.200106 0.665822 Mg\n0.200354 0.200106 0.665822 Mg\n0.799894 0.799647 0.665822 Mg\n0.999753 0.799647 0.665822 Mg\n0.000000 0.000000 0.666385 Mg\n0.399984 0.600015 0.666691 Mg\n0.200031 0.600016 0.666691 Mg\n0.399984 0.799969 0.666691 Mg\n0.400032 0.000000 0.666741 Mg\n0.600039 0.000000 0.666741 Mg\n0.000000 0.399961 0.666741 Mg\n0.400032 0.399961 0.666741 Mg\n0.000000 0.599968 0.666741 Mg\n0.600039 0.599968 0.666741 Mg\n0.600022 0.200043 0.666803 Mg\n0.799957 0.399978 0.666803 Mg\n0.600022 0.399978 0.666803 Mg\n0.799924 0.200076 0.666870 Mg\n0.400152 0.200076 0.666870 Mg\n0.799924 0.599847 0.666870 Mg\n0.199849 0.399698 0.666966 Mg\n0.199849 0.800151 0.666966 Mg\n0.600302 0.800151 0.666966 Mg\n0.067743 0.135487 0.830078 Mg\n0.864513 0.932257 0.830078 Mg\n0.067743 0.932257 0.830078 Mg\n0.267006 0.133503 0.832786 Mg\n0.866497 0.133503 0.832786 Mg\n0.866497 0.732994 0.832786 Mg\n0.466574 0.533426 0.833310 Mg\n0.066852 0.533426 0.833310 Mg\n0.466574 0.933148 0.833310 Mg\n0.066362 0.333123 0.833388 Mg\n0.266762 0.333123 0.833388 Mg\n0.666876 0.733238 0.833388 Mg\n0.066362 0.733239 0.833388 Mg\n0.666876 0.933638 0.833388 Mg\n0.266762 0.933638 0.833388 Mg\n0.266571 0.533142 0.833489 Mg\n0.266571 0.733429 0.833489 Mg\n0.466858 0.733429 0.833489 Mg\n0.666667 0.333333 0.833539 Mg\n0.466759 0.133323 0.833589 Mg\n0.666564 0.133323 0.833589 Mg\n0.466759 0.333436 0.833589 Mg\n0.866677 0.333436 0.833589 Mg\n0.666564 0.533241 0.833589 Mg\n0.866677 0.533241 0.833589 Mg\n",
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"nelements": 2,
"elements": [
"Bi",
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],
"chemical_system": "Bi-Mg",
"density": 1.8504839830101447,
"density_atomic": 0.04363957208380937,
"volume": 3437.2472697928033,
"volume_molar": 13.799724590411973,
"formula_full": "Mg149 Bi1",
"formula_reduced": "Mg149Bi",
"formula_anonymous": "AB149",
"formation_energy": -0.001415866605559,
"spacegroup": 187
},
{
"id": "oqmd-31763",
"created_at": "2022-09-04T14:49:00.749418Z",
"updated_at": "2022-09-04T14:49:00.749451Z",
"structure_string": "Mg149 Pb1\n1.0\n13.789522 -7.961387 0.000000\n0.000000 15.922776 0.000000\n0.000000 0.000000 15.645299\nMg Pb\n149 1\ndirect\n0.202838 0.000592 0.000000 Mg\n0.797754 0.000592 0.000000 Mg\n0.799769 0.200231 0.000000 Mg\n0.400462 0.200231 0.000000 Mg\n0.600129 0.200258 0.000000 Mg\n0.999408 0.202246 0.000000 Mg\n0.202838 0.202246 0.000000 Mg\n0.199864 0.399728 0.000000 Mg\n0.600129 0.399870 0.000000 Mg\n0.799742 0.399871 0.000000 Mg\n0.400732 0.400860 0.000000 Mg\n0.000128 0.400860 0.000000 Mg\n0.599140 0.599268 0.000000 Mg\n0.000128 0.599268 0.000000 Mg\n0.799769 0.599538 0.000000 Mg\n0.399989 0.600011 0.000000 Mg\n0.200022 0.600011 0.000000 Mg\n0.999408 0.797162 0.000000 Mg\n0.797754 0.797163 0.000000 Mg\n0.399989 0.799978 0.000000 Mg\n0.199864 0.800135 0.000000 Mg\n0.600271 0.800136 0.000000 Mg\n0.400732 0.999872 0.000000 Mg\n0.599140 0.999872 0.000000 Mg\n0.466787 0.133342 0.166547 Mg\n0.666555 0.133343 0.166547 Mg\n0.466787 0.333445 0.166547 Mg\n0.866657 0.333445 0.166547 Mg\n0.866657 0.533213 0.166547 Mg\n0.666555 0.533213 0.166547 Mg\n0.666666 0.333333 0.166601 Mg\n0.066515 0.333246 0.166710 Mg\n0.266732 0.333246 0.166710 Mg\n0.066515 0.733269 0.166710 Mg\n0.666754 0.733269 0.166710 Mg\n0.666754 0.933485 0.166710 Mg\n0.266732 0.933486 0.166710 Mg\n0.266639 0.533279 0.166764 Mg\n0.266639 0.733360 0.166764 Mg\n0.466720 0.733360 0.166764 Mg\n0.466591 0.533409 0.166768 Mg\n0.066819 0.533410 0.166768 Mg\n0.466591 0.933181 0.166768 Mg\n0.866463 0.133537 0.167193 Mg\n0.267074 0.133537 0.167193 Mg\n0.866463 0.732926 0.167193 Mg\n0.067475 0.134950 0.169138 Mg\n0.865050 0.932525 0.169138 Mg\n0.067475 0.932525 0.169138 Mg\n0.199913 0.399826 0.333214 Mg\n0.600175 0.800087 0.333214 Mg\n0.199913 0.800087 0.333214 Mg\n0.400152 0.200076 0.333221 Mg\n0.799924 0.200076 0.333221 Mg\n0.799924 0.599848 0.333221 Mg\n0.600043 0.200087 0.333253 Mg\n0.600043 0.399956 0.333253 Mg\n0.799913 0.399957 0.333253 Mg\n0.600086 0.000118 0.333354 Mg\n0.400032 0.000118 0.333354 Mg\n0.999882 0.399914 0.333354 Mg\n0.400032 0.399914 0.333354 Mg\n0.999882 0.599968 0.333354 Mg\n0.600086 0.599968 0.333354 Mg\n0.399981 0.600019 0.333476 Mg\n0.200038 0.600019 0.333476 Mg\n0.399981 0.799962 0.333476 Mg\n0.000000 0.000000 0.333742 Mg\n0.200246 0.000161 0.333955 Mg\n0.799915 0.000161 0.333955 Mg\n0.999840 0.200085 0.333955 Mg\n0.200246 0.200086 0.333955 Mg\n0.799915 0.799754 0.333955 Mg\n0.999840 0.799754 0.333955 Mg\n0.066646 0.133291 0.500000 Mg\n0.466824 0.133373 0.500000 Mg\n0.666549 0.133373 0.500000 Mg\n0.266782 0.133391 0.500000 Mg\n0.866609 0.133391 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066690 0.333392 0.500000 Mg\n0.266701 0.333392 0.500000 Mg\n0.466824 0.333451 0.500000 Mg\n0.866627 0.333451 0.500000 Mg\n0.866627 0.533175 0.500000 Mg\n0.666549 0.533175 0.500000 Mg\n0.466646 0.533353 0.500000 Mg\n0.066707 0.533354 0.500000 Mg\n0.266710 0.533420 0.500000 Mg\n0.866609 0.733218 0.500000 Mg\n0.466580 0.733290 0.500000 Mg\n0.266710 0.733290 0.500000 Mg\n0.066690 0.733299 0.500000 Mg\n0.666608 0.733299 0.500000 Mg\n0.466646 0.933293 0.500000 Mg\n0.266701 0.933309 0.500000 Mg\n0.666608 0.933309 0.500000 Mg\n0.866710 0.933355 0.500000 Mg\n0.066646 0.933355 0.500000 Mg\n0.200246 0.000161 0.666045 Mg\n0.799915 0.000161 0.666045 Mg\n0.999840 0.200085 0.666045 Mg\n0.200246 0.200086 0.666045 Mg\n0.799915 0.799754 0.666045 Mg\n0.999840 0.799754 0.666045 Mg\n0.000000 0.000000 0.666258 Mg\n0.399981 0.600019 0.666524 Mg\n0.200038 0.600019 0.666524 Mg\n0.399981 0.799962 0.666524 Mg\n0.600086 0.000118 0.666646 Mg\n0.400032 0.000118 0.666646 Mg\n0.999882 0.399914 0.666646 Mg\n0.400032 0.399914 0.666646 Mg\n0.999882 0.599968 0.666646 Mg\n0.600086 0.599968 0.666646 Mg\n0.600043 0.200087 0.666747 Mg\n0.600043 0.399956 0.666747 Mg\n0.799913 0.399957 0.666747 Mg\n0.400152 0.200076 0.666779 Mg\n0.799924 0.200076 0.666779 Mg\n0.799924 0.599848 0.666779 Mg\n0.199913 0.399826 0.666786 Mg\n0.600175 0.800087 0.666786 Mg\n0.199913 0.800087 0.666786 Mg\n0.067475 0.134950 0.830862 Mg\n0.865050 0.932525 0.830862 Mg\n0.067475 0.932525 0.830862 Mg\n0.866463 0.133537 0.832807 Mg\n0.267074 0.133537 0.832807 Mg\n0.866463 0.732926 0.832807 Mg\n0.466591 0.533409 0.833232 Mg\n0.066819 0.533410 0.833232 Mg\n0.466591 0.933181 0.833232 Mg\n0.266639 0.533279 0.833235 Mg\n0.266639 0.733360 0.833235 Mg\n0.466720 0.733360 0.833235 Mg\n0.066515 0.333246 0.833290 Mg\n0.266732 0.333246 0.833290 Mg\n0.066515 0.733269 0.833290 Mg\n0.666754 0.733269 0.833290 Mg\n0.666754 0.933485 0.833290 Mg\n0.266732 0.933486 0.833290 Mg\n0.666666 0.333333 0.833399 Mg\n0.466787 0.133342 0.833453 Mg\n0.666555 0.133343 0.833453 Mg\n0.466787 0.333445 0.833453 Mg\n0.866657 0.333445 0.833453 Mg\n0.866657 0.533213 0.833453 Mg\n0.666555 0.533213 0.833453 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 1.8507268767784386,
"density_atomic": 0.04366559617355431,
"volume": 3435.1987180893275,
"volume_molar": 13.791500145936993,
"formula_full": "Mg149 Pb1",
"formula_reduced": "Mg149Pb",
"formula_anonymous": "AB149",
"formation_energy": -0.0006104913722255,
"spacegroup": 187
}
]
}