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{
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{
"id": "oqmd-31765",
"created_at": "2022-09-04T14:49:02.546509Z",
"updated_at": "2022-09-04T14:49:02.546537Z",
"structure_string": "Pm1 Mg149\n1.0\n13.824813 -7.981764 0.000000\n0.000000 15.963527 0.000000\n0.000000 0.000000 15.625452\nMg Pm\n149 1\ndirect\n0.599968 0.199935 0.000000 Mg\n0.401252 0.200626 0.000000 Mg\n0.799374 0.200626 0.000000 Mg\n0.003330 0.205607 0.000000 Mg\n0.202277 0.205607 0.000000 Mg\n0.599968 0.400033 0.000000 Mg\n0.800065 0.400033 0.000000 Mg\n0.000171 0.400219 0.000000 Mg\n0.400048 0.400220 0.000000 Mg\n0.201697 0.403395 0.000000 Mg\n0.799374 0.598748 0.000000 Mg\n0.000171 0.599952 0.000000 Mg\n0.599781 0.599953 0.000000 Mg\n0.200537 0.600268 0.000000 Mg\n0.399732 0.600268 0.000000 Mg\n0.794393 0.797723 0.000000 Mg\n0.003330 0.797723 0.000000 Mg\n0.596606 0.798303 0.000000 Mg\n0.201697 0.798303 0.000000 Mg\n0.399732 0.799464 0.000000 Mg\n0.794393 0.996670 0.000000 Mg\n0.202277 0.996670 0.000000 Mg\n0.400048 0.999829 0.000000 Mg\n0.599781 0.999829 0.000000 Mg\n0.262999 0.131499 0.164418 Mg\n0.868501 0.131500 0.164418 Mg\n0.868501 0.737001 0.164418 Mg\n0.666667 0.333333 0.166303 Mg\n0.465360 0.132758 0.166491 Mg\n0.667398 0.132758 0.166491 Mg\n0.465360 0.332602 0.166491 Mg\n0.867242 0.332602 0.166491 Mg\n0.867242 0.534640 0.166491 Mg\n0.667398 0.534640 0.166491 Mg\n0.066608 0.533304 0.167318 Mg\n0.466696 0.533304 0.167318 Mg\n0.466696 0.933393 0.167318 Mg\n0.267191 0.534382 0.167479 Mg\n0.465617 0.732808 0.167479 Mg\n0.267191 0.732808 0.167479 Mg\n0.067983 0.336023 0.167768 Mg\n0.268041 0.336023 0.167768 Mg\n0.663977 0.731960 0.167768 Mg\n0.067983 0.731960 0.167768 Mg\n0.268041 0.932017 0.167768 Mg\n0.663977 0.932018 0.167768 Mg\n0.068042 0.136085 0.170035 Mg\n0.068042 0.931957 0.170035 Mg\n0.863915 0.931958 0.170035 Mg\n0.399862 0.199931 0.332844 Mg\n0.800069 0.199931 0.332844 Mg\n0.800069 0.600137 0.332844 Mg\n0.600084 0.200168 0.332927 Mg\n0.799833 0.399916 0.332927 Mg\n0.600084 0.399917 0.332927 Mg\n0.799449 0.000000 0.333601 Mg\n0.200609 0.000000 0.333601 Mg\n0.200609 0.200551 0.333601 Mg\n0.000000 0.200551 0.333601 Mg\n0.799449 0.799391 0.333601 Mg\n0.000000 0.799391 0.333601 Mg\n0.400478 0.000214 0.333754 Mg\n0.599737 0.000215 0.333754 Mg\n0.999786 0.400263 0.333754 Mg\n0.400478 0.400264 0.333754 Mg\n0.599737 0.599522 0.333754 Mg\n0.999786 0.599522 0.333754 Mg\n0.399962 0.600038 0.333899 Mg\n0.200076 0.600038 0.333899 Mg\n0.399962 0.799924 0.333899 Mg\n0.200320 0.400641 0.334164 Mg\n0.599359 0.799679 0.334164 Mg\n0.200320 0.799680 0.334164 Mg\n0.000000 0.000000 0.334459 Mg\n0.266990 0.133495 0.500000 Mg\n0.866505 0.133495 0.500000 Mg\n0.066792 0.133583 0.500000 Mg\n0.467159 0.134265 0.500000 Mg\n0.667107 0.134265 0.500000 Mg\n0.467159 0.332893 0.500000 Mg\n0.865735 0.332893 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266911 0.333680 0.500000 Mg\n0.066769 0.333680 0.500000 Mg\n0.865735 0.532842 0.500000 Mg\n0.667107 0.532842 0.500000 Mg\n0.066284 0.533142 0.500000 Mg\n0.466858 0.533142 0.500000 Mg\n0.266760 0.533520 0.500000 Mg\n0.866505 0.733010 0.500000 Mg\n0.066769 0.733089 0.500000 Mg\n0.666320 0.733089 0.500000 Mg\n0.466479 0.733239 0.500000 Mg\n0.266760 0.733240 0.500000 Mg\n0.866418 0.933209 0.500000 Mg\n0.066792 0.933209 0.500000 Mg\n0.266911 0.933231 0.500000 Mg\n0.666320 0.933231 0.500000 Mg\n0.466858 0.933716 0.500000 Mg\n0.000000 0.000000 0.665542 Mg\n0.200320 0.400641 0.665836 Mg\n0.599359 0.799679 0.665836 Mg\n0.200320 0.799680 0.665836 Mg\n0.399962 0.600038 0.666101 Mg\n0.200076 0.600038 0.666101 Mg\n0.399962 0.799924 0.666101 Mg\n0.400478 0.000214 0.666246 Mg\n0.599737 0.000215 0.666246 Mg\n0.999786 0.400263 0.666246 Mg\n0.400478 0.400264 0.666246 Mg\n0.599737 0.599522 0.666246 Mg\n0.999786 0.599522 0.666246 Mg\n0.799449 0.000000 0.666399 Mg\n0.200609 0.000000 0.666399 Mg\n0.200609 0.200551 0.666399 Mg\n0.000000 0.200551 0.666399 Mg\n0.799449 0.799391 0.666399 Mg\n0.000000 0.799391 0.666399 Mg\n0.600084 0.200168 0.667073 Mg\n0.799833 0.399916 0.667073 Mg\n0.600084 0.399917 0.667073 Mg\n0.399862 0.199931 0.667156 Mg\n0.800069 0.199931 0.667156 Mg\n0.800069 0.600137 0.667156 Mg\n0.068042 0.136085 0.829964 Mg\n0.068042 0.931957 0.829964 Mg\n0.863915 0.931958 0.829964 Mg\n0.067983 0.336023 0.832233 Mg\n0.268041 0.336023 0.832233 Mg\n0.663977 0.731960 0.832233 Mg\n0.067983 0.731960 0.832233 Mg\n0.268041 0.932017 0.832233 Mg\n0.663977 0.932018 0.832233 Mg\n0.267191 0.534382 0.832522 Mg\n0.465617 0.732808 0.832522 Mg\n0.267191 0.732808 0.832522 Mg\n0.066608 0.533304 0.832682 Mg\n0.466696 0.533304 0.832682 Mg\n0.466696 0.933393 0.832682 Mg\n0.465360 0.132758 0.833509 Mg\n0.667398 0.132758 0.833509 Mg\n0.465360 0.332602 0.833509 Mg\n0.867242 0.332602 0.833509 Mg\n0.867242 0.534640 0.833509 Mg\n0.667398 0.534640 0.833509 Mg\n0.666667 0.333333 0.833697 Mg\n0.262999 0.131499 0.835582 Mg\n0.868501 0.131500 0.835582 Mg\n0.868501 0.737001 0.835582 Mg\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Pm"
],
"chemical_system": "Mg-Pm",
"density": 1.8136773176240923,
"density_atomic": 0.04349812663025478,
"volume": 3448.424371813491,
"volume_molar": 13.844597978183613,
"formula_full": "Pm1 Mg149",
"formula_reduced": "PmMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0001763947444411,
"spacegroup": 187
},
{
"id": "oqmd-31788",
"created_at": "2022-09-04T14:49:03.083751Z",
"updated_at": "2022-09-04T14:49:03.083772Z",
"structure_string": "Tm1 Mg149\n1.0\n13.812457 -7.974630 0.000000\n0.000000 15.949258 0.000000\n0.000000 0.000000 15.628683\nMg Tm\n149 1\ndirect\n0.599857 0.199715 0.000000 Mg\n0.799527 0.200473 0.000000 Mg\n0.400947 0.200473 0.000000 Mg\n0.002558 0.203312 0.000000 Mg\n0.200754 0.203312 0.000000 Mg\n0.000134 0.399879 0.000000 Mg\n0.399745 0.399879 0.000000 Mg\n0.599857 0.400143 0.000000 Mg\n0.800286 0.400143 0.000000 Mg\n0.201261 0.402522 0.000000 Mg\n0.799527 0.599054 0.000000 Mg\n0.399851 0.600149 0.000000 Mg\n0.200298 0.600149 0.000000 Mg\n0.000134 0.600255 0.000000 Mg\n0.600121 0.600255 0.000000 Mg\n0.597478 0.798739 0.000000 Mg\n0.201261 0.798740 0.000000 Mg\n0.002558 0.799246 0.000000 Mg\n0.796688 0.799246 0.000000 Mg\n0.399851 0.799702 0.000000 Mg\n0.200754 0.997442 0.000000 Mg\n0.796688 0.997442 0.000000 Mg\n0.399745 0.999866 0.000000 Mg\n0.600121 0.999866 0.000000 Mg\n0.867998 0.132001 0.164933 Mg\n0.264003 0.132002 0.164933 Mg\n0.867998 0.735997 0.164933 Mg\n0.666666 0.333333 0.166269 Mg\n0.667236 0.132857 0.166490 Mg\n0.465621 0.132857 0.166490 Mg\n0.867143 0.332764 0.166490 Mg\n0.465621 0.332764 0.166490 Mg\n0.667236 0.534379 0.166490 Mg\n0.867143 0.534379 0.166490 Mg\n0.466711 0.533289 0.167087 Mg\n0.066578 0.533289 0.167087 Mg\n0.466711 0.933422 0.167087 Mg\n0.267039 0.534077 0.167338 Mg\n0.465923 0.732962 0.167338 Mg\n0.267039 0.732962 0.167338 Mg\n0.067724 0.335303 0.167482 Mg\n0.267579 0.335303 0.167482 Mg\n0.067724 0.732421 0.167482 Mg\n0.664696 0.732421 0.167482 Mg\n0.664696 0.932275 0.167482 Mg\n0.267579 0.932275 0.167482 Mg\n0.067320 0.134640 0.168410 Mg\n0.067320 0.932680 0.168410 Mg\n0.865360 0.932680 0.168410 Mg\n0.600046 0.200092 0.332953 Mg\n0.600046 0.399954 0.332953 Mg\n0.799908 0.399954 0.332953 Mg\n0.399793 0.199897 0.332969 Mg\n0.800103 0.199897 0.332969 Mg\n0.800103 0.600206 0.332969 Mg\n0.200292 0.000000 0.333266 Mg\n0.799715 0.000000 0.333266 Mg\n0.000000 0.200284 0.333266 Mg\n0.200292 0.200285 0.333266 Mg\n0.799715 0.799708 0.333266 Mg\n0.000000 0.799708 0.333266 Mg\n0.400277 0.000189 0.333607 Mg\n0.599913 0.000190 0.333607 Mg\n0.999811 0.400088 0.333607 Mg\n0.400277 0.400088 0.333607 Mg\n0.999811 0.599723 0.333607 Mg\n0.599913 0.599723 0.333607 Mg\n0.199986 0.599993 0.333853 Mg\n0.400007 0.599993 0.333853 Mg\n0.400007 0.800014 0.333853 Mg\n0.200260 0.400520 0.334031 Mg\n0.200260 0.799740 0.334031 Mg\n0.599480 0.799740 0.334031 Mg\n0.000000 0.000000 0.334424 Mg\n0.266801 0.133401 0.500000 Mg\n0.866600 0.133401 0.500000 Mg\n0.066767 0.133533 0.500000 Mg\n0.667023 0.134121 0.500000 Mg\n0.467099 0.134121 0.500000 Mg\n0.865879 0.332978 0.500000 Mg\n0.467099 0.332978 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066620 0.333428 0.500000 Mg\n0.266808 0.333429 0.500000 Mg\n0.667023 0.532901 0.500000 Mg\n0.865879 0.532902 0.500000 Mg\n0.066239 0.533119 0.500000 Mg\n0.466881 0.533120 0.500000 Mg\n0.266714 0.533427 0.500000 Mg\n0.066620 0.733191 0.500000 Mg\n0.666571 0.733192 0.500000 Mg\n0.866600 0.733199 0.500000 Mg\n0.466572 0.733286 0.500000 Mg\n0.266714 0.733286 0.500000 Mg\n0.066767 0.933233 0.500000 Mg\n0.866466 0.933233 0.500000 Mg\n0.266808 0.933380 0.500000 Mg\n0.666571 0.933380 0.500000 Mg\n0.466881 0.933761 0.500000 Mg\n0.000000 0.000000 0.665576 Mg\n0.200260 0.400520 0.665969 Mg\n0.200260 0.799740 0.665969 Mg\n0.599480 0.799740 0.665969 Mg\n0.199986 0.599993 0.666147 Mg\n0.400007 0.599993 0.666147 Mg\n0.400007 0.800014 0.666147 Mg\n0.400277 0.000189 0.666393 Mg\n0.599913 0.000190 0.666393 Mg\n0.999811 0.400088 0.666393 Mg\n0.400277 0.400088 0.666393 Mg\n0.999811 0.599723 0.666393 Mg\n0.599913 0.599723 0.666393 Mg\n0.200292 0.000000 0.666734 Mg\n0.799715 0.000000 0.666734 Mg\n0.000000 0.200284 0.666734 Mg\n0.200292 0.200285 0.666734 Mg\n0.799715 0.799708 0.666734 Mg\n0.000000 0.799708 0.666734 Mg\n0.399793 0.199897 0.667031 Mg\n0.800103 0.199897 0.667031 Mg\n0.800103 0.600206 0.667031 Mg\n0.600046 0.200092 0.667047 Mg\n0.600046 0.399954 0.667047 Mg\n0.799908 0.399954 0.667047 Mg\n0.067320 0.134640 0.831591 Mg\n0.067320 0.932680 0.831591 Mg\n0.865360 0.932680 0.831591 Mg\n0.067724 0.335303 0.832518 Mg\n0.267579 0.335303 0.832518 Mg\n0.067724 0.732421 0.832518 Mg\n0.664696 0.732421 0.832518 Mg\n0.664696 0.932275 0.832518 Mg\n0.267579 0.932275 0.832518 Mg\n0.267039 0.534077 0.832661 Mg\n0.465923 0.732962 0.832661 Mg\n0.267039 0.732962 0.832661 Mg\n0.466711 0.533289 0.832913 Mg\n0.066578 0.533289 0.832913 Mg\n0.466711 0.933422 0.832913 Mg\n0.667236 0.132857 0.833510 Mg\n0.465621 0.132857 0.833510 Mg\n0.867143 0.332764 0.833510 Mg\n0.465621 0.332764 0.833510 Mg\n0.667236 0.534379 0.833510 Mg\n0.867143 0.534379 0.833510 Mg\n0.666666 0.333333 0.833731 Mg\n0.867998 0.132001 0.835067 Mg\n0.264003 0.132002 0.835067 Mg\n0.867998 0.735997 0.835067 Mg\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Tm"
],
"chemical_system": "Mg-Tm",
"density": 1.8280916038245205,
"density_atomic": 0.04356697979650128,
"volume": 3442.9744889510566,
"volume_molar": 13.822718003701555,
"formula_full": "Tm1 Mg149",
"formula_reduced": "TmMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0004976780944411,
"spacegroup": 187
},
{
"id": "oqmd-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
},
{
"id": "oqmd-31727",
"created_at": "2022-09-04T15:17:19.610695Z",
"updated_at": "2022-09-04T15:17:19.610711Z",
"structure_string": "Mg149 Co1\n1.0\n13.849120 -7.995804 0.000000\n-0.000006 15.991598 0.000000\n0.000000 0.000000 15.326850\nCo Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Co\n0.398123 0.000318 0.000000 Mg\n0.602201 0.000319 0.000000 Mg\n0.810189 0.001659 0.000000 Mg\n0.191476 0.001660 0.000000 Mg\n0.998341 0.189810 0.000000 Mg\n0.191474 0.189812 0.000000 Mg\n0.398340 0.199167 0.000000 Mg\n0.800832 0.199168 0.000000 Mg\n0.599822 0.199642 0.000000 Mg\n0.198419 0.396830 0.000000 Mg\n0.999682 0.397799 0.000000 Mg\n0.398123 0.397799 0.000000 Mg\n0.599822 0.400178 0.000000 Mg\n0.800358 0.400178 0.000000 Mg\n0.199594 0.599795 0.000000 Mg\n0.400203 0.599797 0.000000 Mg\n0.800833 0.601660 0.000000 Mg\n0.999682 0.601877 0.000000 Mg\n0.602201 0.601877 0.000000 Mg\n0.400205 0.800405 0.000000 Mg\n0.603170 0.801582 0.000000 Mg\n0.198417 0.801582 0.000000 Mg\n0.998340 0.808525 0.000000 Mg\n0.810188 0.808527 0.000000 Mg\n0.063158 0.936841 0.158654 Mg\n0.063159 0.126310 0.158654 Mg\n0.873690 0.936842 0.158654 Mg\n0.065814 0.735178 0.165547 Mg\n0.264822 0.934186 0.165547 Mg\n0.264821 0.330629 0.165549 Mg\n0.065815 0.330630 0.165549 Mg\n0.669371 0.735179 0.165549 Mg\n0.669371 0.934185 0.165549 Mg\n0.466722 0.533278 0.166007 Mg\n0.066558 0.533275 0.166007 Mg\n0.466725 0.933443 0.166007 Mg\n0.266229 0.532453 0.166107 Mg\n0.467547 0.733770 0.166107 Mg\n0.266230 0.733770 0.166107 Mg\n0.467035 0.333413 0.166757 Mg\n0.666588 0.532965 0.166757 Mg\n0.467034 0.133616 0.166758 Mg\n0.666589 0.133616 0.166758 Mg\n0.866384 0.333411 0.166758 Mg\n0.866384 0.532966 0.166758 Mg\n0.666668 0.333331 0.166820 Mg\n0.865813 0.134186 0.167117 Mg\n0.268380 0.134186 0.167118 Mg\n0.865813 0.731619 0.167118 Mg\n0.000425 0.198802 0.331520 Mg\n0.000424 0.801614 0.331520 Mg\n0.801198 0.999575 0.331520 Mg\n0.198387 0.999576 0.331520 Mg\n0.198387 0.198804 0.331521 Mg\n0.801196 0.801612 0.331521 Mg\n0.000000 0.000000 0.331737 Mg\n0.399206 0.399484 0.332629 Mg\n0.600516 0.600794 0.332629 Mg\n0.000283 0.600793 0.332629 Mg\n0.399207 0.999718 0.332629 Mg\n0.000284 0.399481 0.332630 Mg\n0.600519 0.999716 0.332630 Mg\n0.199845 0.399681 0.332826 Mg\n0.600319 0.800155 0.332826 Mg\n0.199844 0.800156 0.332826 Mg\n0.200038 0.600015 0.333111 Mg\n0.399985 0.799962 0.333111 Mg\n0.399985 0.600015 0.333112 Mg\n0.599870 0.199729 0.333435 Mg\n0.800271 0.400130 0.333435 Mg\n0.599870 0.400130 0.333437 Mg\n0.800104 0.199896 0.333706 Mg\n0.399801 0.199896 0.333707 Mg\n0.800105 0.600199 0.333707 Mg\n0.066369 0.132727 0.500000 Mg\n0.265806 0.132898 0.500000 Mg\n0.867103 0.132898 0.500000 Mg\n0.666685 0.133148 0.500000 Mg\n0.466477 0.133150 0.500000 Mg\n0.066287 0.332391 0.500000 Mg\n0.266114 0.332393 0.500000 Mg\n0.866852 0.333315 0.500000 Mg\n0.466469 0.333316 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266430 0.532857 0.500000 Mg\n0.466748 0.533252 0.500000 Mg\n0.066511 0.533253 0.500000 Mg\n0.866850 0.533524 0.500000 Mg\n0.666684 0.533531 0.500000 Mg\n0.266434 0.733567 0.500000 Mg\n0.467143 0.733570 0.500000 Mg\n0.667607 0.733886 0.500000 Mg\n0.066288 0.733887 0.500000 Mg\n0.867103 0.734194 0.500000 Mg\n0.466747 0.933489 0.500000 Mg\n0.867274 0.933631 0.500000 Mg\n0.066368 0.933632 0.500000 Mg\n0.266113 0.933711 0.500000 Mg\n0.667609 0.933713 0.500000 Mg\n0.399801 0.199896 0.666293 Mg\n0.800105 0.600199 0.666293 Mg\n0.800104 0.199896 0.666294 Mg\n0.599870 0.400130 0.666563 Mg\n0.599870 0.199729 0.666565 Mg\n0.800271 0.400130 0.666565 Mg\n0.399985 0.600015 0.666888 Mg\n0.200038 0.600015 0.666889 Mg\n0.399985 0.799962 0.666889 Mg\n0.199844 0.800156 0.667174 Mg\n0.199845 0.399681 0.667174 Mg\n0.600319 0.800155 0.667174 Mg\n0.000284 0.399481 0.667370 Mg\n0.600519 0.999716 0.667370 Mg\n0.000283 0.600793 0.667371 Mg\n0.399207 0.999718 0.667371 Mg\n0.399206 0.399484 0.667371 Mg\n0.600516 0.600794 0.667371 Mg\n0.000000 0.000000 0.668263 Mg\n0.198387 0.198804 0.668479 Mg\n0.801196 0.801612 0.668479 Mg\n0.000425 0.198802 0.668480 Mg\n0.000424 0.801614 0.668480 Mg\n0.801198 0.999575 0.668480 Mg\n0.198387 0.999576 0.668480 Mg\n0.268380 0.134186 0.832882 Mg\n0.865813 0.731619 0.832882 Mg\n0.865813 0.134186 0.832883 Mg\n0.666668 0.333331 0.833180 Mg\n0.467034 0.133616 0.833242 Mg\n0.666589 0.133616 0.833242 Mg\n0.866384 0.333411 0.833242 Mg\n0.866384 0.532966 0.833242 Mg\n0.467035 0.333413 0.833243 Mg\n0.666588 0.532965 0.833243 Mg\n0.266229 0.532453 0.833893 Mg\n0.467547 0.733770 0.833893 Mg\n0.266230 0.733770 0.833893 Mg\n0.066558 0.533275 0.833993 Mg\n0.466725 0.933443 0.833993 Mg\n0.466722 0.533278 0.833993 Mg\n0.264821 0.330629 0.834451 Mg\n0.065815 0.330630 0.834451 Mg\n0.669371 0.735179 0.834451 Mg\n0.669371 0.934185 0.834451 Mg\n0.065814 0.735178 0.834453 Mg\n0.264822 0.934186 0.834453 Mg\n0.063159 0.126310 0.841346 Mg\n0.873690 0.936842 0.841346 Mg\n0.063158 0.936841 0.841346 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Co",
"Mg"
],
"chemical_system": "Co-Mg",
"density": 1.8004235758066838,
"density_atomic": 0.044190040929518996,
"volume": 3394.4299856893736,
"volume_molar": 13.627823449190796,
"formula_full": "Mg149 Co1",
"formula_reduced": "Mg149Co",
"formula_anonymous": "AB149",
"formation_energy": 0.0071997039611077,
"spacegroup": 187
},
{
"id": "oqmd-31773",
"created_at": "2022-09-04T14:49:01.820302Z",
"updated_at": "2022-09-04T14:49:01.820327Z",
"structure_string": "Mg149 S1\n1.0\n13.778419 -7.954977 0.000000\n0.000000 15.909955 0.000000\n0.000000 0.000000 15.602064\nMg S\n149 1\ndirect\n0.803255 0.001631 0.000000 Mg\n0.198376 0.001631 0.000000 Mg\n0.198376 0.196745 0.000000 Mg\n0.998369 0.196746 0.000000 Mg\n0.800428 0.199572 0.000000 Mg\n0.399144 0.199572 0.000000 Mg\n0.600148 0.200296 0.000000 Mg\n0.198803 0.397606 0.000000 Mg\n0.600148 0.399852 0.000000 Mg\n0.799705 0.399852 0.000000 Mg\n0.000355 0.400437 0.000000 Mg\n0.400082 0.400437 0.000000 Mg\n0.599563 0.599918 0.000000 Mg\n0.000355 0.599918 0.000000 Mg\n0.399878 0.600123 0.000000 Mg\n0.200246 0.600123 0.000000 Mg\n0.800428 0.600856 0.000000 Mg\n0.399878 0.799754 0.000000 Mg\n0.602394 0.801197 0.000000 Mg\n0.198803 0.801197 0.000000 Mg\n0.998369 0.801624 0.000000 Mg\n0.803255 0.801624 0.000000 Mg\n0.599563 0.999645 0.000000 Mg\n0.400082 0.999645 0.000000 Mg\n0.065655 0.131309 0.164775 Mg\n0.065655 0.934345 0.164775 Mg\n0.868691 0.934346 0.164775 Mg\n0.265688 0.331660 0.165870 Mg\n0.065972 0.331660 0.165870 Mg\n0.668340 0.734312 0.165870 Mg\n0.065972 0.734312 0.165870 Mg\n0.668340 0.934028 0.165870 Mg\n0.265688 0.934028 0.165870 Mg\n0.266294 0.532587 0.165908 Mg\n0.266294 0.733706 0.165908 Mg\n0.467412 0.733706 0.165908 Mg\n0.666666 0.333333 0.166095 Mg\n0.466430 0.133200 0.166218 Mg\n0.666770 0.133201 0.166218 Mg\n0.866799 0.333229 0.166218 Mg\n0.466430 0.333230 0.166218 Mg\n0.666770 0.533569 0.166218 Mg\n0.866799 0.533569 0.166218 Mg\n0.066636 0.533318 0.166470 Mg\n0.466682 0.533319 0.166470 Mg\n0.466682 0.933364 0.166470 Mg\n0.266365 0.133183 0.167085 Mg\n0.866817 0.133183 0.167085 Mg\n0.866817 0.733634 0.167085 Mg\n0.000000 0.000000 0.330748 Mg\n0.199768 0.399537 0.332632 Mg\n0.199768 0.800232 0.332632 Mg\n0.600464 0.800232 0.332632 Mg\n0.400012 0.599988 0.332946 Mg\n0.199976 0.599988 0.332946 Mg\n0.400012 0.800023 0.332946 Mg\n0.599964 0.199928 0.332965 Mg\n0.800071 0.400036 0.332965 Mg\n0.599964 0.400036 0.332965 Mg\n0.800195 0.199805 0.332973 Mg\n0.399610 0.199805 0.332973 Mg\n0.800195 0.600390 0.332973 Mg\n0.000128 0.399952 0.333026 Mg\n0.399823 0.399952 0.333026 Mg\n0.000128 0.600177 0.333026 Mg\n0.600049 0.600177 0.333026 Mg\n0.399823 0.999871 0.333026 Mg\n0.600049 0.999872 0.333026 Mg\n0.199625 0.199820 0.333389 Mg\n0.000195 0.199820 0.333389 Mg\n0.800180 0.800375 0.333389 Mg\n0.000195 0.800375 0.333389 Mg\n0.199625 0.999805 0.333389 Mg\n0.800180 0.999805 0.333389 Mg\n0.066456 0.132912 0.500000 Mg\n0.266620 0.133310 0.500000 Mg\n0.866690 0.133310 0.500000 Mg\n0.466657 0.133356 0.500000 Mg\n0.666698 0.133356 0.500000 Mg\n0.066655 0.333111 0.500000 Mg\n0.266456 0.333111 0.500000 Mg\n0.466657 0.333301 0.500000 Mg\n0.866644 0.333301 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266626 0.533253 0.500000 Mg\n0.666698 0.533342 0.500000 Mg\n0.866644 0.533342 0.500000 Mg\n0.466578 0.533421 0.500000 Mg\n0.066843 0.533422 0.500000 Mg\n0.466747 0.733374 0.500000 Mg\n0.266626 0.733374 0.500000 Mg\n0.866690 0.733380 0.500000 Mg\n0.066655 0.733544 0.500000 Mg\n0.666889 0.733544 0.500000 Mg\n0.466578 0.933157 0.500000 Mg\n0.666889 0.933345 0.500000 Mg\n0.266456 0.933345 0.500000 Mg\n0.066456 0.933544 0.500000 Mg\n0.867088 0.933544 0.500000 Mg\n0.199625 0.199820 0.666611 Mg\n0.000195 0.199820 0.666611 Mg\n0.800180 0.800375 0.666611 Mg\n0.000195 0.800375 0.666611 Mg\n0.199625 0.999805 0.666611 Mg\n0.800180 0.999805 0.666611 Mg\n0.000128 0.399952 0.666973 Mg\n0.399823 0.399952 0.666973 Mg\n0.000128 0.600177 0.666973 Mg\n0.600049 0.600177 0.666973 Mg\n0.399823 0.999871 0.666973 Mg\n0.600049 0.999872 0.666973 Mg\n0.800195 0.199805 0.667026 Mg\n0.399610 0.199805 0.667026 Mg\n0.800195 0.600390 0.667026 Mg\n0.599964 0.199928 0.667035 Mg\n0.800071 0.400036 0.667035 Mg\n0.599964 0.400036 0.667035 Mg\n0.400012 0.599988 0.667054 Mg\n0.199976 0.599988 0.667054 Mg\n0.400012 0.800023 0.667054 Mg\n0.199768 0.399537 0.667369 Mg\n0.199768 0.800232 0.667369 Mg\n0.600464 0.800232 0.667369 Mg\n0.000000 0.000000 0.669252 Mg\n0.266365 0.133183 0.832915 Mg\n0.866817 0.133183 0.832915 Mg\n0.866817 0.733634 0.832915 Mg\n0.066636 0.533318 0.833530 Mg\n0.466682 0.533319 0.833530 Mg\n0.466682 0.933364 0.833530 Mg\n0.466430 0.133200 0.833782 Mg\n0.666770 0.133201 0.833782 Mg\n0.866799 0.333229 0.833782 Mg\n0.466430 0.333230 0.833782 Mg\n0.666770 0.533569 0.833782 Mg\n0.866799 0.533569 0.833782 Mg\n0.666666 0.333333 0.833904 Mg\n0.266294 0.532587 0.834093 Mg\n0.266294 0.733706 0.834093 Mg\n0.467412 0.733706 0.834093 Mg\n0.265688 0.331660 0.834129 Mg\n0.065972 0.331660 0.834129 Mg\n0.668340 0.734312 0.834129 Mg\n0.065972 0.734312 0.834129 Mg\n0.668340 0.934028 0.834129 Mg\n0.265688 0.934028 0.834129 Mg\n0.065655 0.131309 0.835225 Mg\n0.065655 0.934345 0.835225 Mg\n0.868691 0.934346 0.835225 Mg\n0.000000 0.000000 0.000000 S\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"S"
],
"chemical_system": "Mg-S",
"density": 1.7738177811859643,
"density_atomic": 0.04385719635877946,
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{
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"elements": [
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{
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"density": 1.8473078677441448,
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"formula_reduced": "Mg149Ta",
"formula_anonymous": "AB149",
"formation_energy": 0.0099619425611077,
"spacegroup": 187
},
{
"id": "oqmd-31761",
"created_at": "2022-09-04T14:49:03.755911Z",
"updated_at": "2022-09-04T14:49:03.755932Z",
"structure_string": "Mg149 P1\n1.0\n13.768708 -7.949371 0.000000\n0.000000 15.898742 0.000000\n0.000000 0.000000 15.588189\nMg P\n149 1\ndirect\n0.805320 0.001652 0.000000 Mg\n0.196331 0.001652 0.000000 Mg\n0.196331 0.194680 0.000000 Mg\n0.998349 0.194680 0.000000 Mg\n0.800768 0.199232 0.000000 Mg\n0.398464 0.199232 0.000000 Mg\n0.600021 0.200043 0.000000 Mg\n0.198473 0.396945 0.000000 Mg\n0.399557 0.399818 0.000000 Mg\n0.000261 0.399818 0.000000 Mg\n0.799957 0.399978 0.000000 Mg\n0.600021 0.399978 0.000000 Mg\n0.400077 0.599923 0.000000 Mg\n0.199847 0.599924 0.000000 Mg\n0.000261 0.600443 0.000000 Mg\n0.600182 0.600444 0.000000 Mg\n0.800768 0.601536 0.000000 Mg\n0.400077 0.800153 0.000000 Mg\n0.603056 0.801528 0.000000 Mg\n0.198473 0.801528 0.000000 Mg\n0.805320 0.803669 0.000000 Mg\n0.998349 0.803669 0.000000 Mg\n0.399557 0.999739 0.000000 Mg\n0.600182 0.999739 0.000000 Mg\n0.065006 0.130013 0.162992 Mg\n0.065006 0.934993 0.162992 Mg\n0.869987 0.934994 0.162992 Mg\n0.265264 0.331080 0.165673 Mg\n0.065816 0.331080 0.165673 Mg\n0.065816 0.734736 0.165673 Mg\n0.668920 0.734736 0.165673 Mg\n0.265264 0.934184 0.165673 Mg\n0.668920 0.934184 0.165673 Mg\n0.266174 0.532348 0.166028 Mg\n0.266174 0.733826 0.166028 Mg\n0.467652 0.733826 0.166028 Mg\n0.666667 0.333333 0.166198 Mg\n0.466542 0.133247 0.166223 Mg\n0.666705 0.133247 0.166223 Mg\n0.466542 0.333295 0.166223 Mg\n0.866752 0.333295 0.166223 Mg\n0.866752 0.533458 0.166223 Mg\n0.666705 0.533458 0.166223 Mg\n0.466677 0.533323 0.166283 Mg\n0.066646 0.533323 0.166283 Mg\n0.466677 0.933354 0.166283 Mg\n0.866513 0.133487 0.167267 Mg\n0.266975 0.133487 0.167267 Mg\n0.866513 0.733025 0.167267 Mg\n0.000000 0.000000 0.330895 Mg\n0.199762 0.399524 0.332655 Mg\n0.600475 0.800238 0.332655 Mg\n0.199762 0.800238 0.332655 Mg\n0.199251 0.199517 0.332881 Mg\n0.000266 0.199517 0.332881 Mg\n0.000266 0.800749 0.332881 Mg\n0.800483 0.800749 0.332881 Mg\n0.800483 0.999734 0.332881 Mg\n0.199251 0.999734 0.332881 Mg\n0.000000 0.399710 0.332951 Mg\n0.399625 0.399710 0.332951 Mg\n0.600289 0.600375 0.332951 Mg\n0.000000 0.600375 0.332951 Mg\n0.600289 0.000000 0.332951 Mg\n0.399625 0.000000 0.332951 Mg\n0.599965 0.199929 0.333046 Mg\n0.800071 0.400035 0.333046 Mg\n0.599965 0.400036 0.333046 Mg\n0.800180 0.199820 0.333069 Mg\n0.399640 0.199820 0.333069 Mg\n0.800180 0.600360 0.333069 Mg\n0.199999 0.600000 0.333075 Mg\n0.400000 0.600000 0.333075 Mg\n0.400000 0.800001 0.333075 Mg\n0.066465 0.132931 0.500000 Mg\n0.266472 0.133236 0.500000 Mg\n0.866764 0.133236 0.500000 Mg\n0.466755 0.133312 0.500000 Mg\n0.666557 0.133312 0.500000 Mg\n0.266426 0.332930 0.500000 Mg\n0.066504 0.332931 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866688 0.333443 0.500000 Mg\n0.466755 0.333444 0.500000 Mg\n0.666557 0.533245 0.500000 Mg\n0.866688 0.533245 0.500000 Mg\n0.266658 0.533315 0.500000 Mg\n0.066809 0.533404 0.500000 Mg\n0.466596 0.533405 0.500000 Mg\n0.466686 0.733343 0.500000 Mg\n0.266658 0.733343 0.500000 Mg\n0.866764 0.733528 0.500000 Mg\n0.667070 0.733574 0.500000 Mg\n0.066504 0.733574 0.500000 Mg\n0.466596 0.933192 0.500000 Mg\n0.266426 0.933496 0.500000 Mg\n0.667070 0.933496 0.500000 Mg\n0.066465 0.933534 0.500000 Mg\n0.867069 0.933534 0.500000 Mg\n0.199999 0.600000 0.666925 Mg\n0.400000 0.600000 0.666925 Mg\n0.400000 0.800001 0.666925 Mg\n0.800180 0.199820 0.666931 Mg\n0.399640 0.199820 0.666931 Mg\n0.800180 0.600360 0.666931 Mg\n0.599965 0.199929 0.666954 Mg\n0.800071 0.400035 0.666954 Mg\n0.599965 0.400036 0.666954 Mg\n0.000000 0.399710 0.667049 Mg\n0.399625 0.399710 0.667049 Mg\n0.600289 0.600375 0.667049 Mg\n0.000000 0.600375 0.667049 Mg\n0.600289 0.000000 0.667049 Mg\n0.399625 0.000000 0.667049 Mg\n0.199251 0.199517 0.667119 Mg\n0.000266 0.199517 0.667119 Mg\n0.000266 0.800749 0.667119 Mg\n0.800483 0.800749 0.667119 Mg\n0.800483 0.999734 0.667119 Mg\n0.199251 0.999734 0.667119 Mg\n0.199762 0.399524 0.667345 Mg\n0.600475 0.800238 0.667345 Mg\n0.199762 0.800238 0.667345 Mg\n0.000000 0.000000 0.669105 Mg\n0.866513 0.133487 0.832733 Mg\n0.266975 0.133487 0.832733 Mg\n0.866513 0.733025 0.832733 Mg\n0.466677 0.533323 0.833716 Mg\n0.066646 0.533323 0.833716 Mg\n0.466677 0.933354 0.833716 Mg\n0.466542 0.133247 0.833777 Mg\n0.666705 0.133247 0.833777 Mg\n0.466542 0.333295 0.833777 Mg\n0.866752 0.333295 0.833777 Mg\n0.866752 0.533458 0.833777 Mg\n0.666705 0.533458 0.833777 Mg\n0.666667 0.333333 0.833802 Mg\n0.266174 0.532348 0.833972 Mg\n0.266174 0.733826 0.833972 Mg\n0.467652 0.733826 0.833972 Mg\n0.265264 0.331080 0.834327 Mg\n0.065816 0.331080 0.834327 Mg\n0.065816 0.734736 0.834327 Mg\n0.668920 0.734736 0.834327 Mg\n0.265264 0.934184 0.834327 Mg\n0.668920 0.934184 0.834327 Mg\n0.065006 0.130013 0.837008 Mg\n0.065006 0.934993 0.837008 Mg\n0.869987 0.934994 0.837008 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"P"
],
"chemical_system": "Mg-P",
"density": 1.7773708295138995,
"density_atomic": 0.043958174100038716,
"volume": 3412.334635615993,
"volume_molar": 13.69970633060188,
"formula_full": "Mg149 P1",
"formula_reduced": "Mg149P",
"formula_anonymous": "AB149",
"formation_energy": -0.0016929853652917,
"spacegroup": 187
}
]
}