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{
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{
"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
},
{
"id": "oqmd-31716",
"created_at": "2022-09-04T14:49:00.286166Z",
"updated_at": "2022-09-04T14:49:00.286194Z",
"structure_string": "Mg149 Au1\n1.0\n13.766566 -7.948135 0.000000\n0.000000 15.896269 0.000000\n0.000000 0.000000 15.597970\nAu Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Au\n0.399047 0.000000 0.000000 Mg\n0.600984 0.000000 0.000000 Mg\n0.195289 0.001525 0.000000 Mg\n0.806237 0.001525 0.000000 Mg\n0.998475 0.193764 0.000000 Mg\n0.195289 0.193764 0.000000 Mg\n0.800703 0.199297 0.000000 Mg\n0.398594 0.199297 0.000000 Mg\n0.599917 0.199835 0.000000 Mg\n0.198723 0.397446 0.000000 Mg\n0.399047 0.399015 0.000000 Mg\n0.000000 0.399016 0.000000 Mg\n0.800165 0.400083 0.000000 Mg\n0.599917 0.400083 0.000000 Mg\n0.199764 0.599882 0.000000 Mg\n0.400118 0.599882 0.000000 Mg\n0.600984 0.600953 0.000000 Mg\n0.000000 0.600954 0.000000 Mg\n0.800703 0.601406 0.000000 Mg\n0.400118 0.800236 0.000000 Mg\n0.602554 0.801277 0.000000 Mg\n0.198723 0.801277 0.000000 Mg\n0.998475 0.804711 0.000000 Mg\n0.806237 0.804711 0.000000 Mg\n0.064802 0.129604 0.161951 Mg\n0.870396 0.935198 0.161951 Mg\n0.064802 0.935198 0.161951 Mg\n0.065999 0.331437 0.165795 Mg\n0.265438 0.331437 0.165795 Mg\n0.065999 0.734562 0.165795 Mg\n0.668563 0.734562 0.165795 Mg\n0.265438 0.934001 0.165795 Mg\n0.668563 0.934001 0.165795 Mg\n0.266310 0.532620 0.166261 Mg\n0.266310 0.733689 0.166261 Mg\n0.467380 0.733690 0.166261 Mg\n0.066680 0.533340 0.166288 Mg\n0.466660 0.533340 0.166288 Mg\n0.466660 0.933319 0.166288 Mg\n0.466949 0.133452 0.166601 Mg\n0.666503 0.133452 0.166601 Mg\n0.466949 0.333497 0.166601 Mg\n0.866549 0.333498 0.166601 Mg\n0.866549 0.533051 0.166601 Mg\n0.666503 0.533051 0.166601 Mg\n0.666667 0.333333 0.166653 Mg\n0.267997 0.133999 0.167383 Mg\n0.866002 0.133999 0.167383 Mg\n0.866002 0.732003 0.167383 Mg\n0.000000 0.000000 0.331623 Mg\n0.199212 0.199484 0.332479 Mg\n0.000272 0.199485 0.332479 Mg\n0.000272 0.800787 0.332479 Mg\n0.800516 0.800788 0.332479 Mg\n0.800516 0.999728 0.332479 Mg\n0.199212 0.999728 0.332479 Mg\n0.399609 0.399720 0.332896 Mg\n0.000112 0.399721 0.332896 Mg\n0.600279 0.600390 0.332896 Mg\n0.000112 0.600391 0.332896 Mg\n0.600279 0.999888 0.332896 Mg\n0.399609 0.999888 0.332896 Mg\n0.199855 0.399711 0.332922 Mg\n0.600289 0.800144 0.332922 Mg\n0.199855 0.800145 0.332922 Mg\n0.200009 0.600004 0.333181 Mg\n0.399995 0.600005 0.333181 Mg\n0.399995 0.799991 0.333181 Mg\n0.599961 0.199921 0.333320 Mg\n0.800079 0.400040 0.333320 Mg\n0.599961 0.400040 0.333320 Mg\n0.399943 0.199971 0.333518 Mg\n0.800028 0.199972 0.333518 Mg\n0.800028 0.600057 0.333518 Mg\n0.066477 0.132954 0.500000 Mg\n0.266336 0.133168 0.500000 Mg\n0.866832 0.133168 0.500000 Mg\n0.466632 0.133225 0.500000 Mg\n0.666593 0.133225 0.500000 Mg\n0.266512 0.332960 0.500000 Mg\n0.066447 0.332960 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466632 0.333407 0.500000 Mg\n0.866775 0.333408 0.500000 Mg\n0.266554 0.533109 0.500000 Mg\n0.066514 0.533257 0.500000 Mg\n0.466743 0.533257 0.500000 Mg\n0.666593 0.533368 0.500000 Mg\n0.866775 0.533368 0.500000 Mg\n0.466891 0.733445 0.500000 Mg\n0.266554 0.733445 0.500000 Mg\n0.066447 0.733487 0.500000 Mg\n0.667040 0.733487 0.500000 Mg\n0.866832 0.733664 0.500000 Mg\n0.466743 0.933486 0.500000 Mg\n0.867046 0.933523 0.500000 Mg\n0.066477 0.933523 0.500000 Mg\n0.667040 0.933553 0.500000 Mg\n0.266512 0.933553 0.500000 Mg\n0.399943 0.199971 0.666482 Mg\n0.800028 0.199972 0.666482 Mg\n0.800028 0.600057 0.666482 Mg\n0.599961 0.199921 0.666680 Mg\n0.800079 0.400040 0.666680 Mg\n0.599961 0.400040 0.666680 Mg\n0.200009 0.600004 0.666819 Mg\n0.399995 0.600005 0.666819 Mg\n0.399995 0.799991 0.666819 Mg\n0.199855 0.399711 0.667078 Mg\n0.600289 0.800144 0.667078 Mg\n0.199855 0.800145 0.667078 Mg\n0.399609 0.399720 0.667104 Mg\n0.000112 0.399721 0.667104 Mg\n0.600279 0.600390 0.667104 Mg\n0.000112 0.600391 0.667104 Mg\n0.600279 0.999888 0.667104 Mg\n0.399609 0.999888 0.667104 Mg\n0.199212 0.199484 0.667521 Mg\n0.000272 0.199485 0.667521 Mg\n0.000272 0.800787 0.667521 Mg\n0.800516 0.800788 0.667521 Mg\n0.800516 0.999728 0.667521 Mg\n0.199212 0.999728 0.667521 Mg\n0.000000 0.000000 0.668377 Mg\n0.267997 0.133999 0.832617 Mg\n0.866002 0.133999 0.832617 Mg\n0.866002 0.732003 0.832617 Mg\n0.666667 0.333333 0.833347 Mg\n0.466949 0.133452 0.833399 Mg\n0.666503 0.133452 0.833399 Mg\n0.466949 0.333497 0.833399 Mg\n0.866549 0.333498 0.833399 Mg\n0.866549 0.533051 0.833399 Mg\n0.666503 0.533051 0.833399 Mg\n0.066680 0.533340 0.833712 Mg\n0.466660 0.533340 0.833712 Mg\n0.466660 0.933319 0.833712 Mg\n0.266310 0.532620 0.833739 Mg\n0.266310 0.733689 0.833739 Mg\n0.467380 0.733690 0.833739 Mg\n0.065999 0.331437 0.834205 Mg\n0.265438 0.331437 0.834205 Mg\n0.065999 0.734562 0.834205 Mg\n0.668563 0.734562 0.834205 Mg\n0.265438 0.934001 0.834205 Mg\n0.668563 0.934001 0.834205 Mg\n0.064802 0.129604 0.838049 Mg\n0.870396 0.935198 0.838049 Mg\n0.064802 0.935198 0.838049 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Au",
"Mg"
],
"chemical_system": "Au-Mg",
"density": 1.8575603369250737,
"density_atomic": 0.04394428005288826,
"volume": 3413.4135277553873,
"volume_molar": 13.704037824154074,
"formula_full": "Mg149 Au1",
"formula_reduced": "Mg149Au",
"formula_anonymous": "AB149",
"formation_energy": -0.0078426550388921,
"spacegroup": 187
},
{
"id": "oqmd-31713",
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"updated_at": "2022-09-04T14:49:00.343073Z",
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"nelements": 2,
"elements": [
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"chemical_system": "Ag-Mg",
"density": 1.8132817206471687,
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"formula_full": "Mg149 Ag1",
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{
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"created_at": "2022-09-04T14:51:16.184529Z",
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"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": [
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"chemical_system": "Bi-Mg",
"density": 1.8504839830101447,
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"volume": 3437.2472697928033,
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{
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"updated_at": "2022-09-04T14:49:00.927172Z",
"structure_string": "Mg149 Cd1\n1.0\n13.771522 -7.950996 0.000000\n0.000000 15.901991 0.000000\n0.000000 0.000000 15.624136\nCd Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cd\n0.199418 0.000610 0.000000 Mg\n0.801192 0.000610 0.000000 Mg\n0.199418 0.198808 0.000000 Mg\n0.999390 0.198808 0.000000 Mg\n0.399617 0.199808 0.000000 Mg\n0.800192 0.199808 0.000000 Mg\n0.599962 0.199924 0.000000 Mg\n0.199584 0.399169 0.000000 Mg\n0.399867 0.399946 0.000000 Mg\n0.000000 0.399947 0.000000 Mg\n0.599962 0.400038 0.000000 Mg\n0.800076 0.400038 0.000000 Mg\n0.400056 0.599944 0.000000 Mg\n0.199888 0.599944 0.000000 Mg\n0.000000 0.600132 0.000000 Mg\n0.600054 0.600133 0.000000 Mg\n0.800192 0.600383 0.000000 Mg\n0.400056 0.800112 0.000000 Mg\n0.199584 0.800415 0.000000 Mg\n0.600831 0.800416 0.000000 Mg\n0.999390 0.800581 0.000000 Mg\n0.801192 0.800582 0.000000 Mg\n0.399867 0.000000 0.000000 Mg\n0.600054 0.000000 0.000000 Mg\n0.066397 0.132794 0.166005 Mg\n0.867206 0.933603 0.166005 Mg\n0.066397 0.933603 0.166005 Mg\n0.266273 0.332727 0.166426 Mg\n0.066455 0.332727 0.166426 Mg\n0.066455 0.733727 0.166426 Mg\n0.667273 0.733727 0.166426 Mg\n0.667273 0.933546 0.166426 Mg\n0.266273 0.933546 0.166426 Mg\n0.466781 0.133345 0.166566 Mg\n0.666564 0.133345 0.166566 Mg\n0.466781 0.333436 0.166566 Mg\n0.866655 0.333436 0.166566 Mg\n0.666564 0.533219 0.166566 Mg\n0.866655 0.533219 0.166566 Mg\n0.666666 0.333333 0.166580 Mg\n0.466627 0.533372 0.166628 Mg\n0.066745 0.533373 0.166628 Mg\n0.466627 0.933255 0.166628 Mg\n0.266554 0.533110 0.166704 Mg\n0.266554 0.733445 0.166704 Mg\n0.466890 0.733445 0.166704 Mg\n0.866348 0.133652 0.167193 Mg\n0.267304 0.133652 0.167193 Mg\n0.866348 0.732696 0.167193 Mg\n0.000000 0.000000 0.332905 Mg\n0.000000 0.199902 0.333224 Mg\n0.199852 0.199902 0.333224 Mg\n0.800098 0.800148 0.333224 Mg\n0.000000 0.800148 0.333224 Mg\n0.199852 0.000000 0.333224 Mg\n0.800098 0.000000 0.333224 Mg\n0.399882 0.000000 0.333235 Mg\n0.600168 0.000000 0.333235 Mg\n0.000000 0.399832 0.333235 Mg\n0.399882 0.399833 0.333235 Mg\n0.000000 0.600117 0.333235 Mg\n0.600168 0.600117 0.333235 Mg\n0.199953 0.399906 0.333245 Mg\n0.199953 0.800047 0.333245 Mg\n0.600093 0.800047 0.333245 Mg\n0.600008 0.200016 0.333274 Mg\n0.600008 0.399992 0.333274 Mg\n0.799984 0.399992 0.333274 Mg\n0.799979 0.200021 0.333385 Mg\n0.400042 0.200021 0.333385 Mg\n0.799979 0.599958 0.333385 Mg\n0.400009 0.599991 0.333444 Mg\n0.199983 0.599992 0.333444 Mg\n0.400009 0.800017 0.333444 Mg\n0.066608 0.133216 0.500000 Mg\n0.866684 0.133316 0.500000 Mg\n0.266631 0.133316 0.500000 Mg\n0.466744 0.133348 0.500000 Mg\n0.666605 0.133348 0.500000 Mg\n0.266690 0.333276 0.500000 Mg\n0.066586 0.333276 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866652 0.333395 0.500000 Mg\n0.466744 0.333396 0.500000 Mg\n0.866652 0.533256 0.500000 Mg\n0.666605 0.533257 0.500000 Mg\n0.466722 0.533278 0.500000 Mg\n0.066557 0.533279 0.500000 Mg\n0.266648 0.533297 0.500000 Mg\n0.066586 0.733310 0.500000 Mg\n0.666724 0.733310 0.500000 Mg\n0.266648 0.733351 0.500000 Mg\n0.466704 0.733352 0.500000 Mg\n0.866684 0.733368 0.500000 Mg\n0.866784 0.933392 0.500000 Mg\n0.066608 0.933392 0.500000 Mg\n0.666724 0.933414 0.500000 Mg\n0.266690 0.933414 0.500000 Mg\n0.466722 0.933444 0.500000 Mg\n0.400009 0.599991 0.666556 Mg\n0.199983 0.599992 0.666556 Mg\n0.400009 0.800017 0.666556 Mg\n0.799979 0.200021 0.666615 Mg\n0.400042 0.200021 0.666615 Mg\n0.799979 0.599958 0.666615 Mg\n0.600008 0.200016 0.666726 Mg\n0.600008 0.399992 0.666726 Mg\n0.799984 0.399992 0.666726 Mg\n0.199953 0.399906 0.666754 Mg\n0.199953 0.800047 0.666754 Mg\n0.600093 0.800047 0.666754 Mg\n0.399882 0.000000 0.666765 Mg\n0.600168 0.000000 0.666765 Mg\n0.000000 0.399832 0.666765 Mg\n0.399882 0.399833 0.666765 Mg\n0.000000 0.600117 0.666765 Mg\n0.600168 0.600117 0.666765 Mg\n0.000000 0.199902 0.666776 Mg\n0.199852 0.199902 0.666776 Mg\n0.800098 0.800148 0.666776 Mg\n0.000000 0.800148 0.666776 Mg\n0.199852 0.000000 0.666776 Mg\n0.800098 0.000000 0.666776 Mg\n0.000000 0.000000 0.667095 Mg\n0.866348 0.133652 0.832807 Mg\n0.267304 0.133652 0.832807 Mg\n0.866348 0.732696 0.832807 Mg\n0.266554 0.533110 0.833296 Mg\n0.266554 0.733445 0.833296 Mg\n0.466890 0.733445 0.833296 Mg\n0.466627 0.533372 0.833372 Mg\n0.066745 0.533373 0.833372 Mg\n0.466627 0.933255 0.833372 Mg\n0.666666 0.333333 0.833420 Mg\n0.466781 0.133345 0.833434 Mg\n0.666564 0.133345 0.833434 Mg\n0.466781 0.333436 0.833434 Mg\n0.866655 0.333436 0.833434 Mg\n0.666564 0.533219 0.833434 Mg\n0.866655 0.533219 0.833434 Mg\n0.266273 0.332727 0.833574 Mg\n0.066455 0.332727 0.833574 Mg\n0.066455 0.733727 0.833574 Mg\n0.667273 0.733727 0.833574 Mg\n0.667273 0.933546 0.833574 Mg\n0.266273 0.933546 0.833574 Mg\n0.066397 0.132794 0.833995 Mg\n0.867206 0.933603 0.833995 Mg\n0.066397 0.933603 0.833995 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
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"chemical_system": "Cd-Mg",
"density": 1.812079337232858,
"density_atomic": 0.043839117687753386,
"volume": 3421.601708966489,
"volume_molar": 13.736911410701833,
"formula_full": "Mg149 Cd1",
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"spacegroup": 187
},
{
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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",
"formula_anonymous": "AB149",
"formation_energy": 0.0003116161277745,
"spacegroup": 187
},
{
"id": "oqmd-31730",
"created_at": "2022-09-04T14:49:00.772922Z",
"updated_at": "2022-09-04T14:49:00.772951Z",
"structure_string": "Mg149 Cu1\n1.0\n13.762089 -7.945549 0.000000\n0.000000 15.891099 0.000000\n0.000000 0.000000 15.594113\nCu Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cu\n0.806547 0.001224 0.000000 Mg\n0.194678 0.001225 0.000000 Mg\n0.194678 0.193453 0.000000 Mg\n0.998776 0.193453 0.000000 Mg\n0.398519 0.199260 0.000000 Mg\n0.800740 0.199260 0.000000 Mg\n0.599865 0.199728 0.000000 Mg\n0.198876 0.397752 0.000000 Mg\n0.398906 0.398913 0.000000 Mg\n0.000000 0.398913 0.000000 Mg\n0.800272 0.400136 0.000000 Mg\n0.599865 0.400136 0.000000 Mg\n0.199766 0.599883 0.000000 Mg\n0.400117 0.599883 0.000000 Mg\n0.601087 0.601094 0.000000 Mg\n0.000000 0.601094 0.000000 Mg\n0.800740 0.601480 0.000000 Mg\n0.400117 0.800233 0.000000 Mg\n0.602249 0.801124 0.000000 Mg\n0.198876 0.801125 0.000000 Mg\n0.806547 0.805322 0.000000 Mg\n0.998776 0.805323 0.000000 Mg\n0.601087 0.000000 0.000000 Mg\n0.398906 0.000000 0.000000 Mg\n0.064657 0.129313 0.161501 Mg\n0.870688 0.935344 0.161501 Mg\n0.064657 0.935344 0.161501 Mg\n0.265488 0.331606 0.165878 Mg\n0.066118 0.331606 0.165878 Mg\n0.668394 0.734512 0.165878 Mg\n0.066118 0.734512 0.165878 Mg\n0.265488 0.933882 0.165878 Mg\n0.668394 0.933882 0.165878 Mg\n0.266364 0.532729 0.166289 Mg\n0.266364 0.733635 0.166289 Mg\n0.467271 0.733636 0.166289 Mg\n0.466686 0.533314 0.166317 Mg\n0.066628 0.533314 0.166317 Mg\n0.466686 0.933372 0.166317 Mg\n0.666667 0.333333 0.166530 Mg\n0.666594 0.133392 0.166543 Mg\n0.466798 0.133392 0.166543 Mg\n0.866608 0.333406 0.166543 Mg\n0.466798 0.333406 0.166543 Mg\n0.866608 0.533202 0.166543 Mg\n0.666594 0.533202 0.166543 Mg\n0.866273 0.133727 0.167055 Mg\n0.267454 0.133727 0.167055 Mg\n0.866273 0.732546 0.167055 Mg\n0.000000 0.000000 0.331563 Mg\n0.199181 0.199486 0.332404 Mg\n0.000304 0.199486 0.332404 Mg\n0.000304 0.800819 0.332404 Mg\n0.800514 0.800819 0.332404 Mg\n0.800514 0.999695 0.332404 Mg\n0.199181 0.999696 0.332404 Mg\n0.399643 0.399735 0.332959 Mg\n0.000000 0.399735 0.332959 Mg\n0.000000 0.600357 0.332959 Mg\n0.600265 0.600357 0.332959 Mg\n0.399643 0.000000 0.332959 Mg\n0.600265 0.000000 0.332959 Mg\n0.199892 0.399784 0.333012 Mg\n0.199892 0.800108 0.333012 Mg\n0.600216 0.800108 0.333012 Mg\n0.199967 0.599983 0.333197 Mg\n0.400016 0.599984 0.333197 Mg\n0.400016 0.800033 0.333197 Mg\n0.599957 0.199913 0.333239 Mg\n0.800087 0.400044 0.333239 Mg\n0.599957 0.400044 0.333239 Mg\n0.800089 0.199911 0.333444 Mg\n0.399823 0.199911 0.333444 Mg\n0.800089 0.600177 0.333444 Mg\n0.066488 0.132976 0.500000 Mg\n0.866823 0.133178 0.500000 Mg\n0.266356 0.133178 0.500000 Mg\n0.666643 0.133289 0.500000 Mg\n0.466646 0.133290 0.500000 Mg\n0.066421 0.332908 0.500000 Mg\n0.266488 0.332909 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466646 0.333357 0.500000 Mg\n0.866710 0.333357 0.500000 Mg\n0.266556 0.533113 0.500000 Mg\n0.066483 0.533242 0.500000 Mg\n0.466758 0.533242 0.500000 Mg\n0.866710 0.533353 0.500000 Mg\n0.666643 0.533354 0.500000 Mg\n0.466887 0.733444 0.500000 Mg\n0.266556 0.733444 0.500000 Mg\n0.066421 0.733512 0.500000 Mg\n0.667091 0.733512 0.500000 Mg\n0.866823 0.733645 0.500000 Mg\n0.867024 0.933512 0.500000 Mg\n0.066488 0.933512 0.500000 Mg\n0.466758 0.933516 0.500000 Mg\n0.667091 0.933579 0.500000 Mg\n0.266488 0.933579 0.500000 Mg\n0.800089 0.199911 0.666555 Mg\n0.399823 0.199911 0.666555 Mg\n0.800089 0.600177 0.666555 Mg\n0.599957 0.199913 0.666761 Mg\n0.800087 0.400044 0.666761 Mg\n0.599957 0.400044 0.666761 Mg\n0.199967 0.599983 0.666804 Mg\n0.400016 0.599984 0.666804 Mg\n0.400016 0.800033 0.666804 Mg\n0.199892 0.399784 0.666988 Mg\n0.199892 0.800108 0.666988 Mg\n0.600216 0.800108 0.666988 Mg\n0.399643 0.399735 0.667041 Mg\n0.000000 0.399735 0.667041 Mg\n0.000000 0.600357 0.667041 Mg\n0.600265 0.600357 0.667041 Mg\n0.399643 0.000000 0.667041 Mg\n0.600265 0.000000 0.667041 Mg\n0.199181 0.199486 0.667596 Mg\n0.000304 0.199486 0.667596 Mg\n0.000304 0.800819 0.667596 Mg\n0.800514 0.800819 0.667596 Mg\n0.800514 0.999695 0.667596 Mg\n0.199181 0.999696 0.667596 Mg\n0.000000 0.000000 0.668438 Mg\n0.866273 0.133727 0.832944 Mg\n0.267454 0.133727 0.832944 Mg\n0.866273 0.732546 0.832944 Mg\n0.666594 0.133392 0.833457 Mg\n0.466798 0.133392 0.833457 Mg\n0.866608 0.333406 0.833457 Mg\n0.466798 0.333406 0.833457 Mg\n0.866608 0.533202 0.833457 Mg\n0.666594 0.533202 0.833457 Mg\n0.666667 0.333333 0.833470 Mg\n0.466686 0.533314 0.833683 Mg\n0.066628 0.533314 0.833683 Mg\n0.466686 0.933372 0.833683 Mg\n0.266364 0.532729 0.833711 Mg\n0.266364 0.733635 0.833711 Mg\n0.467271 0.733636 0.833711 Mg\n0.265488 0.331606 0.834122 Mg\n0.066118 0.331606 0.834122 Mg\n0.668394 0.734512 0.834122 Mg\n0.066118 0.734512 0.834122 Mg\n0.265488 0.933882 0.834122 Mg\n0.668394 0.933882 0.834122 Mg\n0.064657 0.129313 0.838498 Mg\n0.870688 0.935344 0.838498 Mg\n0.064657 0.935344 0.838498 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Cu",
"Mg"
],
"chemical_system": "Cu-Mg",
"density": 1.7942648803031813,
"density_atomic": 0.04398375331301106,
"volume": 3410.350156625395,
"volume_molar": 13.691739122724115,
"formula_full": "Mg149 Cu1",
"formula_reduced": "Mg149Cu",
"formula_anonymous": "AB149",
"formation_energy": 0.0014446318277744,
"spacegroup": 187
},
{
"id": "oqmd-31714",
"created_at": "2022-09-04T14:49:02.650851Z",
"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",
"nsites": 150,
"nelements": 2,
"elements": [
"Al",
"Mg"
],
"chemical_system": "Al-Mg",
"density": 1.77098812794002,
"density_atomic": 0.043848243955003,
"volume": 3420.889560684112,
"volume_molar": 13.734052305902857,
"formula_full": "Mg149 Al1",
"formula_reduced": "Mg149Al",
"formula_anonymous": "AB149",
"formation_energy": 0.0011436671611079,
"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",
"formula_anonymous": "AB149",
"formation_energy": -0.0035993269549978,
"spacegroup": 187
},
{
"id": "oqmd-31752",
"created_at": "2022-09-04T14:49:00.231252Z",
"updated_at": "2022-09-04T14:49:00.231268Z",
"structure_string": "Mg149 Mo1\n1.0\n13.789397 -7.961315 0.000000\n0.000000 15.922631 0.000000\n0.000000 0.000000 15.546108\nMg Mo\n149 1\ndirect\n0.397288 0.000564 0.000000 Mg\n0.603276 0.000564 0.000000 Mg\n0.190974 0.000867 0.000000 Mg\n0.809894 0.000868 0.000000 Mg\n0.190974 0.190106 0.000000 Mg\n0.999132 0.190107 0.000000 Mg\n0.599615 0.199230 0.000000 Mg\n0.800485 0.199515 0.000000 Mg\n0.399031 0.199516 0.000000 Mg\n0.397288 0.396724 0.000000 Mg\n0.999436 0.396724 0.000000 Mg\n0.198867 0.397735 0.000000 Mg\n0.599615 0.400385 0.000000 Mg\n0.800770 0.400385 0.000000 Mg\n0.400271 0.599729 0.000000 Mg\n0.199457 0.599729 0.000000 Mg\n0.800485 0.600969 0.000000 Mg\n0.999436 0.602712 0.000000 Mg\n0.603276 0.602712 0.000000 Mg\n0.400271 0.800543 0.000000 Mg\n0.198867 0.801132 0.000000 Mg\n0.602265 0.801133 0.000000 Mg\n0.809894 0.809026 0.000000 Mg\n0.999132 0.809026 0.000000 Mg\n0.063570 0.127140 0.158696 Mg\n0.063570 0.936429 0.158696 Mg\n0.872860 0.936430 0.158696 Mg\n0.265393 0.331867 0.165939 Mg\n0.066474 0.331867 0.165939 Mg\n0.668132 0.734607 0.165939 Mg\n0.066474 0.734607 0.165939 Mg\n0.668132 0.933525 0.165939 Mg\n0.265393 0.933526 0.165939 Mg\n0.466714 0.533285 0.166043 Mg\n0.066571 0.533286 0.166043 Mg\n0.466714 0.933429 0.166043 Mg\n0.266570 0.533140 0.166637 Mg\n0.266570 0.733430 0.166637 Mg\n0.466859 0.733430 0.166637 Mg\n0.866015 0.133984 0.166671 Mg\n0.267969 0.133984 0.166671 Mg\n0.866015 0.732031 0.166671 Mg\n0.466744 0.133466 0.166809 Mg\n0.666722 0.133466 0.166809 Mg\n0.466744 0.333278 0.166809 Mg\n0.866533 0.333278 0.166809 Mg\n0.866533 0.533255 0.166809 Mg\n0.666722 0.533256 0.166809 Mg\n0.666667 0.333333 0.166874 Mg\n0.198658 0.199026 0.330854 Mg\n0.000368 0.199026 0.330854 Mg\n0.000368 0.801342 0.330854 Mg\n0.800974 0.801342 0.330854 Mg\n0.800974 0.999632 0.330854 Mg\n0.198658 0.999633 0.330854 Mg\n0.000000 0.000000 0.332618 Mg\n0.000000 0.399590 0.332864 Mg\n0.399511 0.399590 0.332864 Mg\n0.600410 0.600489 0.332864 Mg\n0.000000 0.600490 0.332864 Mg\n0.399511 0.000000 0.332864 Mg\n0.600410 0.000000 0.332864 Mg\n0.200083 0.400166 0.333372 Mg\n0.200083 0.799917 0.333372 Mg\n0.599834 0.799917 0.333372 Mg\n0.599955 0.199910 0.333499 Mg\n0.800090 0.400045 0.333499 Mg\n0.599955 0.400045 0.333499 Mg\n0.400007 0.200004 0.333707 Mg\n0.799997 0.200004 0.333707 Mg\n0.799997 0.599993 0.333707 Mg\n0.399959 0.600040 0.333707 Mg\n0.200081 0.600041 0.333707 Mg\n0.399959 0.799920 0.333707 Mg\n0.265890 0.132945 0.500000 Mg\n0.867055 0.132945 0.500000 Mg\n0.066545 0.133089 0.500000 Mg\n0.666938 0.133842 0.500000 Mg\n0.466904 0.133842 0.500000 Mg\n0.066307 0.332679 0.500000 Mg\n0.266372 0.332679 0.500000 Mg\n0.866158 0.333062 0.500000 Mg\n0.466904 0.333062 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266477 0.532955 0.500000 Mg\n0.466933 0.533068 0.500000 Mg\n0.066135 0.533068 0.500000 Mg\n0.666938 0.533095 0.500000 Mg\n0.866158 0.533095 0.500000 Mg\n0.266477 0.733523 0.500000 Mg\n0.467045 0.733523 0.500000 Mg\n0.667321 0.733628 0.500000 Mg\n0.066307 0.733628 0.500000 Mg\n0.867055 0.734110 0.500000 Mg\n0.866911 0.933456 0.500000 Mg\n0.066545 0.933456 0.500000 Mg\n0.266372 0.933693 0.500000 Mg\n0.667321 0.933693 0.500000 Mg\n0.466933 0.933865 0.500000 Mg\n0.400007 0.200004 0.666292 Mg\n0.799997 0.200004 0.666292 Mg\n0.799997 0.599993 0.666292 Mg\n0.399959 0.600040 0.666293 Mg\n0.200081 0.600041 0.666293 Mg\n0.399959 0.799920 0.666293 Mg\n0.599955 0.199910 0.666501 Mg\n0.800090 0.400045 0.666501 Mg\n0.599955 0.400045 0.666501 Mg\n0.200083 0.400166 0.666627 Mg\n0.200083 0.799917 0.666627 Mg\n0.599834 0.799917 0.666627 Mg\n0.000000 0.399590 0.667136 Mg\n0.399511 0.399590 0.667136 Mg\n0.600410 0.600489 0.667136 Mg\n0.000000 0.600490 0.667136 Mg\n0.399511 0.000000 0.667136 Mg\n0.600410 0.000000 0.667136 Mg\n0.000000 0.000000 0.667382 Mg\n0.198658 0.199026 0.669146 Mg\n0.000368 0.199026 0.669146 Mg\n0.000368 0.801342 0.669146 Mg\n0.800974 0.801342 0.669146 Mg\n0.800974 0.999632 0.669146 Mg\n0.198658 0.999633 0.669146 Mg\n0.666667 0.333333 0.833126 Mg\n0.466744 0.133466 0.833191 Mg\n0.666722 0.133466 0.833191 Mg\n0.466744 0.333278 0.833191 Mg\n0.866533 0.333278 0.833191 Mg\n0.866533 0.533255 0.833191 Mg\n0.666722 0.533256 0.833191 Mg\n0.866015 0.133984 0.833329 Mg\n0.267969 0.133984 0.833329 Mg\n0.866015 0.732031 0.833329 Mg\n0.266570 0.533140 0.833364 Mg\n0.266570 0.733430 0.833364 Mg\n0.466859 0.733430 0.833364 Mg\n0.466714 0.533285 0.833956 Mg\n0.066571 0.533286 0.833956 Mg\n0.466714 0.933429 0.833956 Mg\n0.265393 0.331867 0.834061 Mg\n0.066474 0.331867 0.834061 Mg\n0.668132 0.734607 0.834061 Mg\n0.066474 0.734607 0.834061 Mg\n0.668132 0.933525 0.834061 Mg\n0.265393 0.933526 0.834061 Mg\n0.063570 0.127140 0.841304 Mg\n0.063570 0.936429 0.841304 Mg\n0.872860 0.936430 0.841304 Mg\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Mo"
],
"chemical_system": "Mg-Mo",
"density": 1.8084431185886418,
"density_atomic": 0.04394500039822792,
"volume": 3413.3575751668154,
"volume_molar": 13.703813187911228,
"formula_full": "Mg149 Mo1",
"formula_reduced": "Mg149Mo",
"formula_anonymous": "AB149",
"formation_energy": 0.0092006890277745,
"spacegroup": 187
},
{
"id": "oqmd-31751",
"created_at": "2022-09-04T14:49:00.816900Z",
"updated_at": "2022-09-04T14:49:00.816928Z",
"structure_string": "Mg149 Mn1\n1.0\n13.771392 -7.950920 0.000000\n0.000000 15.901841 0.000000\n0.000000 0.000000 15.586468\nMg Mn\n149 1\ndirect\n0.601462 0.000101 0.000000 Mg\n0.398639 0.000101 0.000000 Mg\n0.805765 0.000501 0.000000 Mg\n0.194736 0.000501 0.000000 Mg\n0.999500 0.194235 0.000000 Mg\n0.194736 0.194236 0.000000 Mg\n0.599785 0.199571 0.000000 Mg\n0.399201 0.199600 0.000000 Mg\n0.800400 0.199600 0.000000 Mg\n0.398639 0.398538 0.000000 Mg\n0.999899 0.398539 0.000000 Mg\n0.199339 0.398677 0.000000 Mg\n0.599785 0.400214 0.000000 Mg\n0.800429 0.400214 0.000000 Mg\n0.400116 0.599884 0.000000 Mg\n0.199769 0.599885 0.000000 Mg\n0.800400 0.600799 0.000000 Mg\n0.999899 0.601360 0.000000 Mg\n0.601462 0.601361 0.000000 Mg\n0.400116 0.800231 0.000000 Mg\n0.199339 0.800661 0.000000 Mg\n0.601323 0.800661 0.000000 Mg\n0.805765 0.805264 0.000000 Mg\n0.999500 0.805264 0.000000 Mg\n0.064787 0.129575 0.161980 Mg\n0.064787 0.935212 0.161980 Mg\n0.870425 0.935213 0.161980 Mg\n0.265860 0.332387 0.166206 Mg\n0.066528 0.332388 0.166206 Mg\n0.667612 0.734140 0.166206 Mg\n0.066528 0.734140 0.166206 Mg\n0.265860 0.933472 0.166206 Mg\n0.667612 0.933473 0.166206 Mg\n0.466703 0.533297 0.166378 Mg\n0.066594 0.533297 0.166378 Mg\n0.466703 0.933406 0.166378 Mg\n0.666667 0.333333 0.166495 Mg\n0.266535 0.533070 0.166566 Mg\n0.466930 0.733465 0.166566 Mg\n0.266535 0.733465 0.166566 Mg\n0.466571 0.133303 0.166585 Mg\n0.666732 0.133303 0.166585 Mg\n0.466571 0.333268 0.166585 Mg\n0.866697 0.333268 0.166585 Mg\n0.866697 0.533429 0.166585 Mg\n0.666732 0.533429 0.166585 Mg\n0.267192 0.133596 0.166733 Mg\n0.866404 0.133596 0.166733 Mg\n0.866404 0.732808 0.166733 Mg\n0.199246 0.199511 0.332213 Mg\n0.000265 0.199511 0.332213 Mg\n0.000265 0.800754 0.332213 Mg\n0.800489 0.800754 0.332213 Mg\n0.199246 0.999735 0.332213 Mg\n0.800489 0.999736 0.332213 Mg\n0.000000 0.000000 0.332666 Mg\n0.000000 0.399742 0.333042 Mg\n0.399711 0.399742 0.333042 Mg\n0.000000 0.600290 0.333042 Mg\n0.600258 0.600290 0.333042 Mg\n0.600258 0.000000 0.333042 Mg\n0.399711 0.000000 0.333042 Mg\n0.599973 0.199946 0.333224 Mg\n0.599973 0.400027 0.333224 Mg\n0.800054 0.400027 0.333224 Mg\n0.200002 0.400004 0.333297 Mg\n0.599996 0.799998 0.333297 Mg\n0.200002 0.799998 0.333297 Mg\n0.800069 0.199930 0.333422 Mg\n0.399861 0.199930 0.333422 Mg\n0.800069 0.600139 0.333422 Mg\n0.400011 0.599989 0.333432 Mg\n0.199978 0.599989 0.333432 Mg\n0.400011 0.800022 0.333432 Mg\n0.066576 0.133153 0.500000 Mg\n0.266306 0.133153 0.500000 Mg\n0.866847 0.133153 0.500000 Mg\n0.666770 0.133551 0.500000 Mg\n0.466781 0.133552 0.500000 Mg\n0.066412 0.332939 0.500000 Mg\n0.266527 0.332940 0.500000 Mg\n0.866448 0.333229 0.500000 Mg\n0.466781 0.333229 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266554 0.533108 0.500000 Mg\n0.466824 0.533176 0.500000 Mg\n0.066351 0.533176 0.500000 Mg\n0.666770 0.533218 0.500000 Mg\n0.866448 0.533219 0.500000 Mg\n0.466893 0.733446 0.500000 Mg\n0.266554 0.733447 0.500000 Mg\n0.066412 0.733473 0.500000 Mg\n0.667060 0.733473 0.500000 Mg\n0.866847 0.733694 0.500000 Mg\n0.866847 0.933423 0.500000 Mg\n0.066576 0.933424 0.500000 Mg\n0.667060 0.933587 0.500000 Mg\n0.266527 0.933587 0.500000 Mg\n0.466824 0.933649 0.500000 Mg\n0.400011 0.599989 0.666569 Mg\n0.199978 0.599989 0.666569 Mg\n0.400011 0.800022 0.666569 Mg\n0.800069 0.199930 0.666578 Mg\n0.399861 0.199930 0.666578 Mg\n0.800069 0.600139 0.666578 Mg\n0.200002 0.400004 0.666703 Mg\n0.599996 0.799998 0.666703 Mg\n0.200002 0.799998 0.666703 Mg\n0.599973 0.199946 0.666776 Mg\n0.599973 0.400027 0.666776 Mg\n0.800054 0.400027 0.666776 Mg\n0.000000 0.399742 0.666958 Mg\n0.399711 0.399742 0.666958 Mg\n0.000000 0.600290 0.666958 Mg\n0.600258 0.600290 0.666958 Mg\n0.600258 0.000000 0.666958 Mg\n0.399711 0.000000 0.666958 Mg\n0.000000 0.000000 0.667334 Mg\n0.199246 0.199511 0.667788 Mg\n0.000265 0.199511 0.667788 Mg\n0.000265 0.800754 0.667788 Mg\n0.800489 0.800754 0.667788 Mg\n0.199246 0.999735 0.667788 Mg\n0.800489 0.999736 0.667788 Mg\n0.267192 0.133596 0.833267 Mg\n0.866404 0.133596 0.833267 Mg\n0.866404 0.732808 0.833267 Mg\n0.466571 0.133303 0.833415 Mg\n0.666732 0.133303 0.833415 Mg\n0.466571 0.333268 0.833415 Mg\n0.866697 0.333268 0.833415 Mg\n0.866697 0.533429 0.833415 Mg\n0.666732 0.533429 0.833415 Mg\n0.266535 0.533070 0.833434 Mg\n0.466930 0.733465 0.833434 Mg\n0.266535 0.733465 0.833434 Mg\n0.666667 0.333333 0.833505 Mg\n0.466703 0.533297 0.833622 Mg\n0.066594 0.533297 0.833622 Mg\n0.466703 0.933406 0.833622 Mg\n0.265860 0.332387 0.833794 Mg\n0.066528 0.332388 0.833794 Mg\n0.667612 0.734140 0.833794 Mg\n0.066528 0.734140 0.833794 Mg\n0.265860 0.933472 0.833794 Mg\n0.667612 0.933473 0.833794 Mg\n0.064787 0.129575 0.838021 Mg\n0.064787 0.935212 0.838021 Mg\n0.870425 0.935213 0.838021 Mg\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 1.7885327314857058,
"density_atomic": 0.043945893564783706,
"volume": 3413.288201294042,
"volume_molar": 13.703534668426624,
"formula_full": "Mg149 Mn1",
"formula_reduced": "Mg149Mn",
"formula_anonymous": "AB149",
"formation_energy": 0.0052474972691536,
"spacegroup": 187
},
{
"id": "oqmd-31754",
"created_at": "2022-09-04T14:49:00.440634Z",
"updated_at": "2022-09-04T14:49:00.440671Z",
"structure_string": "Na1 Mg149\n1.0\n13.791430 -7.962490 0.000000\n0.000000 15.924979 0.000000\n0.000000 0.000000 15.627889\nMg Na\n149 1\ndirect\n0.799904 0.200096 0.000000 Mg\n0.400191 0.200096 0.000000 Mg\n0.600127 0.200254 0.000000 Mg\n0.001222 0.203646 0.000000 Mg\n0.202424 0.203646 0.000000 Mg\n0.799747 0.399873 0.000000 Mg\n0.600127 0.399873 0.000000 Mg\n0.400660 0.400895 0.000000 Mg\n0.000235 0.400895 0.000000 Mg\n0.200986 0.401973 0.000000 Mg\n0.000235 0.599340 0.000000 Mg\n0.599105 0.599340 0.000000 Mg\n0.799904 0.599808 0.000000 Mg\n0.399766 0.600234 0.000000 Mg\n0.200468 0.600234 0.000000 Mg\n0.001222 0.797576 0.000000 Mg\n0.796354 0.797577 0.000000 Mg\n0.598026 0.799013 0.000000 Mg\n0.200986 0.799013 0.000000 Mg\n0.399766 0.799532 0.000000 Mg\n0.202424 0.998777 0.000000 Mg\n0.796354 0.998777 0.000000 Mg\n0.400660 0.999765 0.000000 Mg\n0.599105 0.999765 0.000000 Mg\n0.265293 0.132647 0.165957 Mg\n0.867354 0.132647 0.165957 Mg\n0.867354 0.734707 0.165957 Mg\n0.666667 0.333333 0.166515 Mg\n0.666886 0.133104 0.166622 Mg\n0.466219 0.133105 0.166622 Mg\n0.466219 0.333114 0.166622 Mg\n0.866896 0.333114 0.166622 Mg\n0.866896 0.533781 0.166622 Mg\n0.666886 0.533782 0.166622 Mg\n0.066763 0.533382 0.167120 Mg\n0.466618 0.533382 0.167120 Mg\n0.466618 0.933236 0.167120 Mg\n0.266997 0.533994 0.167183 Mg\n0.266997 0.733003 0.167183 Mg\n0.466005 0.733003 0.167183 Mg\n0.267328 0.334603 0.167273 Mg\n0.067274 0.334603 0.167273 Mg\n0.067274 0.732672 0.167273 Mg\n0.665397 0.732672 0.167273 Mg\n0.665397 0.932725 0.167273 Mg\n0.267328 0.932725 0.167273 Mg\n0.067721 0.135442 0.169031 Mg\n0.067721 0.932279 0.169031 Mg\n0.864559 0.932279 0.169031 Mg\n0.400061 0.200030 0.332977 Mg\n0.799970 0.200031 0.332977 Mg\n0.799970 0.599939 0.332977 Mg\n0.600114 0.200228 0.333155 Mg\n0.799772 0.399886 0.333155 Mg\n0.600114 0.399886 0.333155 Mg\n0.000000 0.000000 0.333428 Mg\n0.599733 0.000200 0.333698 Mg\n0.400468 0.000200 0.333698 Mg\n0.999800 0.400267 0.333698 Mg\n0.400468 0.400267 0.333698 Mg\n0.599733 0.599533 0.333698 Mg\n0.999800 0.599533 0.333698 Mg\n0.399978 0.600022 0.333738 Mg\n0.200044 0.600022 0.333738 Mg\n0.399978 0.799957 0.333738 Mg\n0.200209 0.400418 0.333848 Mg\n0.599581 0.799791 0.333848 Mg\n0.200209 0.799791 0.333848 Mg\n0.799460 0.000115 0.333880 Mg\n0.200655 0.000115 0.333880 Mg\n0.200655 0.200540 0.333880 Mg\n0.999885 0.200540 0.333880 Mg\n0.799460 0.799345 0.333880 Mg\n0.999885 0.799345 0.333880 Mg\n0.066752 0.133503 0.500000 Mg\n0.866493 0.133507 0.500000 Mg\n0.267014 0.133507 0.500000 Mg\n0.466931 0.133692 0.500000 Mg\n0.666763 0.133693 0.500000 Mg\n0.866308 0.333238 0.500000 Mg\n0.466931 0.333238 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066893 0.333783 0.500000 Mg\n0.266890 0.333783 0.500000 Mg\n0.866308 0.533070 0.500000 Mg\n0.666763 0.533070 0.500000 Mg\n0.466621 0.533379 0.500000 Mg\n0.066757 0.533379 0.500000 Mg\n0.266837 0.533673 0.500000 Mg\n0.866493 0.732986 0.500000 Mg\n0.666217 0.733110 0.500000 Mg\n0.066893 0.733110 0.500000 Mg\n0.266837 0.733164 0.500000 Mg\n0.466327 0.733164 0.500000 Mg\n0.666217 0.933107 0.500000 Mg\n0.266890 0.933107 0.500000 Mg\n0.466621 0.933242 0.500000 Mg\n0.866498 0.933249 0.500000 Mg\n0.066752 0.933249 0.500000 Mg\n0.799460 0.000115 0.666120 Mg\n0.200655 0.000115 0.666120 Mg\n0.200655 0.200540 0.666120 Mg\n0.999885 0.200540 0.666120 Mg\n0.799460 0.799345 0.666120 Mg\n0.999885 0.799345 0.666120 Mg\n0.200209 0.400418 0.666152 Mg\n0.599581 0.799791 0.666152 Mg\n0.200209 0.799791 0.666152 Mg\n0.399978 0.600022 0.666262 Mg\n0.200044 0.600022 0.666262 Mg\n0.399978 0.799957 0.666262 Mg\n0.599733 0.000200 0.666302 Mg\n0.400468 0.000200 0.666302 Mg\n0.999800 0.400267 0.666302 Mg\n0.400468 0.400267 0.666302 Mg\n0.599733 0.599533 0.666302 Mg\n0.999800 0.599533 0.666302 Mg\n0.000000 0.000000 0.666572 Mg\n0.600114 0.200228 0.666845 Mg\n0.799772 0.399886 0.666845 Mg\n0.600114 0.399886 0.666845 Mg\n0.400061 0.200030 0.667023 Mg\n0.799970 0.200031 0.667023 Mg\n0.799970 0.599939 0.667023 Mg\n0.067721 0.135442 0.830969 Mg\n0.067721 0.932279 0.830969 Mg\n0.864559 0.932279 0.830969 Mg\n0.267328 0.334603 0.832727 Mg\n0.067274 0.334603 0.832727 Mg\n0.067274 0.732672 0.832727 Mg\n0.665397 0.732672 0.832727 Mg\n0.665397 0.932725 0.832727 Mg\n0.267328 0.932725 0.832727 Mg\n0.266997 0.533994 0.832818 Mg\n0.266997 0.733003 0.832818 Mg\n0.466005 0.733003 0.832818 Mg\n0.066763 0.533382 0.832880 Mg\n0.466618 0.533382 0.832880 Mg\n0.466618 0.933236 0.832880 Mg\n0.666886 0.133104 0.833378 Mg\n0.466219 0.133105 0.833378 Mg\n0.466219 0.333114 0.833378 Mg\n0.866896 0.333114 0.833378 Mg\n0.866896 0.533781 0.833378 Mg\n0.666886 0.533782 0.833378 Mg\n0.666667 0.333333 0.833485 Mg\n0.265293 0.132647 0.834044 Mg\n0.867354 0.132647 0.834044 Mg\n0.867354 0.734707 0.834044 Mg\n0.000000 0.000000 0.000000 Na\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Na"
],
"chemical_system": "Mg-Na",
"density": 1.7631562181448814,
"density_atomic": 0.04370214698603917,
"volume": 3432.3256486212936,
"volume_molar": 13.779965460103819,
"formula_full": "Na1 Mg149",
"formula_reduced": "NaMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0018610058887634,
"spacegroup": 187
}
]
}