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{
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{
"id": "oqmd-31774",
"created_at": "2022-09-04T14:49:01.171043Z",
"updated_at": "2022-09-04T14:49:01.171081Z",
"structure_string": "Mg149 Sb1\n1.0\n13.793912 -7.963922 0.000000\n0.000000 15.927846 0.000000\n0.000000 0.000000 15.631900\nMg Sb\n149 1\ndirect\n0.799370 0.001216 0.000000 Mg\n0.201846 0.001216 0.000000 Mg\n0.799996 0.200004 0.000000 Mg\n0.400008 0.200004 0.000000 Mg\n0.600136 0.200273 0.000000 Mg\n0.998784 0.200630 0.000000 Mg\n0.201846 0.200630 0.000000 Mg\n0.199343 0.398686 0.000000 Mg\n0.600136 0.399863 0.000000 Mg\n0.799727 0.399863 0.000000 Mg\n0.000254 0.400895 0.000000 Mg\n0.400641 0.400896 0.000000 Mg\n0.000254 0.599359 0.000000 Mg\n0.599104 0.599359 0.000000 Mg\n0.799996 0.599993 0.000000 Mg\n0.200021 0.600010 0.000000 Mg\n0.399990 0.600011 0.000000 Mg\n0.998784 0.798154 0.000000 Mg\n0.799370 0.798154 0.000000 Mg\n0.399990 0.799979 0.000000 Mg\n0.601315 0.800657 0.000000 Mg\n0.199343 0.800657 0.000000 Mg\n0.599104 0.999745 0.000000 Mg\n0.400641 0.999746 0.000000 Mg\n0.266301 0.332496 0.166306 Mg\n0.066196 0.332497 0.166306 Mg\n0.667503 0.733699 0.166306 Mg\n0.066196 0.733699 0.166306 Mg\n0.266301 0.933804 0.166306 Mg\n0.667503 0.933804 0.166306 Mg\n0.466693 0.133280 0.166348 Mg\n0.666587 0.133280 0.166348 Mg\n0.866720 0.333413 0.166348 Mg\n0.466693 0.333413 0.166348 Mg\n0.666587 0.533307 0.166348 Mg\n0.866720 0.533307 0.166348 Mg\n0.266431 0.532861 0.166354 Mg\n0.266431 0.733569 0.166354 Mg\n0.467139 0.733569 0.166354 Mg\n0.666667 0.333333 0.166369 Mg\n0.066774 0.533387 0.166594 Mg\n0.466613 0.533387 0.166594 Mg\n0.466613 0.933226 0.166594 Mg\n0.866480 0.133520 0.167290 Mg\n0.267040 0.133520 0.167290 Mg\n0.866480 0.732960 0.167290 Mg\n0.066972 0.133944 0.168070 Mg\n0.866055 0.933027 0.168070 Mg\n0.066972 0.933028 0.168070 Mg\n0.199800 0.399600 0.332887 Mg\n0.600400 0.800200 0.332887 Mg\n0.199800 0.800200 0.332887 Mg\n0.000000 0.000000 0.332899 Mg\n0.399966 0.199983 0.333110 Mg\n0.800017 0.199983 0.333110 Mg\n0.800017 0.600034 0.333110 Mg\n0.600001 0.200001 0.333123 Mg\n0.799999 0.399999 0.333123 Mg\n0.600001 0.400000 0.333123 Mg\n0.399889 0.000000 0.333160 Mg\n0.600129 0.000000 0.333160 Mg\n0.000000 0.399871 0.333160 Mg\n0.399889 0.399871 0.333160 Mg\n0.000000 0.600111 0.333160 Mg\n0.600129 0.600111 0.333160 Mg\n0.399997 0.600002 0.333221 Mg\n0.200005 0.600002 0.333221 Mg\n0.399997 0.799995 0.333221 Mg\n0.800096 0.000000 0.333820 Mg\n0.199980 0.000000 0.333820 Mg\n0.199980 0.199905 0.333820 Mg\n0.000000 0.199905 0.333820 Mg\n0.000000 0.800021 0.333820 Mg\n0.800096 0.800021 0.333820 Mg\n0.066588 0.133176 0.500000 Mg\n0.666545 0.133333 0.500000 Mg\n0.466789 0.133334 0.500000 Mg\n0.266726 0.133363 0.500000 Mg\n0.866637 0.133363 0.500000 Mg\n0.266594 0.333262 0.500000 Mg\n0.066669 0.333263 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466789 0.333455 0.500000 Mg\n0.866666 0.333455 0.500000 Mg\n0.666545 0.533211 0.500000 Mg\n0.866666 0.533212 0.500000 Mg\n0.266697 0.533394 0.500000 Mg\n0.066823 0.533411 0.500000 Mg\n0.466588 0.533411 0.500000 Mg\n0.866637 0.733274 0.500000 Mg\n0.466606 0.733303 0.500000 Mg\n0.266697 0.733303 0.500000 Mg\n0.666738 0.733407 0.500000 Mg\n0.066669 0.733407 0.500000 Mg\n0.466588 0.933177 0.500000 Mg\n0.266594 0.933331 0.500000 Mg\n0.666738 0.933331 0.500000 Mg\n0.866824 0.933412 0.500000 Mg\n0.066588 0.933412 0.500000 Mg\n0.800096 0.000000 0.666180 Mg\n0.199980 0.000000 0.666180 Mg\n0.199980 0.199905 0.666180 Mg\n0.000000 0.199905 0.666180 Mg\n0.000000 0.800021 0.666180 Mg\n0.800096 0.800021 0.666180 Mg\n0.399997 0.600002 0.666779 Mg\n0.200005 0.600002 0.666779 Mg\n0.399997 0.799995 0.666779 Mg\n0.399889 0.000000 0.666840 Mg\n0.600129 0.000000 0.666840 Mg\n0.000000 0.399871 0.666840 Mg\n0.399889 0.399871 0.666840 Mg\n0.000000 0.600111 0.666840 Mg\n0.600129 0.600111 0.666840 Mg\n0.600001 0.200001 0.666876 Mg\n0.799999 0.399999 0.666876 Mg\n0.600001 0.400000 0.666876 Mg\n0.399966 0.199983 0.666890 Mg\n0.800017 0.199983 0.666890 Mg\n0.800017 0.600034 0.666890 Mg\n0.000000 0.000000 0.667101 Mg\n0.199800 0.399600 0.667113 Mg\n0.600400 0.800200 0.667113 Mg\n0.199800 0.800200 0.667113 Mg\n0.066972 0.133944 0.831930 Mg\n0.866055 0.933027 0.831930 Mg\n0.066972 0.933028 0.831930 Mg\n0.866480 0.133520 0.832710 Mg\n0.267040 0.133520 0.832710 Mg\n0.866480 0.732960 0.832710 Mg\n0.066774 0.533387 0.833406 Mg\n0.466613 0.533387 0.833406 Mg\n0.466613 0.933226 0.833406 Mg\n0.666667 0.333333 0.833631 Mg\n0.266431 0.532861 0.833646 Mg\n0.266431 0.733569 0.833646 Mg\n0.467139 0.733569 0.833646 Mg\n0.466693 0.133280 0.833652 Mg\n0.666587 0.133280 0.833652 Mg\n0.866720 0.333413 0.833652 Mg\n0.466693 0.333413 0.833652 Mg\n0.666587 0.533307 0.833652 Mg\n0.866720 0.533307 0.833652 Mg\n0.266301 0.332496 0.833694 Mg\n0.066196 0.332497 0.833694 Mg\n0.667503 0.733699 0.833694 Mg\n0.066196 0.733699 0.833694 Mg\n0.266301 0.933804 0.833694 Mg\n0.667503 0.933804 0.833694 Mg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 1.8098244146985876,
"density_atomic": 0.04367520899856931,
"volume": 3434.442637811158,
"volume_molar": 13.78846466469633,
"formula_full": "Mg149 Sb1",
"formula_reduced": "Mg149Sb",
"formula_anonymous": "AB149",
"formation_energy": -0.0025410637388921,
"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-31756",
"created_at": "2022-09-04T14:49:00.540081Z",
"updated_at": "2022-09-04T14:49:00.540105Z",
"structure_string": "Nd1 Mg149\n1.0\n13.826533 -7.982756 0.000000\n0.000000 15.965512 0.000000\n0.000000 0.000000 15.626301\nMg Nd\n149 1\ndirect\n0.599978 0.199957 0.000000 Mg\n0.401339 0.200670 0.000000 Mg\n0.799331 0.200670 0.000000 Mg\n0.003413 0.206073 0.000000 Mg\n0.202660 0.206073 0.000000 Mg\n0.599978 0.400021 0.000000 Mg\n0.800043 0.400021 0.000000 Mg\n0.400159 0.400344 0.000000 Mg\n0.000186 0.400344 0.000000 Mg\n0.201755 0.403509 0.000000 Mg\n0.799331 0.598660 0.000000 Mg\n0.000186 0.599841 0.000000 Mg\n0.599656 0.599841 0.000000 Mg\n0.399718 0.600283 0.000000 Mg\n0.200565 0.600283 0.000000 Mg\n0.003413 0.797340 0.000000 Mg\n0.793927 0.797340 0.000000 Mg\n0.201755 0.798246 0.000000 Mg\n0.596491 0.798246 0.000000 Mg\n0.399718 0.799435 0.000000 Mg\n0.793927 0.996587 0.000000 Mg\n0.202660 0.996587 0.000000 Mg\n0.599656 0.999814 0.000000 Mg\n0.400159 0.999815 0.000000 Mg\n0.262869 0.131435 0.164359 Mg\n0.868566 0.131435 0.164359 Mg\n0.868566 0.737131 0.164359 Mg\n0.666667 0.333333 0.166292 Mg\n0.465333 0.132744 0.166483 Mg\n0.667411 0.132744 0.166483 Mg\n0.867256 0.332589 0.166483 Mg\n0.465333 0.332589 0.166483 Mg\n0.667411 0.534667 0.166483 Mg\n0.867256 0.534667 0.166483 Mg\n0.466693 0.533307 0.167331 Mg\n0.066615 0.533308 0.167331 Mg\n0.466693 0.933385 0.167331 Mg\n0.267201 0.534402 0.167478 Mg\n0.267201 0.732799 0.167478 Mg\n0.465598 0.732799 0.167478 Mg\n0.068008 0.336123 0.167802 Mg\n0.268116 0.336123 0.167802 Mg\n0.068008 0.731884 0.167802 Mg\n0.663877 0.731884 0.167802 Mg\n0.663877 0.931993 0.167802 Mg\n0.268116 0.931993 0.167802 Mg\n0.068205 0.136411 0.170402 Mg\n0.068205 0.931794 0.170402 Mg\n0.863590 0.931795 0.170402 Mg\n0.800070 0.199930 0.332829 Mg\n0.399859 0.199930 0.332829 Mg\n0.800070 0.600141 0.332829 Mg\n0.600085 0.200169 0.332922 Mg\n0.799831 0.399916 0.332922 Mg\n0.600085 0.399916 0.332922 Mg\n0.200682 0.000000 0.333684 Mg\n0.799404 0.000000 0.333684 Mg\n0.000000 0.200595 0.333684 Mg\n0.200682 0.200596 0.333684 Mg\n0.799404 0.799318 0.333684 Mg\n0.000000 0.799318 0.333684 Mg\n0.599721 0.000213 0.333758 Mg\n0.400492 0.000213 0.333758 Mg\n0.400492 0.400279 0.333758 Mg\n0.999787 0.400279 0.333758 Mg\n0.999787 0.599508 0.333758 Mg\n0.599721 0.599508 0.333758 Mg\n0.399958 0.600042 0.333897 Mg\n0.200085 0.600043 0.333897 Mg\n0.399958 0.799915 0.333897 Mg\n0.200321 0.400641 0.334160 Mg\n0.200321 0.799679 0.334160 Mg\n0.599359 0.799680 0.334160 Mg\n0.000000 0.000000 0.334468 Mg\n0.866504 0.133495 0.500000 Mg\n0.266991 0.133496 0.500000 Mg\n0.066790 0.133581 0.500000 Mg\n0.467165 0.134276 0.500000 Mg\n0.667112 0.134277 0.500000 Mg\n0.865723 0.332888 0.500000 Mg\n0.467165 0.332888 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266916 0.333689 0.500000 Mg\n0.066774 0.333690 0.500000 Mg\n0.865723 0.532835 0.500000 Mg\n0.667112 0.532836 0.500000 Mg\n0.466859 0.533141 0.500000 Mg\n0.066282 0.533141 0.500000 Mg\n0.266764 0.533528 0.500000 Mg\n0.866504 0.733009 0.500000 Mg\n0.666310 0.733084 0.500000 Mg\n0.066774 0.733084 0.500000 Mg\n0.266764 0.733236 0.500000 Mg\n0.466472 0.733236 0.500000 Mg\n0.066790 0.933210 0.500000 Mg\n0.866420 0.933210 0.500000 Mg\n0.666310 0.933226 0.500000 Mg\n0.266916 0.933226 0.500000 Mg\n0.466859 0.933718 0.500000 Mg\n0.000000 0.000000 0.665532 Mg\n0.200321 0.400641 0.665840 Mg\n0.200321 0.799679 0.665840 Mg\n0.599359 0.799680 0.665840 Mg\n0.399958 0.600042 0.666103 Mg\n0.200085 0.600043 0.666103 Mg\n0.399958 0.799915 0.666103 Mg\n0.599721 0.000213 0.666242 Mg\n0.400492 0.000213 0.666242 Mg\n0.400492 0.400279 0.666242 Mg\n0.999787 0.400279 0.666242 Mg\n0.999787 0.599508 0.666242 Mg\n0.599721 0.599508 0.666242 Mg\n0.200682 0.000000 0.666316 Mg\n0.799404 0.000000 0.666316 Mg\n0.000000 0.200595 0.666316 Mg\n0.200682 0.200596 0.666316 Mg\n0.799404 0.799318 0.666316 Mg\n0.000000 0.799318 0.666316 Mg\n0.600085 0.200169 0.667078 Mg\n0.799831 0.399916 0.667078 Mg\n0.600085 0.399916 0.667078 Mg\n0.800070 0.199930 0.667171 Mg\n0.399859 0.199930 0.667171 Mg\n0.800070 0.600141 0.667171 Mg\n0.068205 0.136411 0.829597 Mg\n0.068205 0.931794 0.829597 Mg\n0.863590 0.931795 0.829597 Mg\n0.068008 0.336123 0.832198 Mg\n0.268116 0.336123 0.832198 Mg\n0.068008 0.731884 0.832198 Mg\n0.663877 0.731884 0.832198 Mg\n0.663877 0.931993 0.832198 Mg\n0.268116 0.931993 0.832198 Mg\n0.267201 0.534402 0.832522 Mg\n0.267201 0.732799 0.832522 Mg\n0.465598 0.732799 0.832522 Mg\n0.466693 0.533307 0.832669 Mg\n0.066615 0.533308 0.832669 Mg\n0.466693 0.933385 0.832669 Mg\n0.465333 0.132744 0.833517 Mg\n0.667411 0.132744 0.833517 Mg\n0.867256 0.332589 0.833517 Mg\n0.465333 0.332589 0.833517 Mg\n0.667411 0.534667 0.833517 Mg\n0.867256 0.534667 0.833517 Mg\n0.666667 0.333333 0.833708 Mg\n0.262869 0.131435 0.835641 Mg\n0.868566 0.131435 0.835641 Mg\n0.868566 0.737131 0.835641 Mg\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Nd"
],
"chemical_system": "Mg-Nd",
"density": 1.8127628229077652,
"density_atomic": 0.0434849453279764,
"volume": 3449.4696697593927,
"volume_molar": 13.84879459909452,
"formula_full": "Nd1 Mg149",
"formula_reduced": "NdMg149",
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"spacegroup": 187
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{
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"created_at": "2022-09-04T14:49:00.839572Z",
"updated_at": "2022-09-04T14:49:00.839591Z",
"structure_string": "Mg149 Nb1\n1.0\n13.797427 -7.965952 0.000000\n0.000000 15.931904 0.000000\n0.000000 0.000000 15.569607\nMg Nb\n149 1\ndirect\n0.602662 0.000424 0.000000 Mg\n0.397762 0.000424 0.000000 Mg\n0.193348 0.193520 0.000000 Mg\n0.000172 0.193520 0.000000 Mg\n0.599621 0.199243 0.000000 Mg\n0.399876 0.199938 0.000000 Mg\n0.800062 0.199938 0.000000 Mg\n0.397762 0.397337 0.000000 Mg\n0.999576 0.397338 0.000000 Mg\n0.199644 0.399288 0.000000 Mg\n0.599621 0.400379 0.000000 Mg\n0.800757 0.400379 0.000000 Mg\n0.199631 0.599816 0.000000 Mg\n0.400184 0.599816 0.000000 Mg\n0.800062 0.600124 0.000000 Mg\n0.602662 0.602238 0.000000 Mg\n0.999576 0.602238 0.000000 Mg\n0.199644 0.800356 0.000000 Mg\n0.600712 0.800356 0.000000 Mg\n0.400184 0.800369 0.000000 Mg\n0.000172 0.806652 0.000000 Mg\n0.806480 0.806652 0.000000 Mg\n0.193348 0.999828 0.000000 Mg\n0.806480 0.999828 0.000000 Mg\n0.064512 0.129024 0.161140 Mg\n0.870976 0.935488 0.161140 Mg\n0.064512 0.935488 0.161140 Mg\n0.266632 0.133316 0.166060 Mg\n0.866684 0.133316 0.166060 Mg\n0.866684 0.733368 0.166060 Mg\n0.066544 0.533272 0.166363 Mg\n0.466728 0.533272 0.166363 Mg\n0.466728 0.933456 0.166363 Mg\n0.266160 0.333153 0.166485 Mg\n0.066993 0.333153 0.166485 Mg\n0.666847 0.733839 0.166485 Mg\n0.066993 0.733840 0.166485 Mg\n0.666847 0.933007 0.166485 Mg\n0.266160 0.933007 0.166485 Mg\n0.666667 0.333334 0.166727 Mg\n0.666930 0.133210 0.166743 Mg\n0.466280 0.133210 0.166743 Mg\n0.466280 0.333070 0.166743 Mg\n0.866791 0.333070 0.166743 Mg\n0.866791 0.533720 0.166743 Mg\n0.666930 0.533720 0.166743 Mg\n0.266794 0.533588 0.166960 Mg\n0.466412 0.733206 0.166960 Mg\n0.266794 0.733207 0.166960 Mg\n0.199102 0.199392 0.331396 Mg\n0.000289 0.199392 0.331396 Mg\n0.000289 0.800898 0.331396 Mg\n0.800608 0.800898 0.331396 Mg\n0.199102 0.999710 0.331396 Mg\n0.800608 0.999711 0.331396 Mg\n0.600250 0.000000 0.333140 Mg\n0.399763 0.000000 0.333140 Mg\n0.000000 0.399750 0.333140 Mg\n0.399763 0.399750 0.333140 Mg\n0.600250 0.600237 0.333140 Mg\n0.000000 0.600237 0.333140 Mg\n0.600004 0.200008 0.333321 Mg\n0.600004 0.399996 0.333321 Mg\n0.799993 0.399996 0.333321 Mg\n0.000000 0.000000 0.333342 Mg\n0.399959 0.199980 0.333550 Mg\n0.800020 0.199980 0.333550 Mg\n0.800020 0.600040 0.333550 Mg\n0.200188 0.400376 0.333750 Mg\n0.599624 0.799812 0.333750 Mg\n0.200188 0.799812 0.333750 Mg\n0.399967 0.600033 0.333866 Mg\n0.200066 0.600033 0.333866 Mg\n0.399967 0.799934 0.333866 Mg\n0.266151 0.133076 0.500000 Mg\n0.866925 0.133076 0.500000 Mg\n0.066657 0.133314 0.500000 Mg\n0.467024 0.134112 0.500000 Mg\n0.667088 0.134112 0.500000 Mg\n0.266528 0.332902 0.500000 Mg\n0.066374 0.332902 0.500000 Mg\n0.467024 0.332912 0.500000 Mg\n0.865888 0.332912 0.500000 Mg\n0.666667 0.333334 0.500000 Mg\n0.667088 0.532976 0.500000 Mg\n0.865888 0.532976 0.500000 Mg\n0.466986 0.533014 0.500000 Mg\n0.066028 0.533014 0.500000 Mg\n0.266526 0.533051 0.500000 Mg\n0.066374 0.733472 0.500000 Mg\n0.667098 0.733472 0.500000 Mg\n0.466949 0.733474 0.500000 Mg\n0.266526 0.733474 0.500000 Mg\n0.866925 0.733849 0.500000 Mg\n0.866686 0.933343 0.500000 Mg\n0.066657 0.933343 0.500000 Mg\n0.266528 0.933626 0.500000 Mg\n0.667098 0.933626 0.500000 Mg\n0.466986 0.933972 0.500000 Mg\n0.399967 0.600033 0.666134 Mg\n0.200066 0.600033 0.666134 Mg\n0.399967 0.799934 0.666134 Mg\n0.200188 0.400376 0.666250 Mg\n0.599624 0.799812 0.666250 Mg\n0.200188 0.799812 0.666250 Mg\n0.399959 0.199980 0.666449 Mg\n0.800020 0.199980 0.666449 Mg\n0.800020 0.600040 0.666449 Mg\n0.000000 0.000000 0.666658 Mg\n0.600004 0.200008 0.666678 Mg\n0.600004 0.399996 0.666678 Mg\n0.799993 0.399996 0.666678 Mg\n0.600250 0.000000 0.666860 Mg\n0.399763 0.000000 0.666860 Mg\n0.000000 0.399750 0.666860 Mg\n0.399763 0.399750 0.666860 Mg\n0.600250 0.600237 0.666860 Mg\n0.000000 0.600237 0.666860 Mg\n0.199102 0.199392 0.668604 Mg\n0.000289 0.199392 0.668604 Mg\n0.000289 0.800898 0.668604 Mg\n0.800608 0.800898 0.668604 Mg\n0.199102 0.999710 0.668604 Mg\n0.800608 0.999711 0.668604 Mg\n0.266794 0.533588 0.833040 Mg\n0.466412 0.733206 0.833040 Mg\n0.266794 0.733207 0.833040 Mg\n0.666930 0.133210 0.833256 Mg\n0.466280 0.133210 0.833256 Mg\n0.466280 0.333070 0.833256 Mg\n0.866791 0.333070 0.833256 Mg\n0.866791 0.533720 0.833256 Mg\n0.666930 0.533720 0.833256 Mg\n0.666667 0.333334 0.833273 Mg\n0.266160 0.333153 0.833515 Mg\n0.066993 0.333153 0.833515 Mg\n0.666847 0.733839 0.833515 Mg\n0.066993 0.733840 0.833515 Mg\n0.666847 0.933007 0.833515 Mg\n0.266160 0.933007 0.833515 Mg\n0.066544 0.533272 0.833637 Mg\n0.466728 0.533272 0.833637 Mg\n0.466728 0.933456 0.833637 Mg\n0.266632 0.133316 0.833940 Mg\n0.866684 0.133316 0.833940 Mg\n0.866684 0.733368 0.833940 Mg\n0.064512 0.129024 0.838859 Mg\n0.870976 0.935488 0.838859 Mg\n0.064512 0.935488 0.838859 Mg\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 1.8021405011615792,
"density_atomic": 0.043827613467640414,
"volume": 3422.499838161407,
"volume_molar": 13.740517184323476,
"formula_full": "Mg149 Nb1",
"formula_reduced": "Mg149Nb",
"formula_anonymous": "AB149",
"formation_energy": 0.0068114045611078,
"spacegroup": 187
},
{
"id": "oqmd-31784",
"created_at": "2022-09-04T14:49:01.232895Z",
"updated_at": "2022-09-04T14:49:01.232936Z",
"structure_string": "Mg149 Te1\n1.0\n13.800831 -7.967917 0.000000\n0.000000 15.935834 0.000000\n0.000000 0.000000 15.640723\nMg Te\n149 1\ndirect\n0.797733 0.001332 0.000000 Mg\n0.203599 0.001332 0.000000 Mg\n0.400392 0.200196 0.000000 Mg\n0.799804 0.200196 0.000000 Mg\n0.600225 0.200451 0.000000 Mg\n0.998668 0.202266 0.000000 Mg\n0.203599 0.202267 0.000000 Mg\n0.199489 0.398978 0.000000 Mg\n0.799549 0.399774 0.000000 Mg\n0.600225 0.399775 0.000000 Mg\n0.000403 0.401504 0.000000 Mg\n0.401101 0.401504 0.000000 Mg\n0.598496 0.598898 0.000000 Mg\n0.000403 0.598899 0.000000 Mg\n0.799804 0.599608 0.000000 Mg\n0.399874 0.600126 0.000000 Mg\n0.200252 0.600126 0.000000 Mg\n0.797733 0.796401 0.000000 Mg\n0.998668 0.796402 0.000000 Mg\n0.399874 0.799748 0.000000 Mg\n0.199489 0.800511 0.000000 Mg\n0.601023 0.800511 0.000000 Mg\n0.598496 0.999597 0.000000 Mg\n0.401101 0.999598 0.000000 Mg\n0.666666 0.333333 0.166235 Mg\n0.666640 0.133212 0.166260 Mg\n0.466573 0.133212 0.166260 Mg\n0.466573 0.333360 0.166260 Mg\n0.866788 0.333360 0.166260 Mg\n0.666640 0.533427 0.166260 Mg\n0.866788 0.533428 0.166260 Mg\n0.266447 0.532894 0.166356 Mg\n0.467105 0.733553 0.166356 Mg\n0.266447 0.733553 0.166356 Mg\n0.266527 0.332769 0.166417 Mg\n0.066242 0.332770 0.166417 Mg\n0.066242 0.733472 0.166417 Mg\n0.667230 0.733472 0.166417 Mg\n0.667230 0.933757 0.166417 Mg\n0.266527 0.933758 0.166417 Mg\n0.466586 0.533415 0.166761 Mg\n0.066829 0.533415 0.166761 Mg\n0.466586 0.933171 0.166761 Mg\n0.266544 0.133272 0.167248 Mg\n0.866728 0.133273 0.167248 Mg\n0.866728 0.733456 0.167248 Mg\n0.067465 0.134929 0.169476 Mg\n0.067465 0.932536 0.169476 Mg\n0.865071 0.932536 0.169476 Mg\n0.000000 0.000000 0.332611 Mg\n0.199789 0.399577 0.332868 Mg\n0.199789 0.800212 0.332868 Mg\n0.600423 0.800212 0.332868 Mg\n0.800009 0.199991 0.332989 Mg\n0.399982 0.199991 0.332989 Mg\n0.800009 0.600018 0.332989 Mg\n0.600025 0.200051 0.333051 Mg\n0.600025 0.399974 0.333051 Mg\n0.799949 0.399974 0.333051 Mg\n0.200023 0.600012 0.333215 Mg\n0.399988 0.600012 0.333215 Mg\n0.399988 0.799977 0.333215 Mg\n0.400020 0.000000 0.333261 Mg\n0.600030 0.000000 0.333261 Mg\n0.400020 0.399970 0.333261 Mg\n0.000000 0.399970 0.333261 Mg\n0.600030 0.599980 0.333261 Mg\n0.000000 0.599980 0.333261 Mg\n0.799847 0.000121 0.334237 Mg\n0.200275 0.000122 0.334237 Mg\n0.200275 0.200153 0.334237 Mg\n0.999878 0.200153 0.334237 Mg\n0.999878 0.799725 0.334237 Mg\n0.799847 0.799725 0.334237 Mg\n0.066592 0.133183 0.500000 Mg\n0.666582 0.133405 0.500000 Mg\n0.466824 0.133406 0.500000 Mg\n0.266880 0.133440 0.500000 Mg\n0.866559 0.133440 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866594 0.333418 0.500000 Mg\n0.466824 0.333418 0.500000 Mg\n0.066768 0.333430 0.500000 Mg\n0.266662 0.333430 0.500000 Mg\n0.866594 0.533176 0.500000 Mg\n0.666582 0.533176 0.500000 Mg\n0.466555 0.533445 0.500000 Mg\n0.066889 0.533445 0.500000 Mg\n0.266740 0.533481 0.500000 Mg\n0.866559 0.733119 0.500000 Mg\n0.466519 0.733260 0.500000 Mg\n0.266740 0.733260 0.500000 Mg\n0.666571 0.733338 0.500000 Mg\n0.066768 0.733338 0.500000 Mg\n0.466555 0.933110 0.500000 Mg\n0.666571 0.933233 0.500000 Mg\n0.266662 0.933233 0.500000 Mg\n0.866817 0.933409 0.500000 Mg\n0.066592 0.933409 0.500000 Mg\n0.799847 0.000121 0.665763 Mg\n0.200275 0.000122 0.665763 Mg\n0.200275 0.200153 0.665763 Mg\n0.999878 0.200153 0.665763 Mg\n0.999878 0.799725 0.665763 Mg\n0.799847 0.799725 0.665763 Mg\n0.400020 0.000000 0.666738 Mg\n0.600030 0.000000 0.666738 Mg\n0.400020 0.399970 0.666738 Mg\n0.000000 0.399970 0.666738 Mg\n0.600030 0.599980 0.666738 Mg\n0.000000 0.599980 0.666738 Mg\n0.200023 0.600012 0.666784 Mg\n0.399988 0.600012 0.666784 Mg\n0.399988 0.799977 0.666784 Mg\n0.600025 0.200051 0.666949 Mg\n0.600025 0.399974 0.666949 Mg\n0.799949 0.399974 0.666949 Mg\n0.800009 0.199991 0.667011 Mg\n0.399982 0.199991 0.667011 Mg\n0.800009 0.600018 0.667011 Mg\n0.199789 0.399577 0.667132 Mg\n0.199789 0.800212 0.667132 Mg\n0.600423 0.800212 0.667132 Mg\n0.000000 0.000000 0.667389 Mg\n0.067465 0.134929 0.830524 Mg\n0.067465 0.932536 0.830524 Mg\n0.865071 0.932536 0.830524 Mg\n0.266544 0.133272 0.832752 Mg\n0.866728 0.133273 0.832752 Mg\n0.866728 0.733456 0.832752 Mg\n0.466586 0.533415 0.833239 Mg\n0.066829 0.533415 0.833239 Mg\n0.466586 0.933171 0.833239 Mg\n0.266527 0.332769 0.833582 Mg\n0.066242 0.332770 0.833582 Mg\n0.066242 0.733472 0.833582 Mg\n0.667230 0.733472 0.833582 Mg\n0.667230 0.933757 0.833582 Mg\n0.266527 0.933758 0.833582 Mg\n0.266447 0.532894 0.833644 Mg\n0.467105 0.733553 0.833644 Mg\n0.266447 0.733553 0.833644 Mg\n0.666640 0.133212 0.833741 Mg\n0.466573 0.133212 0.833741 Mg\n0.466573 0.333360 0.833741 Mg\n0.866788 0.333360 0.833741 Mg\n0.666640 0.533427 0.833741 Mg\n0.866788 0.533428 0.833741 Mg\n0.666666 0.333333 0.833765 Mg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Te"
],
"chemical_system": "Mg-Te",
"density": 1.8098096154290595,
"density_atomic": 0.04360681822976932,
"volume": 3439.8290471373725,
"volume_molar": 13.810089808131956,
"formula_full": "Mg149 Te1",
"formula_reduced": "Mg149Te",
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"formation_energy": -0.003203210527781,
"spacegroup": 187
},
{
"id": "oqmd-31771",
"created_at": "2022-09-04T14:49:01.726979Z",
"updated_at": "2022-09-04T14:49:01.727009Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh",
"density": 1.8167775799075567,
"density_atomic": 0.04406495972759435,
"volume": 3404.0652919527583,
"volume_molar": 13.666506896246672,
"formula_full": "Mg149 Rh1",
"formula_reduced": "Mg149Rh",
"formula_anonymous": "AB149",
"formation_energy": -0.0065548059055589,
"spacegroup": 187
},
{
"id": "oqmd-31785",
"created_at": "2022-09-04T14:49:01.357428Z",
"updated_at": "2022-09-04T14:49:01.357455Z",
"structure_string": "Th1 Mg149\n1.0\n13.825206 -7.981990 0.000000\n0.000000 15.963979 0.000000\n0.000000 0.000000 15.625149\nMg Th\n149 1\ndirect\n0.599920 0.199840 0.000000 Mg\n0.799245 0.200754 0.000000 Mg\n0.401509 0.200754 0.000000 Mg\n0.202952 0.206744 0.000000 Mg\n0.003792 0.206744 0.000000 Mg\n0.800160 0.400080 0.000000 Mg\n0.599920 0.400080 0.000000 Mg\n0.400220 0.400407 0.000000 Mg\n0.000187 0.400408 0.000000 Mg\n0.201850 0.403700 0.000000 Mg\n0.799245 0.598491 0.000000 Mg\n0.599592 0.599779 0.000000 Mg\n0.000187 0.599779 0.000000 Mg\n0.200487 0.600243 0.000000 Mg\n0.399757 0.600244 0.000000 Mg\n0.003792 0.797048 0.000000 Mg\n0.793256 0.797048 0.000000 Mg\n0.596299 0.798150 0.000000 Mg\n0.201850 0.798150 0.000000 Mg\n0.399757 0.799513 0.000000 Mg\n0.202952 0.996208 0.000000 Mg\n0.793256 0.996208 0.000000 Mg\n0.400220 0.999812 0.000000 Mg\n0.599592 0.999812 0.000000 Mg\n0.868802 0.131197 0.163958 Mg\n0.262395 0.131197 0.163958 Mg\n0.868802 0.737605 0.163958 Mg\n0.666666 0.333333 0.166348 Mg\n0.465299 0.132749 0.166454 Mg\n0.667450 0.132749 0.166454 Mg\n0.867251 0.332550 0.166454 Mg\n0.465299 0.332550 0.166454 Mg\n0.667450 0.534701 0.166454 Mg\n0.867251 0.534701 0.166454 Mg\n0.466674 0.533326 0.167232 Mg\n0.066651 0.533326 0.167232 Mg\n0.466674 0.933349 0.167232 Mg\n0.267244 0.534489 0.167499 Mg\n0.465511 0.732755 0.167499 Mg\n0.267244 0.732755 0.167499 Mg\n0.268260 0.336295 0.167845 Mg\n0.068034 0.336295 0.167845 Mg\n0.663705 0.731740 0.167845 Mg\n0.068034 0.731740 0.167845 Mg\n0.268260 0.931965 0.167845 Mg\n0.663705 0.931965 0.167845 Mg\n0.068472 0.136944 0.170681 Mg\n0.863055 0.931528 0.170681 Mg\n0.068472 0.931528 0.170681 Mg\n0.800119 0.199881 0.332773 Mg\n0.399762 0.199881 0.332773 Mg\n0.800119 0.600238 0.332773 Mg\n0.600096 0.200193 0.332913 Mg\n0.600096 0.399903 0.332913 Mg\n0.799807 0.399904 0.332913 Mg\n0.200722 0.000170 0.333612 Mg\n0.799448 0.000170 0.333612 Mg\n0.200722 0.200551 0.333612 Mg\n0.999830 0.200551 0.333612 Mg\n0.999830 0.799278 0.333612 Mg\n0.799448 0.799278 0.333612 Mg\n0.599768 0.000223 0.333745 Mg\n0.400455 0.000223 0.333745 Mg\n0.400455 0.400231 0.333745 Mg\n0.999777 0.400232 0.333745 Mg\n0.599768 0.599545 0.333745 Mg\n0.999777 0.599545 0.333745 Mg\n0.200093 0.600047 0.333981 Mg\n0.399954 0.600047 0.333981 Mg\n0.399954 0.799907 0.333981 Mg\n0.200296 0.400593 0.334212 Mg\n0.200296 0.799703 0.334212 Mg\n0.599407 0.799703 0.334212 Mg\n0.000000 0.000000 0.334563 Mg\n0.266886 0.133443 0.500000 Mg\n0.866557 0.133443 0.500000 Mg\n0.066804 0.133608 0.500000 Mg\n0.667176 0.134365 0.500000 Mg\n0.467189 0.134366 0.500000 Mg\n0.865634 0.332823 0.500000 Mg\n0.467189 0.332824 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266899 0.333585 0.500000 Mg\n0.066685 0.333585 0.500000 Mg\n0.865634 0.532810 0.500000 Mg\n0.667176 0.532811 0.500000 Mg\n0.466907 0.533093 0.500000 Mg\n0.066186 0.533093 0.500000 Mg\n0.266717 0.533434 0.500000 Mg\n0.666415 0.733100 0.500000 Mg\n0.066685 0.733101 0.500000 Mg\n0.866557 0.733114 0.500000 Mg\n0.266717 0.733283 0.500000 Mg\n0.466566 0.733283 0.500000 Mg\n0.866392 0.933196 0.500000 Mg\n0.066804 0.933197 0.500000 Mg\n0.266899 0.933315 0.500000 Mg\n0.666415 0.933315 0.500000 Mg\n0.466907 0.933814 0.500000 Mg\n0.000000 0.000000 0.665437 Mg\n0.200296 0.400593 0.665788 Mg\n0.200296 0.799703 0.665788 Mg\n0.599407 0.799703 0.665788 Mg\n0.200093 0.600047 0.666019 Mg\n0.399954 0.600047 0.666019 Mg\n0.399954 0.799907 0.666019 Mg\n0.599768 0.000223 0.666255 Mg\n0.400455 0.000223 0.666255 Mg\n0.400455 0.400231 0.666255 Mg\n0.999777 0.400232 0.666255 Mg\n0.599768 0.599545 0.666255 Mg\n0.999777 0.599545 0.666255 Mg\n0.200722 0.000170 0.666388 Mg\n0.799448 0.000170 0.666388 Mg\n0.200722 0.200551 0.666388 Mg\n0.999830 0.200551 0.666388 Mg\n0.999830 0.799278 0.666388 Mg\n0.799448 0.799278 0.666388 Mg\n0.600096 0.200193 0.667087 Mg\n0.600096 0.399903 0.667087 Mg\n0.799807 0.399904 0.667087 Mg\n0.800119 0.199881 0.667228 Mg\n0.399762 0.199881 0.667228 Mg\n0.800119 0.600238 0.667228 Mg\n0.068472 0.136944 0.829319 Mg\n0.863055 0.931528 0.829319 Mg\n0.068472 0.931528 0.829319 Mg\n0.268260 0.336295 0.832155 Mg\n0.068034 0.336295 0.832155 Mg\n0.663705 0.731740 0.832155 Mg\n0.068034 0.731740 0.832155 Mg\n0.268260 0.931965 0.832155 Mg\n0.663705 0.931965 0.832155 Mg\n0.267244 0.534489 0.832501 Mg\n0.465511 0.732755 0.832501 Mg\n0.267244 0.732755 0.832501 Mg\n0.466674 0.533326 0.832768 Mg\n0.066651 0.533326 0.832768 Mg\n0.466674 0.933349 0.832768 Mg\n0.465299 0.132749 0.833545 Mg\n0.667450 0.132749 0.833545 Mg\n0.867251 0.332550 0.833545 Mg\n0.465299 0.332550 0.833545 Mg\n0.667450 0.534701 0.833545 Mg\n0.867251 0.534701 0.833545 Mg\n0.666666 0.333333 0.833652 Mg\n0.868802 0.131197 0.836042 Mg\n0.262395 0.131197 0.836042 Mg\n0.868802 0.737605 0.836042 Mg\n0.000000 0.000000 0.000000 Th\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Th"
],
"chemical_system": "Mg-Th",
"density": 1.8555199376612532,
"density_atomic": 0.04349650203773333,
"volume": 3448.553170318721,
"volume_molar": 13.845115073335728,
"formula_full": "Th1 Mg149",
"formula_reduced": "ThMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0049962298277745,
"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",
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