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{
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{
"id": "oqmd-31726",
"created_at": "2022-09-04T14:49:01.039022Z",
"updated_at": "2022-09-04T14:49:01.039043Z",
"structure_string": "Mg149 Cl1\n1.0\n13.792360 -7.963026 0.000000\n0.000000 15.926053 0.000000\n0.000000 0.000000 15.622175\nCl Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cl\n0.202648 0.000749 0.000000 Mg\n0.798101 0.000749 0.000000 Mg\n0.799813 0.200187 0.000000 Mg\n0.400375 0.200187 0.000000 Mg\n0.600232 0.200464 0.000000 Mg\n0.999250 0.201898 0.000000 Mg\n0.202648 0.201899 0.000000 Mg\n0.199769 0.399539 0.000000 Mg\n0.600232 0.399768 0.000000 Mg\n0.799536 0.399768 0.000000 Mg\n0.400819 0.401328 0.000000 Mg\n0.000509 0.401328 0.000000 Mg\n0.598672 0.599181 0.000000 Mg\n0.000509 0.599181 0.000000 Mg\n0.799813 0.599626 0.000000 Mg\n0.200549 0.600275 0.000000 Mg\n0.399726 0.600275 0.000000 Mg\n0.999250 0.797352 0.000000 Mg\n0.798101 0.797352 0.000000 Mg\n0.399726 0.799451 0.000000 Mg\n0.199769 0.800231 0.000000 Mg\n0.600461 0.800231 0.000000 Mg\n0.598672 0.999491 0.000000 Mg\n0.400819 0.999491 0.000000 Mg\n0.666667 0.333333 0.166162 Mg\n0.666836 0.133088 0.166273 Mg\n0.466252 0.133088 0.166273 Mg\n0.466252 0.333164 0.166273 Mg\n0.866912 0.333164 0.166273 Mg\n0.866912 0.533748 0.166273 Mg\n0.666836 0.533748 0.166273 Mg\n0.266567 0.533134 0.166472 Mg\n0.266567 0.733433 0.166472 Mg\n0.466866 0.733433 0.166472 Mg\n0.066523 0.333137 0.166569 Mg\n0.266615 0.333138 0.166569 Mg\n0.666862 0.733385 0.166569 Mg\n0.066523 0.733385 0.166569 Mg\n0.666862 0.933477 0.166569 Mg\n0.266615 0.933477 0.166569 Mg\n0.265501 0.132750 0.166742 Mg\n0.867250 0.132751 0.166742 Mg\n0.867250 0.734499 0.166742 Mg\n0.466587 0.533413 0.166988 Mg\n0.066827 0.533414 0.166988 Mg\n0.466587 0.933173 0.166988 Mg\n0.067198 0.134396 0.168487 Mg\n0.865604 0.932802 0.168487 Mg\n0.067198 0.932802 0.168487 Mg\n0.000000 0.000000 0.331605 Mg\n0.399802 0.199901 0.332863 Mg\n0.800099 0.199901 0.332863 Mg\n0.800099 0.600198 0.332863 Mg\n0.600025 0.200050 0.332966 Mg\n0.600025 0.399974 0.332966 Mg\n0.799949 0.399975 0.332966 Mg\n0.199904 0.399808 0.333036 Mg\n0.199904 0.800096 0.333036 Mg\n0.600192 0.800096 0.333036 Mg\n0.399978 0.600022 0.333324 Mg\n0.200045 0.600023 0.333324 Mg\n0.399978 0.799956 0.333324 Mg\n0.400119 0.000000 0.333347 Mg\n0.599933 0.000000 0.333347 Mg\n0.000000 0.400067 0.333347 Mg\n0.400119 0.400067 0.333347 Mg\n0.599933 0.599881 0.333347 Mg\n0.000000 0.599882 0.333347 Mg\n0.000000 0.200349 0.334130 Mg\n0.200286 0.200349 0.334130 Mg\n0.799651 0.799714 0.334130 Mg\n0.000000 0.799715 0.334130 Mg\n0.200286 0.000000 0.334130 Mg\n0.799651 0.000000 0.334130 Mg\n0.066543 0.133085 0.500000 Mg\n0.866546 0.133453 0.500000 Mg\n0.266906 0.133453 0.500000 Mg\n0.666741 0.133627 0.500000 Mg\n0.466886 0.133627 0.500000 Mg\n0.866373 0.333259 0.500000 Mg\n0.466886 0.333259 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066785 0.333446 0.500000 Mg\n0.266661 0.333446 0.500000 Mg\n0.866373 0.533114 0.500000 Mg\n0.666741 0.533114 0.500000 Mg\n0.466620 0.533380 0.500000 Mg\n0.066760 0.533380 0.500000 Mg\n0.266767 0.533533 0.500000 Mg\n0.866546 0.733093 0.500000 Mg\n0.266767 0.733233 0.500000 Mg\n0.466466 0.733233 0.500000 Mg\n0.666554 0.733338 0.500000 Mg\n0.066785 0.733339 0.500000 Mg\n0.266661 0.933215 0.500000 Mg\n0.666554 0.933215 0.500000 Mg\n0.466620 0.933240 0.500000 Mg\n0.066543 0.933457 0.500000 Mg\n0.866915 0.933458 0.500000 Mg\n0.000000 0.200349 0.665870 Mg\n0.200286 0.200349 0.665870 Mg\n0.799651 0.799714 0.665870 Mg\n0.000000 0.799715 0.665870 Mg\n0.200286 0.000000 0.665870 Mg\n0.799651 0.000000 0.665870 Mg\n0.400119 0.000000 0.666653 Mg\n0.599933 0.000000 0.666653 Mg\n0.000000 0.400067 0.666653 Mg\n0.400119 0.400067 0.666653 Mg\n0.599933 0.599881 0.666653 Mg\n0.000000 0.599882 0.666653 Mg\n0.399978 0.600022 0.666676 Mg\n0.200045 0.600023 0.666676 Mg\n0.399978 0.799956 0.666676 Mg\n0.199904 0.399808 0.666963 Mg\n0.199904 0.800096 0.666963 Mg\n0.600192 0.800096 0.666963 Mg\n0.600025 0.200050 0.667035 Mg\n0.600025 0.399974 0.667035 Mg\n0.799949 0.399975 0.667035 Mg\n0.399802 0.199901 0.667137 Mg\n0.800099 0.199901 0.667137 Mg\n0.800099 0.600198 0.667137 Mg\n0.000000 0.000000 0.668395 Mg\n0.067198 0.134396 0.831513 Mg\n0.865604 0.932802 0.831513 Mg\n0.067198 0.932802 0.831513 Mg\n0.466587 0.533413 0.833012 Mg\n0.066827 0.533414 0.833012 Mg\n0.466587 0.933173 0.833012 Mg\n0.265501 0.132750 0.833257 Mg\n0.867250 0.132751 0.833257 Mg\n0.867250 0.734499 0.833257 Mg\n0.066523 0.333137 0.833431 Mg\n0.266615 0.333138 0.833431 Mg\n0.666862 0.733385 0.833431 Mg\n0.066523 0.733385 0.833431 Mg\n0.666862 0.933477 0.833431 Mg\n0.266615 0.933477 0.833431 Mg\n0.266567 0.533134 0.833528 Mg\n0.266567 0.733433 0.833528 Mg\n0.466866 0.733433 0.833528 Mg\n0.666836 0.133088 0.833727 Mg\n0.466252 0.133088 0.833727 Mg\n0.466252 0.333164 0.833727 Mg\n0.866912 0.333164 0.833727 Mg\n0.866912 0.533748 0.833727 Mg\n0.666836 0.533748 0.833727 Mg\n0.666667 0.333333 0.833838 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Cl",
"Mg"
],
"chemical_system": "Cl-Mg",
"density": 1.76959427641786,
"density_atomic": 0.04371223571601441,
"volume": 3431.533472103922,
"volume_molar": 13.776785061107569,
"formula_full": "Mg149 Cl1",
"formula_reduced": "Mg149Cl",
"formula_anonymous": "AB149",
"formation_energy": -0.0063220309430196,
"spacegroup": 187
},
{
"id": "oqmd-31777",
"created_at": "2022-09-04T14:49:02.595691Z",
"updated_at": "2022-09-04T14:49:02.595736Z",
"structure_string": "Mg149 Si1\n1.0\n13.770832 -7.950598 0.000000\n0.000000 15.901194 0.000000\n0.000000 0.000000 15.598965\nMg Si\n149 1\ndirect\n0.804910 0.001210 0.000000 Mg\n0.196300 0.001210 0.000000 Mg\n0.998789 0.195090 0.000000 Mg\n0.196300 0.195090 0.000000 Mg\n0.398740 0.199370 0.000000 Mg\n0.800630 0.199370 0.000000 Mg\n0.599983 0.199967 0.000000 Mg\n0.198745 0.397490 0.000000 Mg\n0.399380 0.399492 0.000000 Mg\n0.000113 0.399493 0.000000 Mg\n0.599983 0.400016 0.000000 Mg\n0.800033 0.400017 0.000000 Mg\n0.400131 0.599869 0.000000 Mg\n0.199738 0.599869 0.000000 Mg\n0.600507 0.600620 0.000000 Mg\n0.000113 0.600620 0.000000 Mg\n0.800630 0.601260 0.000000 Mg\n0.400131 0.800262 0.000000 Mg\n0.198745 0.801255 0.000000 Mg\n0.602510 0.801255 0.000000 Mg\n0.998789 0.803699 0.000000 Mg\n0.804910 0.803700 0.000000 Mg\n0.600507 0.999886 0.000000 Mg\n0.399380 0.999887 0.000000 Mg\n0.065165 0.130331 0.163140 Mg\n0.065165 0.934834 0.163140 Mg\n0.869669 0.934835 0.163140 Mg\n0.265442 0.331485 0.165855 Mg\n0.066042 0.331485 0.165855 Mg\n0.668515 0.734558 0.165855 Mg\n0.066042 0.734558 0.165855 Mg\n0.265442 0.933958 0.165855 Mg\n0.668515 0.933958 0.165855 Mg\n0.266294 0.532588 0.166282 Mg\n0.467412 0.733706 0.166282 Mg\n0.266294 0.733706 0.166282 Mg\n0.066632 0.533316 0.166367 Mg\n0.466684 0.533316 0.166367 Mg\n0.466684 0.933368 0.166367 Mg\n0.466631 0.133279 0.166384 Mg\n0.666648 0.133279 0.166384 Mg\n0.866720 0.333352 0.166384 Mg\n0.466631 0.333352 0.166384 Mg\n0.866720 0.533368 0.166384 Mg\n0.666648 0.533369 0.166384 Mg\n0.666666 0.333333 0.166430 Mg\n0.866382 0.133618 0.167237 Mg\n0.267236 0.133618 0.167237 Mg\n0.866382 0.732764 0.167237 Mg\n0.000000 0.000000 0.331776 Mg\n0.199223 0.199477 0.332795 Mg\n0.000255 0.199478 0.332795 Mg\n0.800522 0.800777 0.332795 Mg\n0.000255 0.800777 0.332795 Mg\n0.199223 0.999745 0.332795 Mg\n0.800522 0.999745 0.332795 Mg\n0.199812 0.399624 0.332861 Mg\n0.199812 0.800187 0.332861 Mg\n0.600375 0.800188 0.332861 Mg\n0.000000 0.399683 0.333032 Mg\n0.399648 0.399683 0.333032 Mg\n0.600317 0.600353 0.333032 Mg\n0.000000 0.600353 0.333032 Mg\n0.399648 0.000000 0.333032 Mg\n0.600317 0.000000 0.333032 Mg\n0.599967 0.199935 0.333138 Mg\n0.599967 0.400033 0.333138 Mg\n0.800066 0.400033 0.333138 Mg\n0.399698 0.199849 0.333184 Mg\n0.800151 0.199849 0.333184 Mg\n0.800151 0.600302 0.333184 Mg\n0.199969 0.599985 0.333239 Mg\n0.400016 0.599985 0.333239 Mg\n0.400016 0.800031 0.333239 Mg\n0.066495 0.132990 0.500000 Mg\n0.866760 0.133239 0.500000 Mg\n0.266479 0.133240 0.500000 Mg\n0.666588 0.133388 0.500000 Mg\n0.466800 0.133388 0.500000 Mg\n0.266480 0.332938 0.500000 Mg\n0.066458 0.332938 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866612 0.333412 0.500000 Mg\n0.466800 0.333412 0.500000 Mg\n0.666588 0.533200 0.500000 Mg\n0.866612 0.533201 0.500000 Mg\n0.266653 0.533305 0.500000 Mg\n0.066650 0.533325 0.500000 Mg\n0.466675 0.533326 0.500000 Mg\n0.466695 0.733348 0.500000 Mg\n0.266653 0.733348 0.500000 Mg\n0.667062 0.733520 0.500000 Mg\n0.066458 0.733520 0.500000 Mg\n0.866760 0.733521 0.500000 Mg\n0.466675 0.933350 0.500000 Mg\n0.066495 0.933505 0.500000 Mg\n0.867010 0.933505 0.500000 Mg\n0.667062 0.933542 0.500000 Mg\n0.266480 0.933542 0.500000 Mg\n0.199969 0.599985 0.666760 Mg\n0.400016 0.599985 0.666760 Mg\n0.400016 0.800031 0.666760 Mg\n0.399698 0.199849 0.666815 Mg\n0.800151 0.199849 0.666815 Mg\n0.800151 0.600302 0.666815 Mg\n0.599967 0.199935 0.666862 Mg\n0.599967 0.400033 0.666862 Mg\n0.800066 0.400033 0.666862 Mg\n0.000000 0.399683 0.666967 Mg\n0.399648 0.399683 0.666967 Mg\n0.600317 0.600353 0.666967 Mg\n0.000000 0.600353 0.666967 Mg\n0.399648 0.000000 0.666967 Mg\n0.600317 0.000000 0.666967 Mg\n0.199812 0.399624 0.667139 Mg\n0.199812 0.800187 0.667139 Mg\n0.600375 0.800188 0.667139 Mg\n0.199223 0.199477 0.667205 Mg\n0.000255 0.199478 0.667205 Mg\n0.800522 0.800777 0.667205 Mg\n0.000255 0.800777 0.667205 Mg\n0.199223 0.999745 0.667205 Mg\n0.800522 0.999745 0.667205 Mg\n0.000000 0.000000 0.668224 Mg\n0.866382 0.133618 0.832763 Mg\n0.267236 0.133618 0.832763 Mg\n0.866382 0.732764 0.832763 Mg\n0.666666 0.333333 0.833569 Mg\n0.466631 0.133279 0.833616 Mg\n0.666648 0.133279 0.833616 Mg\n0.866720 0.333352 0.833616 Mg\n0.466631 0.333352 0.833616 Mg\n0.866720 0.533368 0.833616 Mg\n0.666648 0.533369 0.833616 Mg\n0.066632 0.533316 0.833632 Mg\n0.466684 0.533316 0.833632 Mg\n0.466684 0.933368 0.833632 Mg\n0.266294 0.532588 0.833717 Mg\n0.467412 0.733706 0.833717 Mg\n0.266294 0.733706 0.833717 Mg\n0.265442 0.331485 0.834145 Mg\n0.066042 0.331485 0.834145 Mg\n0.668515 0.734558 0.834145 Mg\n0.066042 0.734558 0.834145 Mg\n0.265442 0.933958 0.834145 Mg\n0.668515 0.933958 0.834145 Mg\n0.065165 0.130331 0.836860 Mg\n0.065165 0.934834 0.836860 Mg\n0.869669 0.934835 0.836860 Mg\n0.000000 0.000000 0.000000 Si\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 1.7741910950671302,
"density_atomic": 0.04391425902588748,
"volume": 3415.7470335905005,
"volume_molar": 13.713406291222961,
"formula_full": "Mg149 Si1",
"formula_reduced": "Mg149Si",
"formula_anonymous": "AB149",
"formation_energy": 0.0028936370611078,
"spacegroup": 187
},
{
"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-31728",
"created_at": "2022-09-04T14:49:02.217714Z",
"updated_at": "2022-09-04T14:49:02.217737Z",
"structure_string": "Mg149 Cr1\n1.0\n13.781662 -7.956850 0.000000\n0.000000 15.913699 0.000000\n0.000000 0.000000 15.600209\nCr Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cr\n0.398870 0.000000 0.000000 Mg\n0.601166 0.000000 0.000000 Mg\n0.804565 0.000320 0.000000 Mg\n0.195756 0.000320 0.000000 Mg\n0.195756 0.195435 0.000000 Mg\n0.999680 0.195436 0.000000 Mg\n0.399204 0.199602 0.000000 Mg\n0.800398 0.199603 0.000000 Mg\n0.599850 0.199700 0.000000 Mg\n0.000000 0.398834 0.000000 Mg\n0.398870 0.398834 0.000000 Mg\n0.199581 0.399162 0.000000 Mg\n0.800300 0.400150 0.000000 Mg\n0.599850 0.400150 0.000000 Mg\n0.199876 0.599938 0.000000 Mg\n0.400062 0.599939 0.000000 Mg\n0.800398 0.600795 0.000000 Mg\n0.000000 0.601130 0.000000 Mg\n0.601166 0.601130 0.000000 Mg\n0.400062 0.800123 0.000000 Mg\n0.199581 0.800419 0.000000 Mg\n0.600838 0.800419 0.000000 Mg\n0.999680 0.804244 0.000000 Mg\n0.804565 0.804245 0.000000 Mg\n0.065163 0.130327 0.162801 Mg\n0.065163 0.934836 0.162801 Mg\n0.869673 0.934837 0.162801 Mg\n0.266001 0.332637 0.166343 Mg\n0.066636 0.332638 0.166343 Mg\n0.066636 0.733999 0.166343 Mg\n0.667363 0.733999 0.166343 Mg\n0.667363 0.933364 0.166343 Mg\n0.266001 0.933364 0.166343 Mg\n0.466674 0.533325 0.166513 Mg\n0.066651 0.533325 0.166513 Mg\n0.466674 0.933349 0.166513 Mg\n0.666666 0.333333 0.166538 Mg\n0.666687 0.133313 0.166597 Mg\n0.466626 0.133313 0.166597 Mg\n0.866687 0.333313 0.166597 Mg\n0.466626 0.333313 0.166597 Mg\n0.866687 0.533374 0.166597 Mg\n0.666687 0.533375 0.166597 Mg\n0.266614 0.533229 0.166746 Mg\n0.266614 0.733385 0.166746 Mg\n0.466771 0.733386 0.166746 Mg\n0.866421 0.133579 0.166757 Mg\n0.267158 0.133579 0.166757 Mg\n0.866421 0.732842 0.166757 Mg\n0.000239 0.199652 0.332353 Mg\n0.199413 0.199652 0.332353 Mg\n0.000239 0.800587 0.332353 Mg\n0.800348 0.800588 0.332353 Mg\n0.800348 0.999761 0.332353 Mg\n0.199413 0.999761 0.332353 Mg\n0.000000 0.000000 0.332772 Mg\n0.600199 0.000000 0.333183 Mg\n0.399849 0.000000 0.333183 Mg\n0.399849 0.399800 0.333183 Mg\n0.000000 0.399801 0.333183 Mg\n0.000000 0.600150 0.333183 Mg\n0.600199 0.600150 0.333183 Mg\n0.600007 0.200014 0.333258 Mg\n0.600007 0.399993 0.333258 Mg\n0.799986 0.399993 0.333258 Mg\n0.399952 0.199976 0.333346 Mg\n0.800024 0.199976 0.333346 Mg\n0.800024 0.600048 0.333346 Mg\n0.200063 0.400126 0.333416 Mg\n0.599874 0.799937 0.333416 Mg\n0.200063 0.799937 0.333416 Mg\n0.400011 0.599988 0.333538 Mg\n0.199977 0.599988 0.333538 Mg\n0.400011 0.800023 0.333538 Mg\n0.866758 0.133242 0.500000 Mg\n0.266483 0.133242 0.500000 Mg\n0.066624 0.133249 0.500000 Mg\n0.466830 0.133542 0.500000 Mg\n0.666711 0.133542 0.500000 Mg\n0.266628 0.333118 0.500000 Mg\n0.066490 0.333119 0.500000 Mg\n0.466830 0.333288 0.500000 Mg\n0.866458 0.333289 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.666711 0.533169 0.500000 Mg\n0.866458 0.533169 0.500000 Mg\n0.466763 0.533236 0.500000 Mg\n0.066474 0.533237 0.500000 Mg\n0.266635 0.533270 0.500000 Mg\n0.266635 0.733365 0.500000 Mg\n0.466730 0.733365 0.500000 Mg\n0.066490 0.733371 0.500000 Mg\n0.666882 0.733372 0.500000 Mg\n0.866758 0.733517 0.500000 Mg\n0.066624 0.933376 0.500000 Mg\n0.866751 0.933376 0.500000 Mg\n0.666882 0.933510 0.500000 Mg\n0.266628 0.933510 0.500000 Mg\n0.466763 0.933526 0.500000 Mg\n0.400011 0.599988 0.666462 Mg\n0.199977 0.599988 0.666462 Mg\n0.400011 0.800023 0.666462 Mg\n0.200063 0.400126 0.666584 Mg\n0.599874 0.799937 0.666584 Mg\n0.200063 0.799937 0.666584 Mg\n0.399952 0.199976 0.666654 Mg\n0.800024 0.199976 0.666654 Mg\n0.800024 0.600048 0.666654 Mg\n0.600007 0.200014 0.666742 Mg\n0.600007 0.399993 0.666742 Mg\n0.799986 0.399993 0.666742 Mg\n0.600199 0.000000 0.666817 Mg\n0.399849 0.000000 0.666817 Mg\n0.399849 0.399800 0.666817 Mg\n0.000000 0.399801 0.666817 Mg\n0.000000 0.600150 0.666817 Mg\n0.600199 0.600150 0.666817 Mg\n0.000000 0.000000 0.667228 Mg\n0.000239 0.199652 0.667647 Mg\n0.199413 0.199652 0.667647 Mg\n0.000239 0.800587 0.667647 Mg\n0.800348 0.800588 0.667647 Mg\n0.800348 0.999761 0.667647 Mg\n0.199413 0.999761 0.667647 Mg\n0.866421 0.133579 0.833243 Mg\n0.267158 0.133579 0.833243 Mg\n0.866421 0.732842 0.833243 Mg\n0.266614 0.533229 0.833254 Mg\n0.266614 0.733385 0.833254 Mg\n0.466771 0.733386 0.833254 Mg\n0.666687 0.133313 0.833403 Mg\n0.466626 0.133313 0.833403 Mg\n0.866687 0.333313 0.833403 Mg\n0.466626 0.333313 0.833403 Mg\n0.866687 0.533374 0.833403 Mg\n0.666687 0.533375 0.833403 Mg\n0.666666 0.333333 0.833463 Mg\n0.466674 0.533325 0.833487 Mg\n0.066651 0.533325 0.833487 Mg\n0.466674 0.933349 0.833487 Mg\n0.266001 0.332637 0.833656 Mg\n0.066636 0.332638 0.833656 Mg\n0.066636 0.733999 0.833656 Mg\n0.667363 0.733999 0.833656 Mg\n0.667363 0.933364 0.833656 Mg\n0.266001 0.933364 0.833656 Mg\n0.065163 0.130327 0.837199 Mg\n0.065163 0.934836 0.837199 Mg\n0.869673 0.934837 0.837199 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Cr",
"Mg"
],
"chemical_system": "Cr-Mg",
"density": 1.7828673332556315,
"density_atomic": 0.04384177294001641,
"volume": 3421.394481587857,
"volume_molar": 13.736079442406202,
"formula_full": "Mg149 Cr1",
"formula_reduced": "Mg149Cr",
"formula_anonymous": "AB149",
"formation_energy": 0.0067815606277743,
"spacegroup": 187
},
{
"id": "oqmd-31780",
"created_at": "2022-09-04T14:49:02.168668Z",
"updated_at": "2022-09-04T14:49:02.168702Z",
"structure_string": "Sr1 Mg149\n1.0\n13.826096 -7.982504 0.000000\n0.000000 15.965007 0.000000\n0.000000 0.000000 15.660999\nMg Sr\n149 1\ndirect\n0.600151 0.200303 0.000000 Mg\n0.401603 0.200801 0.000000 Mg\n0.799199 0.200802 0.000000 Mg\n0.003315 0.209915 0.000000 Mg\n0.206601 0.209915 0.000000 Mg\n0.600151 0.399848 0.000000 Mg\n0.799697 0.399849 0.000000 Mg\n0.000331 0.401913 0.000000 Mg\n0.401583 0.401914 0.000000 Mg\n0.202052 0.404104 0.000000 Mg\n0.799199 0.598397 0.000000 Mg\n0.598086 0.598417 0.000000 Mg\n0.000331 0.598417 0.000000 Mg\n0.200778 0.600389 0.000000 Mg\n0.399612 0.600389 0.000000 Mg\n0.790085 0.793399 0.000000 Mg\n0.003315 0.793400 0.000000 Mg\n0.595896 0.797948 0.000000 Mg\n0.202052 0.797948 0.000000 Mg\n0.399612 0.799223 0.000000 Mg\n0.790085 0.996685 0.000000 Mg\n0.206601 0.996685 0.000000 Mg\n0.401583 0.999669 0.000000 Mg\n0.598086 0.999669 0.000000 Mg\n0.262897 0.131449 0.164573 Mg\n0.868552 0.131449 0.164573 Mg\n0.868552 0.737103 0.164573 Mg\n0.666667 0.333333 0.166313 Mg\n0.667295 0.132862 0.166569 Mg\n0.465567 0.132862 0.166569 Mg\n0.465567 0.332705 0.166569 Mg\n0.867138 0.332706 0.166569 Mg\n0.667295 0.534433 0.166569 Mg\n0.867138 0.534433 0.166569 Mg\n0.267188 0.534376 0.167427 Mg\n0.465624 0.732812 0.167427 Mg\n0.267188 0.732812 0.167427 Mg\n0.066673 0.533336 0.167475 Mg\n0.466663 0.533336 0.167475 Mg\n0.466663 0.933326 0.167475 Mg\n0.268537 0.336432 0.168059 Mg\n0.067895 0.336432 0.168059 Mg\n0.067895 0.731463 0.168059 Mg\n0.663568 0.731463 0.168059 Mg\n0.268537 0.932105 0.168059 Mg\n0.663568 0.932105 0.168059 Mg\n0.069545 0.139090 0.173460 Mg\n0.860910 0.930455 0.173460 Mg\n0.069545 0.930455 0.173460 Mg\n0.399882 0.199941 0.332794 Mg\n0.800059 0.199941 0.332794 Mg\n0.800059 0.600118 0.332794 Mg\n0.600075 0.200149 0.332997 Mg\n0.799851 0.399926 0.332997 Mg\n0.600075 0.399926 0.332997 Mg\n0.200020 0.600010 0.333794 Mg\n0.399990 0.600010 0.333794 Mg\n0.399990 0.799980 0.333794 Mg\n0.599606 0.000215 0.333866 Mg\n0.400609 0.000215 0.333866 Mg\n0.999785 0.400394 0.333866 Mg\n0.400609 0.400394 0.333866 Mg\n0.999785 0.599391 0.333866 Mg\n0.599606 0.599391 0.333866 Mg\n0.200230 0.400460 0.334085 Mg\n0.599540 0.799770 0.334085 Mg\n0.200230 0.799770 0.334085 Mg\n0.000000 0.000000 0.334486 Mg\n0.799080 0.000400 0.334721 Mg\n0.201320 0.000401 0.334721 Mg\n0.201320 0.200919 0.334721 Mg\n0.999600 0.200920 0.334721 Mg\n0.999600 0.798680 0.334721 Mg\n0.799080 0.798680 0.334721 Mg\n0.066787 0.133573 0.500000 Mg\n0.866422 0.133578 0.500000 Mg\n0.267156 0.133578 0.500000 Mg\n0.666961 0.134008 0.500000 Mg\n0.467047 0.134008 0.500000 Mg\n0.467047 0.333038 0.500000 Mg\n0.865992 0.333039 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066900 0.333872 0.500000 Mg\n0.266973 0.333872 0.500000 Mg\n0.666961 0.532953 0.500000 Mg\n0.865992 0.532953 0.500000 Mg\n0.066538 0.533269 0.500000 Mg\n0.466731 0.533269 0.500000 Mg\n0.266839 0.533678 0.500000 Mg\n0.866422 0.732844 0.500000 Mg\n0.666127 0.733027 0.500000 Mg\n0.066900 0.733027 0.500000 Mg\n0.466322 0.733161 0.500000 Mg\n0.266839 0.733161 0.500000 Mg\n0.666127 0.933100 0.500000 Mg\n0.266973 0.933101 0.500000 Mg\n0.866427 0.933213 0.500000 Mg\n0.066787 0.933213 0.500000 Mg\n0.466731 0.933462 0.500000 Mg\n0.799080 0.000400 0.665279 Mg\n0.201320 0.000401 0.665279 Mg\n0.201320 0.200919 0.665279 Mg\n0.999600 0.200920 0.665279 Mg\n0.999600 0.798680 0.665279 Mg\n0.799080 0.798680 0.665279 Mg\n0.000000 0.000000 0.665514 Mg\n0.200230 0.400460 0.665915 Mg\n0.599540 0.799770 0.665915 Mg\n0.200230 0.799770 0.665915 Mg\n0.599606 0.000215 0.666134 Mg\n0.400609 0.000215 0.666134 Mg\n0.999785 0.400394 0.666134 Mg\n0.400609 0.400394 0.666134 Mg\n0.999785 0.599391 0.666134 Mg\n0.599606 0.599391 0.666134 Mg\n0.200020 0.600010 0.666207 Mg\n0.399990 0.600010 0.666207 Mg\n0.399990 0.799980 0.666207 Mg\n0.600075 0.200149 0.667003 Mg\n0.799851 0.399926 0.667003 Mg\n0.600075 0.399926 0.667003 Mg\n0.399882 0.199941 0.667206 Mg\n0.800059 0.199941 0.667206 Mg\n0.800059 0.600118 0.667206 Mg\n0.069545 0.139090 0.826541 Mg\n0.860910 0.930455 0.826541 Mg\n0.069545 0.930455 0.826541 Mg\n0.268537 0.336432 0.831941 Mg\n0.067895 0.336432 0.831941 Mg\n0.067895 0.731463 0.831941 Mg\n0.663568 0.731463 0.831941 Mg\n0.268537 0.932105 0.831941 Mg\n0.663568 0.932105 0.831941 Mg\n0.066673 0.533336 0.832525 Mg\n0.466663 0.533336 0.832525 Mg\n0.466663 0.933326 0.832525 Mg\n0.267188 0.534376 0.832573 Mg\n0.465624 0.732812 0.832573 Mg\n0.267188 0.732812 0.832573 Mg\n0.667295 0.132862 0.833432 Mg\n0.465567 0.132862 0.833432 Mg\n0.465567 0.332705 0.833432 Mg\n0.867138 0.332706 0.833432 Mg\n0.667295 0.534433 0.833432 Mg\n0.867138 0.534433 0.833432 Mg\n0.666667 0.333333 0.833688 Mg\n0.262897 0.131449 0.835427 Mg\n0.868552 0.131449 0.835427 Mg\n0.868552 0.737103 0.835427 Mg\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Sr"
],
"chemical_system": "Mg-Sr",
"density": 1.7816623333704362,
"density_atomic": 0.04339134537432481,
"volume": 3456.9105591447465,
"volume_molar": 13.87866798793331,
"formula_full": "Sr1 Mg149",
"formula_reduced": "SrMg149",
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"spacegroup": 187
},
{
"id": "oqmd-31773",
"created_at": "2022-09-04T14:49:01.820302Z",
"updated_at": "2022-09-04T14:49:01.820327Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"S"
],
"chemical_system": "Mg-S",
"density": 1.7738177811859643,
"density_atomic": 0.04385719635877946,
"volume": 3420.191267424065,
"volume_molar": 13.731248825700348,
"formula_full": "Mg149 S1",
"formula_reduced": "Mg149S",
"formula_anonymous": "AB149",
"formation_energy": -0.0055988869989812,
"spacegroup": 187
},
{
"id": "oqmd-31731",
"created_at": "2022-09-04T14:49:01.111586Z",
"updated_at": "2022-09-04T14:49:01.111616Z",
"structure_string": "Dy1 Mg149\n1.0\n13.819234 -7.978542 0.000000\n0.000000 15.957084 0.000000\n0.000000 0.000000 15.622718\nDy Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Dy\n0.599938 0.199876 0.000000 Mg\n0.799541 0.200459 0.000000 Mg\n0.400918 0.200459 0.000000 Mg\n0.002916 0.204104 0.000000 Mg\n0.201188 0.204104 0.000000 Mg\n0.000133 0.399893 0.000000 Mg\n0.399760 0.399893 0.000000 Mg\n0.800124 0.400062 0.000000 Mg\n0.599938 0.400062 0.000000 Mg\n0.201478 0.402956 0.000000 Mg\n0.799541 0.599082 0.000000 Mg\n0.200434 0.600217 0.000000 Mg\n0.399783 0.600217 0.000000 Mg\n0.000133 0.600240 0.000000 Mg\n0.600106 0.600240 0.000000 Mg\n0.201478 0.798522 0.000000 Mg\n0.597044 0.798522 0.000000 Mg\n0.002916 0.798812 0.000000 Mg\n0.795896 0.798812 0.000000 Mg\n0.399783 0.799566 0.000000 Mg\n0.795896 0.997084 0.000000 Mg\n0.201188 0.997084 0.000000 Mg\n0.399760 0.999866 0.000000 Mg\n0.600106 0.999867 0.000000 Mg\n0.263573 0.131787 0.164718 Mg\n0.868213 0.131787 0.164718 Mg\n0.868213 0.736427 0.164718 Mg\n0.666666 0.333333 0.166326 Mg\n0.465498 0.132819 0.166518 Mg\n0.667320 0.132819 0.166518 Mg\n0.465498 0.332680 0.166518 Mg\n0.867181 0.332680 0.166518 Mg\n0.667320 0.534501 0.166518 Mg\n0.867181 0.534501 0.166518 Mg\n0.066597 0.533298 0.167262 Mg\n0.466701 0.533299 0.167262 Mg\n0.466701 0.933403 0.167262 Mg\n0.267147 0.534292 0.167459 Mg\n0.465707 0.732854 0.167459 Mg\n0.267147 0.732854 0.167459 Mg\n0.267767 0.335630 0.167633 Mg\n0.067863 0.335630 0.167633 Mg\n0.067863 0.732233 0.167633 Mg\n0.664370 0.732233 0.167633 Mg\n0.267767 0.932136 0.167633 Mg\n0.664370 0.932137 0.167633 Mg\n0.067525 0.135050 0.168884 Mg\n0.864950 0.932475 0.168884 Mg\n0.067525 0.932475 0.168884 Mg\n0.399887 0.199943 0.332902 Mg\n0.800057 0.199944 0.332902 Mg\n0.800057 0.600113 0.332902 Mg\n0.600079 0.200158 0.332948 Mg\n0.600079 0.399921 0.332948 Mg\n0.799842 0.399921 0.332948 Mg\n0.000000 0.200421 0.333389 Mg\n0.200405 0.200421 0.333389 Mg\n0.000000 0.799594 0.333389 Mg\n0.799579 0.799594 0.333389 Mg\n0.200405 0.000000 0.333389 Mg\n0.799579 0.000000 0.333389 Mg\n0.400430 0.000216 0.333743 Mg\n0.599787 0.000216 0.333743 Mg\n0.999783 0.400214 0.333743 Mg\n0.400430 0.400214 0.333743 Mg\n0.999783 0.599570 0.333743 Mg\n0.599787 0.599570 0.333743 Mg\n0.399979 0.600020 0.333879 Mg\n0.200041 0.600020 0.333879 Mg\n0.399979 0.799959 0.333879 Mg\n0.200307 0.400614 0.334140 Mg\n0.200307 0.799692 0.334140 Mg\n0.599386 0.799693 0.334140 Mg\n0.000000 0.000000 0.334444 Mg\n0.267005 0.133503 0.500000 Mg\n0.866497 0.133503 0.500000 Mg\n0.066800 0.133599 0.500000 Mg\n0.467119 0.134176 0.500000 Mg\n0.667058 0.134177 0.500000 Mg\n0.467119 0.332942 0.500000 Mg\n0.865824 0.332942 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066748 0.333661 0.500000 Mg\n0.266913 0.333661 0.500000 Mg\n0.667058 0.532881 0.500000 Mg\n0.865824 0.532881 0.500000 Mg\n0.066318 0.533159 0.500000 Mg\n0.466841 0.533159 0.500000 Mg\n0.266762 0.533523 0.500000 Mg\n0.866497 0.732995 0.500000 Mg\n0.066748 0.733087 0.500000 Mg\n0.666339 0.733087 0.500000 Mg\n0.466477 0.733238 0.500000 Mg\n0.266762 0.733238 0.500000 Mg\n0.066800 0.933200 0.500000 Mg\n0.866401 0.933200 0.500000 Mg\n0.266913 0.933252 0.500000 Mg\n0.666339 0.933252 0.500000 Mg\n0.466841 0.933683 0.500000 Mg\n0.000000 0.000000 0.665556 Mg\n0.200307 0.400614 0.665860 Mg\n0.200307 0.799692 0.665860 Mg\n0.599386 0.799693 0.665860 Mg\n0.399979 0.600020 0.666121 Mg\n0.200041 0.600020 0.666121 Mg\n0.399979 0.799959 0.666121 Mg\n0.400430 0.000216 0.666257 Mg\n0.599787 0.000216 0.666257 Mg\n0.999783 0.400214 0.666257 Mg\n0.400430 0.400214 0.666257 Mg\n0.999783 0.599570 0.666257 Mg\n0.599787 0.599570 0.666257 Mg\n0.000000 0.200421 0.666611 Mg\n0.200405 0.200421 0.666611 Mg\n0.000000 0.799594 0.666611 Mg\n0.799579 0.799594 0.666611 Mg\n0.200405 0.000000 0.666611 Mg\n0.799579 0.000000 0.666611 Mg\n0.600079 0.200158 0.667052 Mg\n0.600079 0.399921 0.667052 Mg\n0.799842 0.399921 0.667052 Mg\n0.399887 0.199943 0.667098 Mg\n0.800057 0.199944 0.667098 Mg\n0.800057 0.600113 0.667098 Mg\n0.067525 0.135050 0.831116 Mg\n0.864950 0.932475 0.831116 Mg\n0.067525 0.932475 0.831116 Mg\n0.267767 0.335630 0.832367 Mg\n0.067863 0.335630 0.832367 Mg\n0.067863 0.732233 0.832367 Mg\n0.664370 0.732233 0.832367 Mg\n0.267767 0.932136 0.832367 Mg\n0.664370 0.932137 0.832367 Mg\n0.267147 0.534292 0.832541 Mg\n0.465707 0.732854 0.832541 Mg\n0.267147 0.732854 0.832541 Mg\n0.066597 0.533298 0.832738 Mg\n0.466701 0.533299 0.832738 Mg\n0.466701 0.933403 0.832738 Mg\n0.465498 0.132819 0.833482 Mg\n0.667320 0.132819 0.833482 Mg\n0.465498 0.332680 0.833482 Mg\n0.867181 0.332680 0.833482 Mg\n0.667320 0.534501 0.833482 Mg\n0.867181 0.534501 0.833482 Mg\n0.666666 0.333333 0.833673 Mg\n0.263573 0.131787 0.835282 Mg\n0.868213 0.131787 0.835282 Mg\n0.868213 0.736427 0.835282 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Dy",
"Mg"
],
"chemical_system": "Dy-Mg",
"density": 1.8238949345959206,
"density_atomic": 0.04354087611494106,
"volume": 3445.0386254062414,
"volume_molar": 13.831005017222198,
"formula_full": "Dy1 Mg149",
"formula_reduced": "DyMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0001988421166633,
"spacegroup": 187
},
{
"id": "oqmd-31742",
"created_at": "2022-09-04T14:49:00.579922Z",
"updated_at": "2022-09-04T14:49:00.579954Z",
"structure_string": "Ho1 Mg149\n1.0\n13.812211 -7.974487 0.000000\n0.000000 15.948975 0.000000\n0.000000 0.000000 15.624575\nHo Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ho\n0.599891 0.199782 0.000000 Mg\n0.799497 0.200502 0.000000 Mg\n0.401005 0.200503 0.000000 Mg\n0.002800 0.203831 0.000000 Mg\n0.201032 0.203831 0.000000 Mg\n0.000137 0.399939 0.000000 Mg\n0.399803 0.399939 0.000000 Mg\n0.599891 0.400109 0.000000 Mg\n0.800219 0.400109 0.000000 Mg\n0.201395 0.402790 0.000000 Mg\n0.799497 0.598994 0.000000 Mg\n0.200372 0.600186 0.000000 Mg\n0.399814 0.600186 0.000000 Mg\n0.600061 0.600198 0.000000 Mg\n0.000137 0.600198 0.000000 Mg\n0.597211 0.798605 0.000000 Mg\n0.201395 0.798606 0.000000 Mg\n0.002800 0.798968 0.000000 Mg\n0.796169 0.798968 0.000000 Mg\n0.399814 0.799628 0.000000 Mg\n0.796169 0.997200 0.000000 Mg\n0.201032 0.997200 0.000000 Mg\n0.399803 0.999863 0.000000 Mg\n0.600061 0.999864 0.000000 Mg\n0.868141 0.131858 0.164778 Mg\n0.263717 0.131858 0.164778 Mg\n0.868141 0.736283 0.164778 Mg\n0.666667 0.333333 0.166289 Mg\n0.667288 0.132832 0.166500 Mg\n0.465545 0.132832 0.166500 Mg\n0.867167 0.332712 0.166500 Mg\n0.465545 0.332712 0.166500 Mg\n0.867167 0.534455 0.166500 Mg\n0.667288 0.534456 0.166500 Mg\n0.466706 0.533294 0.167162 Mg\n0.066588 0.533294 0.167162 Mg\n0.466706 0.933412 0.167162 Mg\n0.267094 0.534188 0.167393 Mg\n0.267094 0.732905 0.167393 Mg\n0.465811 0.732906 0.167393 Mg\n0.067808 0.335525 0.167572 Mg\n0.267717 0.335525 0.167572 Mg\n0.067808 0.732283 0.167572 Mg\n0.664475 0.732283 0.167572 Mg\n0.664475 0.932191 0.167572 Mg\n0.267717 0.932192 0.167572 Mg\n0.067471 0.134942 0.168737 Mg\n0.067471 0.932529 0.168737 Mg\n0.865058 0.932529 0.168737 Mg\n0.399824 0.199912 0.332930 Mg\n0.800088 0.199912 0.332930 Mg\n0.800088 0.600175 0.332930 Mg\n0.600059 0.200118 0.332948 Mg\n0.600059 0.399941 0.332948 Mg\n0.799881 0.399941 0.332948 Mg\n0.200382 0.000000 0.333354 Mg\n0.799636 0.000000 0.333354 Mg\n0.000000 0.200363 0.333354 Mg\n0.200382 0.200364 0.333354 Mg\n0.000000 0.799618 0.333354 Mg\n0.799636 0.799618 0.333354 Mg\n0.599847 0.000199 0.333665 Mg\n0.400352 0.000200 0.333665 Mg\n0.999801 0.400153 0.333665 Mg\n0.400352 0.400153 0.333665 Mg\n0.999801 0.599648 0.333665 Mg\n0.599847 0.599648 0.333665 Mg\n0.399993 0.600007 0.333869 Mg\n0.200014 0.600007 0.333869 Mg\n0.399993 0.799986 0.333869 Mg\n0.200285 0.400570 0.334088 Mg\n0.599430 0.799715 0.334088 Mg\n0.200285 0.799715 0.334088 Mg\n0.000000 0.000000 0.334449 Mg\n0.266881 0.133441 0.500000 Mg\n0.866559 0.133441 0.500000 Mg\n0.066783 0.133566 0.500000 Mg\n0.667044 0.134160 0.500000 Mg\n0.467116 0.134161 0.500000 Mg\n0.467116 0.332956 0.500000 Mg\n0.865840 0.332956 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266851 0.333529 0.500000 Mg\n0.066678 0.333529 0.500000 Mg\n0.865840 0.532884 0.500000 Mg\n0.667044 0.532884 0.500000 Mg\n0.466867 0.533133 0.500000 Mg\n0.066266 0.533133 0.500000 Mg\n0.266734 0.533468 0.500000 Mg\n0.866559 0.733118 0.500000 Mg\n0.666472 0.733149 0.500000 Mg\n0.066678 0.733149 0.500000 Mg\n0.266734 0.733266 0.500000 Mg\n0.466532 0.733266 0.500000 Mg\n0.066783 0.933217 0.500000 Mg\n0.866433 0.933217 0.500000 Mg\n0.266851 0.933323 0.500000 Mg\n0.666472 0.933323 0.500000 Mg\n0.466867 0.933733 0.500000 Mg\n0.000000 0.000000 0.665552 Mg\n0.200285 0.400570 0.665912 Mg\n0.599430 0.799715 0.665912 Mg\n0.200285 0.799715 0.665912 Mg\n0.399993 0.600007 0.666131 Mg\n0.200014 0.600007 0.666131 Mg\n0.399993 0.799986 0.666131 Mg\n0.599847 0.000199 0.666334 Mg\n0.400352 0.000200 0.666334 Mg\n0.999801 0.400153 0.666334 Mg\n0.400352 0.400153 0.666334 Mg\n0.999801 0.599648 0.666334 Mg\n0.599847 0.599648 0.666334 Mg\n0.200382 0.000000 0.666646 Mg\n0.799636 0.000000 0.666646 Mg\n0.000000 0.200363 0.666646 Mg\n0.200382 0.200364 0.666646 Mg\n0.000000 0.799618 0.666646 Mg\n0.799636 0.799618 0.666646 Mg\n0.600059 0.200118 0.667052 Mg\n0.600059 0.399941 0.667052 Mg\n0.799881 0.399941 0.667052 Mg\n0.399824 0.199912 0.667070 Mg\n0.800088 0.199912 0.667070 Mg\n0.800088 0.600175 0.667070 Mg\n0.067471 0.134942 0.831263 Mg\n0.067471 0.932529 0.831263 Mg\n0.865058 0.932529 0.831263 Mg\n0.067808 0.335525 0.832428 Mg\n0.267717 0.335525 0.832428 Mg\n0.067808 0.732283 0.832428 Mg\n0.664475 0.732283 0.832428 Mg\n0.664475 0.932191 0.832428 Mg\n0.267717 0.932192 0.832428 Mg\n0.267094 0.534188 0.832607 Mg\n0.267094 0.732905 0.832607 Mg\n0.465811 0.732906 0.832607 Mg\n0.466706 0.533294 0.832837 Mg\n0.066588 0.533294 0.832837 Mg\n0.466706 0.933412 0.832837 Mg\n0.667288 0.132832 0.833500 Mg\n0.465545 0.132832 0.833500 Mg\n0.867167 0.332712 0.833500 Mg\n0.465545 0.332712 0.833500 Mg\n0.867167 0.534455 0.833500 Mg\n0.667288 0.534456 0.833500 Mg\n0.666667 0.333333 0.833710 Mg\n0.868141 0.131858 0.835221 Mg\n0.263717 0.131858 0.835221 Mg\n0.868141 0.736283 0.835221 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ho",
"Mg"
],
"chemical_system": "Ho-Mg",
"density": 1.8267056147287415,
"density_atomic": 0.043579983809345704,
"volume": 3441.9471254560813,
"volume_molar": 13.818593385315934,
"formula_full": "Ho1 Mg149",
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{
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"elements": [
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"density": 1.7885327314857058,
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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",
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"elements": [
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"chemical_system": "Cd-Mg",
"density": 1.812079337232858,
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"volume": 3421.601708966489,
"volume_molar": 13.736911410701833,
"formula_full": "Mg149 Cd1",
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{
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"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",
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"nelements": 2,
"elements": [
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"chemical_system": "Cu-Mg",
"density": 1.7942648803031813,
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"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-31734",
"created_at": "2022-09-04T14:49:01.470734Z",
"updated_at": "2022-09-04T14:49:01.470770Z",
"structure_string": "Mg149 F1\n1.0\n13.779410 -7.955550 0.000000\n0.000000 15.911100 0.000000\n0.000000 0.000000 15.573453\nF Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 F\n0.803307 0.000822 0.000000 Mg\n0.197516 0.000823 0.000000 Mg\n0.197516 0.196694 0.000000 Mg\n0.999178 0.196694 0.000000 Mg\n0.399313 0.199657 0.000000 Mg\n0.800343 0.199657 0.000000 Mg\n0.600069 0.200138 0.000000 Mg\n0.199168 0.398336 0.000000 Mg\n0.799862 0.399931 0.000000 Mg\n0.600069 0.399931 0.000000 Mg\n0.000327 0.399979 0.000000 Mg\n0.399652 0.399979 0.000000 Mg\n0.399796 0.600204 0.000000 Mg\n0.200408 0.600204 0.000000 Mg\n0.600021 0.600348 0.000000 Mg\n0.000327 0.600348 0.000000 Mg\n0.800343 0.600686 0.000000 Mg\n0.399796 0.799592 0.000000 Mg\n0.601664 0.800832 0.000000 Mg\n0.199168 0.800832 0.000000 Mg\n0.999178 0.802484 0.000000 Mg\n0.803307 0.802484 0.000000 Mg\n0.399652 0.999673 0.000000 Mg\n0.600021 0.999673 0.000000 Mg\n0.065387 0.130774 0.163546 Mg\n0.065387 0.934613 0.163546 Mg\n0.869226 0.934613 0.163546 Mg\n0.266453 0.532905 0.166108 Mg\n0.467095 0.733547 0.166108 Mg\n0.266453 0.733547 0.166108 Mg\n0.265930 0.332231 0.166145 Mg\n0.066301 0.332231 0.166145 Mg\n0.667769 0.734070 0.166145 Mg\n0.066301 0.734070 0.166145 Mg\n0.667769 0.933699 0.166145 Mg\n0.265930 0.933699 0.166145 Mg\n0.666666 0.333333 0.166217 Mg\n0.666931 0.133142 0.166349 Mg\n0.466211 0.133142 0.166349 Mg\n0.866858 0.333068 0.166349 Mg\n0.466211 0.333068 0.166349 Mg\n0.666931 0.533789 0.166349 Mg\n0.866858 0.533790 0.166349 Mg\n0.265579 0.132789 0.166418 Mg\n0.867211 0.132790 0.166418 Mg\n0.867211 0.734421 0.166418 Mg\n0.466718 0.533282 0.166613 Mg\n0.066564 0.533282 0.166613 Mg\n0.466718 0.933436 0.166613 Mg\n0.000000 0.000000 0.330374 Mg\n0.199909 0.399818 0.332946 Mg\n0.199909 0.800090 0.332946 Mg\n0.600182 0.800091 0.332946 Mg\n0.599948 0.199897 0.332963 Mg\n0.599948 0.400051 0.332963 Mg\n0.800103 0.400052 0.332963 Mg\n0.399503 0.199752 0.333030 Mg\n0.800248 0.199752 0.333030 Mg\n0.800248 0.600496 0.333030 Mg\n0.399827 0.399951 0.333040 Mg\n0.000124 0.399951 0.333040 Mg\n0.600048 0.600172 0.333040 Mg\n0.000124 0.600173 0.333040 Mg\n0.600048 0.999876 0.333040 Mg\n0.399827 0.999876 0.333040 Mg\n0.199523 0.199821 0.333044 Mg\n0.000298 0.199821 0.333044 Mg\n0.000298 0.800477 0.333044 Mg\n0.800179 0.800477 0.333044 Mg\n0.199523 0.999702 0.333044 Mg\n0.800179 0.999703 0.333044 Mg\n0.200017 0.600009 0.333120 Mg\n0.399991 0.600009 0.333120 Mg\n0.399991 0.799982 0.333120 Mg\n0.066367 0.132735 0.500000 Mg\n0.266608 0.133304 0.500000 Mg\n0.866696 0.133304 0.500000 Mg\n0.666844 0.133606 0.500000 Mg\n0.466762 0.133606 0.500000 Mg\n0.266399 0.332961 0.500000 Mg\n0.066562 0.332961 0.500000 Mg\n0.866393 0.333156 0.500000 Mg\n0.466762 0.333156 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266617 0.533233 0.500000 Mg\n0.866393 0.533238 0.500000 Mg\n0.666844 0.533238 0.500000 Mg\n0.066583 0.533291 0.500000 Mg\n0.466709 0.533291 0.500000 Mg\n0.466767 0.733383 0.500000 Mg\n0.266617 0.733384 0.500000 Mg\n0.866696 0.733392 0.500000 Mg\n0.667039 0.733601 0.500000 Mg\n0.066562 0.733601 0.500000 Mg\n0.466709 0.933417 0.500000 Mg\n0.667039 0.933438 0.500000 Mg\n0.266399 0.933438 0.500000 Mg\n0.066367 0.933632 0.500000 Mg\n0.867265 0.933632 0.500000 Mg\n0.200017 0.600009 0.666880 Mg\n0.399991 0.600009 0.666880 Mg\n0.399991 0.799982 0.666880 Mg\n0.199523 0.199821 0.666956 Mg\n0.000298 0.199821 0.666956 Mg\n0.000298 0.800477 0.666956 Mg\n0.800179 0.800477 0.666956 Mg\n0.199523 0.999702 0.666956 Mg\n0.800179 0.999703 0.666956 Mg\n0.399827 0.399951 0.666959 Mg\n0.000124 0.399951 0.666959 Mg\n0.600048 0.600172 0.666959 Mg\n0.000124 0.600173 0.666959 Mg\n0.600048 0.999876 0.666959 Mg\n0.399827 0.999876 0.666959 Mg\n0.399503 0.199752 0.666970 Mg\n0.800248 0.199752 0.666970 Mg\n0.800248 0.600496 0.666970 Mg\n0.599948 0.199897 0.667036 Mg\n0.599948 0.400051 0.667036 Mg\n0.800103 0.400052 0.667036 Mg\n0.199909 0.399818 0.667054 Mg\n0.199909 0.800090 0.667054 Mg\n0.600182 0.800091 0.667054 Mg\n0.000000 0.000000 0.669625 Mg\n0.466718 0.533282 0.833387 Mg\n0.066564 0.533282 0.833387 Mg\n0.466718 0.933436 0.833387 Mg\n0.265579 0.132789 0.833582 Mg\n0.867211 0.132790 0.833582 Mg\n0.867211 0.734421 0.833582 Mg\n0.666931 0.133142 0.833651 Mg\n0.466211 0.133142 0.833651 Mg\n0.866858 0.333068 0.833651 Mg\n0.466211 0.333068 0.833651 Mg\n0.666931 0.533789 0.833651 Mg\n0.866858 0.533790 0.833651 Mg\n0.666666 0.333333 0.833783 Mg\n0.265930 0.332231 0.833856 Mg\n0.066301 0.332231 0.833856 Mg\n0.667769 0.734070 0.833856 Mg\n0.066301 0.734070 0.833856 Mg\n0.667769 0.933699 0.833856 Mg\n0.265930 0.933699 0.833856 Mg\n0.266453 0.532905 0.833892 Mg\n0.467095 0.733547 0.833892 Mg\n0.266453 0.733547 0.833892 Mg\n0.065387 0.130774 0.836454 Mg\n0.065387 0.934613 0.836454 Mg\n0.869226 0.934613 0.836454 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"F",
"Mg"
],
"chemical_system": "F-Mg",
"density": 1.7704661864609872,
"density_atomic": 0.04393144766376941,
"volume": 3414.4105868768374,
"volume_molar": 13.708040777737683,
"formula_full": "Mg149 F1",
"formula_reduced": "Mg149F",
"formula_anonymous": "AB149",
"formation_energy": -0.0166814289664328,
"spacegroup": 187
}
]
}