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{
"id": "oqmd-321985",
"created_at": "2022-09-04T14:50:54.867997Z",
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{
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{
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"created_at": "2022-09-04T15:32:00.515097Z",
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{
"id": "oqmd-38015",
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{
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"created_at": "2022-09-04T15:32:00.676600Z",
"updated_at": "2022-09-04T15:32:00.676627Z",
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"elements": [
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{
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"updated_at": "2022-09-04T14:49:00.268350Z",
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"elements": [
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{
"id": "oqmd-31769",
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"updated_at": "2022-09-04T14:49:00.955902Z",
"structure_string": "Rb1 Mg149\n1.0\n13.836445 -7.988479 0.000000\n0.000000 15.976958 0.000000\n0.000000 0.000000 15.675066\nMg Rb\n149 1\ndirect\n0.600407 0.200815 0.000000 Mg\n0.798960 0.201039 0.000000 Mg\n0.402079 0.201040 0.000000 Mg\n0.002318 0.212249 0.000000 Mg\n0.209932 0.212249 0.000000 Mg\n0.600407 0.399592 0.000000 Mg\n0.799185 0.399593 0.000000 Mg\n0.000533 0.403012 0.000000 Mg\n0.402479 0.403013 0.000000 Mg\n0.201954 0.403909 0.000000 Mg\n0.596987 0.597521 0.000000 Mg\n0.000533 0.597521 0.000000 Mg\n0.798960 0.597921 0.000000 Mg\n0.399429 0.600571 0.000000 Mg\n0.201141 0.600571 0.000000 Mg\n0.002318 0.790068 0.000000 Mg\n0.787751 0.790068 0.000000 Mg\n0.201954 0.798045 0.000000 Mg\n0.596091 0.798046 0.000000 Mg\n0.399429 0.798859 0.000000 Mg\n0.787751 0.997682 0.000000 Mg\n0.209932 0.997683 0.000000 Mg\n0.596987 0.999466 0.000000 Mg\n0.402479 0.999467 0.000000 Mg\n0.263208 0.131604 0.165188 Mg\n0.868396 0.131604 0.165188 Mg\n0.868396 0.736792 0.165188 Mg\n0.666667 0.333333 0.166326 Mg\n0.465805 0.132941 0.166473 Mg\n0.667137 0.132942 0.166473 Mg\n0.867058 0.332863 0.166473 Mg\n0.465805 0.332863 0.166473 Mg\n0.867058 0.534195 0.166473 Mg\n0.667137 0.534196 0.166473 Mg\n0.267168 0.534336 0.167358 Mg\n0.465664 0.732832 0.167358 Mg\n0.267168 0.732832 0.167358 Mg\n0.466569 0.533431 0.167773 Mg\n0.066863 0.533431 0.167773 Mg\n0.466569 0.933137 0.167773 Mg\n0.268719 0.336363 0.168012 Mg\n0.067645 0.336364 0.168012 Mg\n0.663637 0.731281 0.168012 Mg\n0.067645 0.731281 0.168012 Mg\n0.268719 0.932355 0.168012 Mg\n0.663637 0.932355 0.168012 Mg\n0.070470 0.140940 0.175644 Mg\n0.070470 0.929530 0.175644 Mg\n0.859060 0.929530 0.175644 Mg\n0.400066 0.200033 0.332697 Mg\n0.799967 0.200033 0.332697 Mg\n0.799967 0.599934 0.332697 Mg\n0.600086 0.200173 0.333012 Mg\n0.600086 0.399913 0.333012 Mg\n0.799827 0.399913 0.333012 Mg\n0.399996 0.600004 0.333764 Mg\n0.200008 0.600004 0.333764 Mg\n0.399996 0.799992 0.333764 Mg\n0.200084 0.400167 0.333870 Mg\n0.200084 0.799916 0.333870 Mg\n0.599833 0.799916 0.333870 Mg\n0.599517 0.000255 0.333905 Mg\n0.400738 0.000255 0.333905 Mg\n0.999745 0.400483 0.333905 Mg\n0.400738 0.400483 0.333905 Mg\n0.999745 0.599262 0.333905 Mg\n0.599517 0.599262 0.333905 Mg\n0.000000 0.000000 0.333988 Mg\n0.201718 0.000578 0.335528 Mg\n0.798860 0.000578 0.335528 Mg\n0.201718 0.201140 0.335528 Mg\n0.999422 0.201140 0.335528 Mg\n0.999422 0.798282 0.335528 Mg\n0.798860 0.798282 0.335528 Mg\n0.066721 0.133441 0.500000 Mg\n0.866294 0.133706 0.500000 Mg\n0.267412 0.133706 0.500000 Mg\n0.666918 0.133932 0.500000 Mg\n0.467014 0.133932 0.500000 Mg\n0.467014 0.333082 0.500000 Mg\n0.866069 0.333082 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.267017 0.334103 0.500000 Mg\n0.067086 0.334103 0.500000 Mg\n0.666918 0.532986 0.500000 Mg\n0.866069 0.532986 0.500000 Mg\n0.066661 0.533331 0.500000 Mg\n0.466670 0.533331 0.500000 Mg\n0.266857 0.533713 0.500000 Mg\n0.866294 0.732588 0.500000 Mg\n0.665897 0.732983 0.500000 Mg\n0.067086 0.732983 0.500000 Mg\n0.466287 0.733143 0.500000 Mg\n0.266857 0.733144 0.500000 Mg\n0.267017 0.932914 0.500000 Mg\n0.665897 0.932915 0.500000 Mg\n0.066721 0.933279 0.500000 Mg\n0.866559 0.933279 0.500000 Mg\n0.466670 0.933339 0.500000 Mg\n0.201718 0.000578 0.664472 Mg\n0.798860 0.000578 0.664472 Mg\n0.201718 0.201140 0.664472 Mg\n0.999422 0.201140 0.664472 Mg\n0.999422 0.798282 0.664472 Mg\n0.798860 0.798282 0.664472 Mg\n0.000000 0.000000 0.666013 Mg\n0.599517 0.000255 0.666095 Mg\n0.400738 0.000255 0.666095 Mg\n0.999745 0.400483 0.666095 Mg\n0.400738 0.400483 0.666095 Mg\n0.999745 0.599262 0.666095 Mg\n0.599517 0.599262 0.666095 Mg\n0.200084 0.400167 0.666130 Mg\n0.200084 0.799916 0.666130 Mg\n0.599833 0.799916 0.666130 Mg\n0.399996 0.600004 0.666235 Mg\n0.200008 0.600004 0.666235 Mg\n0.399996 0.799992 0.666235 Mg\n0.600086 0.200173 0.666988 Mg\n0.600086 0.399913 0.666988 Mg\n0.799827 0.399913 0.666988 Mg\n0.400066 0.200033 0.667304 Mg\n0.799967 0.200033 0.667304 Mg\n0.799967 0.599934 0.667304 Mg\n0.070470 0.140940 0.824356 Mg\n0.070470 0.929530 0.824356 Mg\n0.859060 0.929530 0.824356 Mg\n0.268719 0.336363 0.831988 Mg\n0.067645 0.336364 0.831988 Mg\n0.663637 0.731281 0.831988 Mg\n0.067645 0.731281 0.831988 Mg\n0.268719 0.932355 0.831988 Mg\n0.663637 0.932355 0.831988 Mg\n0.466569 0.533431 0.832227 Mg\n0.066863 0.533431 0.832227 Mg\n0.466569 0.933137 0.832227 Mg\n0.267168 0.534336 0.832643 Mg\n0.465664 0.732832 0.832643 Mg\n0.267168 0.732832 0.832643 Mg\n0.465805 0.132941 0.833528 Mg\n0.667137 0.132942 0.833528 Mg\n0.867058 0.332863 0.833528 Mg\n0.465805 0.332863 0.833528 Mg\n0.867058 0.534195 0.833528 Mg\n0.667137 0.534196 0.833528 Mg\n0.666667 0.333333 0.833674 Mg\n0.263208 0.131604 0.834812 Mg\n0.868396 0.131604 0.834812 Mg\n0.868396 0.736792 0.834812 Mg\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Rb"
],
"chemical_system": "Mg-Rb",
"density": 1.7763701826828355,
"density_atomic": 0.04328757592711567,
"volume": 3465.1975026866508,
"volume_molar": 13.911938081586326,
"formula_full": "Rb1 Mg149",
"formula_reduced": "RbMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.013680288694441,
"spacegroup": 187
},
{
"id": "oqmd-31712",
"created_at": "2022-09-04T14:49:02.371730Z",
"updated_at": "2022-09-04T14:49:02.371755Z",
"structure_string": "Ac1 Mg149\n1.0\n13.842444 -7.991942 0.000000\n0.000000 15.983885 0.000000\n0.000000 0.000000 15.653632\nAc Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ac\n0.600150 0.200300 0.000000 Mg\n0.402081 0.201041 0.000000 Mg\n0.798959 0.201041 0.000000 Mg\n0.207112 0.211255 0.000000 Mg\n0.004144 0.211256 0.000000 Mg\n0.600150 0.399850 0.000000 Mg\n0.799700 0.399850 0.000000 Mg\n0.401527 0.401939 0.000000 Mg\n0.000411 0.401939 0.000000 Mg\n0.202370 0.404739 0.000000 Mg\n0.798959 0.597918 0.000000 Mg\n0.598061 0.598472 0.000000 Mg\n0.000411 0.598472 0.000000 Mg\n0.399517 0.600483 0.000000 Mg\n0.200966 0.600483 0.000000 Mg\n0.004144 0.792888 0.000000 Mg\n0.788744 0.792889 0.000000 Mg\n0.595261 0.797630 0.000000 Mg\n0.202370 0.797631 0.000000 Mg\n0.399517 0.799034 0.000000 Mg\n0.788744 0.995856 0.000000 Mg\n0.207112 0.995856 0.000000 Mg\n0.401527 0.999588 0.000000 Mg\n0.598061 0.999589 0.000000 Mg\n0.869106 0.130893 0.163969 Mg\n0.261788 0.130894 0.163969 Mg\n0.869106 0.738213 0.163969 Mg\n0.666667 0.333333 0.166198 Mg\n0.667483 0.132707 0.166414 Mg\n0.465223 0.132707 0.166414 Mg\n0.867293 0.332517 0.166414 Mg\n0.465223 0.332517 0.166414 Mg\n0.667483 0.534777 0.166414 Mg\n0.867293 0.534777 0.166414 Mg\n0.267308 0.534617 0.167538 Mg\n0.465382 0.732691 0.167538 Mg\n0.267308 0.732691 0.167538 Mg\n0.066758 0.533379 0.167622 Mg\n0.466621 0.533379 0.167622 Mg\n0.466621 0.933242 0.167622 Mg\n0.268886 0.337036 0.168164 Mg\n0.068151 0.337037 0.168164 Mg\n0.662963 0.731114 0.168164 Mg\n0.068151 0.731114 0.168164 Mg\n0.268886 0.931849 0.168164 Mg\n0.662963 0.931849 0.168164 Mg\n0.070013 0.140026 0.174404 Mg\n0.859974 0.929987 0.174404 Mg\n0.070013 0.929987 0.174404 Mg\n0.399830 0.199915 0.332595 Mg\n0.800085 0.199915 0.332595 Mg\n0.800085 0.600170 0.332595 Mg\n0.600087 0.200173 0.332845 Mg\n0.799826 0.399913 0.332845 Mg\n0.600087 0.399913 0.332845 Mg\n0.200063 0.600031 0.333839 Mg\n0.399968 0.600031 0.333839 Mg\n0.399968 0.799937 0.333839 Mg\n0.400696 0.000248 0.333882 Mg\n0.599552 0.000248 0.333882 Mg\n0.999752 0.400448 0.333882 Mg\n0.400696 0.400448 0.333882 Mg\n0.599552 0.599304 0.333882 Mg\n0.999752 0.599304 0.333882 Mg\n0.200227 0.400453 0.334147 Mg\n0.599547 0.799773 0.334147 Mg\n0.200227 0.799773 0.334147 Mg\n0.000000 0.000000 0.334692 Mg\n0.201462 0.000460 0.334818 Mg\n0.798998 0.000460 0.334818 Mg\n0.999540 0.201002 0.334818 Mg\n0.201462 0.201003 0.334818 Mg\n0.798998 0.798538 0.334818 Mg\n0.999540 0.798538 0.334818 Mg\n0.066778 0.133555 0.500000 Mg\n0.267165 0.133582 0.500000 Mg\n0.866418 0.133583 0.500000 Mg\n0.667112 0.134221 0.500000 Mg\n0.467109 0.134221 0.500000 Mg\n0.467109 0.332888 0.500000 Mg\n0.865778 0.332888 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066896 0.333910 0.500000 Mg\n0.267015 0.333911 0.500000 Mg\n0.865778 0.532891 0.500000 Mg\n0.667112 0.532891 0.500000 Mg\n0.466824 0.533175 0.500000 Mg\n0.066351 0.533175 0.500000 Mg\n0.266788 0.533576 0.500000 Mg\n0.866418 0.732835 0.500000 Mg\n0.066896 0.732985 0.500000 Mg\n0.666090 0.732985 0.500000 Mg\n0.466424 0.733212 0.500000 Mg\n0.266788 0.733212 0.500000 Mg\n0.267015 0.933104 0.500000 Mg\n0.666090 0.933104 0.500000 Mg\n0.866445 0.933222 0.500000 Mg\n0.066778 0.933222 0.500000 Mg\n0.466824 0.933649 0.500000 Mg\n0.201462 0.000460 0.665182 Mg\n0.798998 0.000460 0.665182 Mg\n0.999540 0.201002 0.665182 Mg\n0.201462 0.201003 0.665182 Mg\n0.798998 0.798538 0.665182 Mg\n0.999540 0.798538 0.665182 Mg\n0.000000 0.000000 0.665308 Mg\n0.200227 0.400453 0.665853 Mg\n0.599547 0.799773 0.665853 Mg\n0.200227 0.799773 0.665853 Mg\n0.400696 0.000248 0.666118 Mg\n0.599552 0.000248 0.666118 Mg\n0.999752 0.400448 0.666118 Mg\n0.400696 0.400448 0.666118 Mg\n0.599552 0.599304 0.666118 Mg\n0.999752 0.599304 0.666118 Mg\n0.200063 0.600031 0.666161 Mg\n0.399968 0.600031 0.666161 Mg\n0.399968 0.799937 0.666161 Mg\n0.600087 0.200173 0.667154 Mg\n0.799826 0.399913 0.667154 Mg\n0.600087 0.399913 0.667154 Mg\n0.399830 0.199915 0.667405 Mg\n0.800085 0.199915 0.667405 Mg\n0.800085 0.600170 0.667405 Mg\n0.070013 0.140026 0.825596 Mg\n0.859974 0.929987 0.825596 Mg\n0.070013 0.929987 0.825596 Mg\n0.268886 0.337036 0.831836 Mg\n0.068151 0.337037 0.831836 Mg\n0.662963 0.731114 0.831836 Mg\n0.068151 0.731114 0.831836 Mg\n0.268886 0.931849 0.831836 Mg\n0.662963 0.931849 0.831836 Mg\n0.066758 0.533379 0.832378 Mg\n0.466621 0.533379 0.832378 Mg\n0.466621 0.933242 0.832378 Mg\n0.267308 0.534617 0.832462 Mg\n0.465382 0.732691 0.832462 Mg\n0.267308 0.732691 0.832462 Mg\n0.667483 0.132707 0.833585 Mg\n0.465223 0.132707 0.833585 Mg\n0.867293 0.332517 0.833585 Mg\n0.465223 0.332517 0.833585 Mg\n0.667483 0.534777 0.833585 Mg\n0.867293 0.534777 0.833585 Mg\n0.666667 0.333333 0.833802 Mg\n0.869106 0.130893 0.836032 Mg\n0.261788 0.130894 0.836032 Mg\n0.869106 0.738213 0.836032 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ac",
"Mg"
],
"chemical_system": "Ac-Mg",
"density": 1.8451179777711153,
"density_atomic": 0.043309285379357604,
"volume": 3463.4605185957216,
"volume_molar": 13.904964506457357,
"formula_full": "Ac1 Mg149",
"formula_reduced": "AcMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0045959014444412,
"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",
"formula_anonymous": "AB149",
"formation_energy": 0.0038008336277744,
"spacegroup": 187
}
]
}