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{
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{
"id": "oqmd-31719",
"created_at": "2022-09-04T14:49:02.925860Z",
"updated_at": "2022-09-04T14:49:02.925892Z",
"structure_string": "Mg149 Be1\n1.0\n13.760664 -7.944727 0.000000\n0.000000 15.889453 0.000000\n0.000000 0.000000 15.616828\nBe Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Be\n0.194642 0.001187 0.000000 Mg\n0.806545 0.001187 0.000000 Mg\n0.998812 0.193455 0.000000 Mg\n0.194642 0.193455 0.000000 Mg\n0.800754 0.199246 0.000000 Mg\n0.398492 0.199246 0.000000 Mg\n0.599859 0.199718 0.000000 Mg\n0.198870 0.397739 0.000000 Mg\n0.398974 0.398999 0.000000 Mg\n0.000000 0.398999 0.000000 Mg\n0.800281 0.400141 0.000000 Mg\n0.599859 0.400141 0.000000 Mg\n0.400136 0.599864 0.000000 Mg\n0.199728 0.599864 0.000000 Mg\n0.000000 0.601026 0.000000 Mg\n0.601001 0.601026 0.000000 Mg\n0.800754 0.601509 0.000000 Mg\n0.400136 0.800272 0.000000 Mg\n0.198870 0.801131 0.000000 Mg\n0.602261 0.801131 0.000000 Mg\n0.998812 0.805357 0.000000 Mg\n0.806545 0.805357 0.000000 Mg\n0.601001 0.000000 0.000000 Mg\n0.398974 0.000000 0.000000 Mg\n0.064668 0.129335 0.161589 Mg\n0.064668 0.935332 0.161589 Mg\n0.870664 0.935332 0.161589 Mg\n0.265452 0.331557 0.165883 Mg\n0.066105 0.331557 0.165883 Mg\n0.066105 0.734548 0.165883 Mg\n0.668443 0.734548 0.165883 Mg\n0.265452 0.933895 0.165883 Mg\n0.668443 0.933895 0.165883 Mg\n0.266336 0.532671 0.166306 Mg\n0.266336 0.733664 0.166306 Mg\n0.467328 0.733664 0.166306 Mg\n0.466692 0.533308 0.166310 Mg\n0.066617 0.533309 0.166310 Mg\n0.466692 0.933383 0.166310 Mg\n0.466741 0.133350 0.166522 Mg\n0.666609 0.133350 0.166522 Mg\n0.466741 0.333391 0.166522 Mg\n0.866650 0.333391 0.166522 Mg\n0.666609 0.533258 0.166522 Mg\n0.866650 0.533259 0.166522 Mg\n0.666667 0.333333 0.166543 Mg\n0.267397 0.133698 0.167118 Mg\n0.866301 0.133699 0.167118 Mg\n0.866301 0.732603 0.167118 Mg\n0.000000 0.000000 0.331708 Mg\n0.000281 0.199438 0.332518 Mg\n0.199157 0.199438 0.332518 Mg\n0.800562 0.800843 0.332518 Mg\n0.000281 0.800843 0.332518 Mg\n0.199157 0.999718 0.332518 Mg\n0.800562 0.999719 0.332518 Mg\n0.399601 0.399684 0.332966 Mg\n0.000000 0.399685 0.332966 Mg\n0.600316 0.600398 0.332966 Mg\n0.000000 0.600399 0.332966 Mg\n0.600316 0.000000 0.332966 Mg\n0.399601 0.000000 0.332966 Mg\n0.199852 0.399703 0.332989 Mg\n0.199852 0.800149 0.332989 Mg\n0.600297 0.800149 0.332989 Mg\n0.400032 0.599968 0.333182 Mg\n0.199936 0.599968 0.333182 Mg\n0.400032 0.800065 0.333182 Mg\n0.599953 0.199906 0.333188 Mg\n0.800094 0.400047 0.333188 Mg\n0.599953 0.400047 0.333188 Mg\n0.800127 0.199873 0.333399 Mg\n0.399746 0.199873 0.333399 Mg\n0.800127 0.600254 0.333399 Mg\n0.066489 0.132977 0.500000 Mg\n0.866811 0.133188 0.500000 Mg\n0.266377 0.133189 0.500000 Mg\n0.466641 0.133291 0.500000 Mg\n0.666651 0.133292 0.500000 Mg\n0.266449 0.332847 0.500000 Mg\n0.066398 0.332847 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866708 0.333349 0.500000 Mg\n0.466641 0.333350 0.500000 Mg\n0.266552 0.533103 0.500000 Mg\n0.466757 0.533243 0.500000 Mg\n0.066487 0.533244 0.500000 Mg\n0.866708 0.533359 0.500000 Mg\n0.666651 0.533359 0.500000 Mg\n0.266552 0.733448 0.500000 Mg\n0.466897 0.733449 0.500000 Mg\n0.066398 0.733550 0.500000 Mg\n0.667152 0.733550 0.500000 Mg\n0.866811 0.733623 0.500000 Mg\n0.066489 0.933511 0.500000 Mg\n0.867023 0.933512 0.500000 Mg\n0.466757 0.933513 0.500000 Mg\n0.667152 0.933602 0.500000 Mg\n0.266449 0.933602 0.500000 Mg\n0.800127 0.199873 0.666601 Mg\n0.399746 0.199873 0.666601 Mg\n0.800127 0.600254 0.666601 Mg\n0.599953 0.199906 0.666812 Mg\n0.800094 0.400047 0.666812 Mg\n0.599953 0.400047 0.666812 Mg\n0.400032 0.599968 0.666819 Mg\n0.199936 0.599968 0.666819 Mg\n0.400032 0.800065 0.666819 Mg\n0.199852 0.399703 0.667011 Mg\n0.199852 0.800149 0.667011 Mg\n0.600297 0.800149 0.667011 Mg\n0.399601 0.399684 0.667033 Mg\n0.000000 0.399685 0.667033 Mg\n0.600316 0.600398 0.667033 Mg\n0.000000 0.600399 0.667033 Mg\n0.600316 0.000000 0.667033 Mg\n0.399601 0.000000 0.667033 Mg\n0.000281 0.199438 0.667482 Mg\n0.199157 0.199438 0.667482 Mg\n0.800562 0.800843 0.667482 Mg\n0.000281 0.800843 0.667482 Mg\n0.199157 0.999718 0.667482 Mg\n0.800562 0.999719 0.667482 Mg\n0.000000 0.000000 0.668292 Mg\n0.267397 0.133698 0.832882 Mg\n0.866301 0.133699 0.832882 Mg\n0.866301 0.732603 0.832882 Mg\n0.666667 0.333333 0.833457 Mg\n0.466741 0.133350 0.833478 Mg\n0.666609 0.133350 0.833478 Mg\n0.466741 0.333391 0.833478 Mg\n0.866650 0.333391 0.833478 Mg\n0.666609 0.533258 0.833478 Mg\n0.866650 0.533259 0.833478 Mg\n0.466692 0.533308 0.833689 Mg\n0.066617 0.533309 0.833689 Mg\n0.466692 0.933383 0.833689 Mg\n0.266336 0.532671 0.833694 Mg\n0.266336 0.733664 0.833694 Mg\n0.467328 0.733664 0.833694 Mg\n0.265452 0.331557 0.834118 Mg\n0.066105 0.331557 0.834118 Mg\n0.066105 0.734548 0.834118 Mg\n0.668443 0.734548 0.834118 Mg\n0.265452 0.933895 0.834118 Mg\n0.668443 0.933895 0.834118 Mg\n0.064668 0.129335 0.838411 Mg\n0.064668 0.935332 0.838411 Mg\n0.870664 0.935332 0.838411 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Be",
"Mg"
],
"chemical_system": "Be-Mg",
"density": 1.765506220244588,
"density_atomic": 0.0439288763438281,
"volume": 3414.6104449829536,
"volume_molar": 13.708843160169055,
"formula_full": "Mg149 Be1",
"formula_reduced": "Mg149Be",
"formula_anonymous": "AB149",
"formation_energy": 0.0090033091611078,
"spacegroup": 187
},
{
"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-31776",
"created_at": "2022-09-04T14:49:03.239139Z",
"updated_at": "2022-09-04T14:49:03.239162Z",
"structure_string": "Mg149 Se1\n1.0\n13.787064 -7.959968 0.000000\n0.000000 15.919937 0.000000\n0.000000 0.000000 15.617647\nMg Se\n149 1\ndirect\n0.801014 0.001493 0.000000 Mg\n0.200479 0.001494 0.000000 Mg\n0.998506 0.198986 0.000000 Mg\n0.200479 0.198986 0.000000 Mg\n0.800191 0.199808 0.000000 Mg\n0.399617 0.199809 0.000000 Mg\n0.600146 0.200291 0.000000 Mg\n0.199107 0.398214 0.000000 Mg\n0.799709 0.399855 0.000000 Mg\n0.600146 0.399855 0.000000 Mg\n0.400411 0.400812 0.000000 Mg\n0.000401 0.400812 0.000000 Mg\n0.599188 0.599589 0.000000 Mg\n0.000401 0.599589 0.000000 Mg\n0.399916 0.600083 0.000000 Mg\n0.200167 0.600084 0.000000 Mg\n0.800191 0.600383 0.000000 Mg\n0.801014 0.799520 0.000000 Mg\n0.998506 0.799521 0.000000 Mg\n0.399916 0.799833 0.000000 Mg\n0.199107 0.800893 0.000000 Mg\n0.601786 0.800893 0.000000 Mg\n0.400411 0.999599 0.000000 Mg\n0.599188 0.999599 0.000000 Mg\n0.066066 0.332126 0.166128 Mg\n0.266061 0.332127 0.166128 Mg\n0.667873 0.733939 0.166128 Mg\n0.066066 0.733939 0.166128 Mg\n0.667873 0.933934 0.166128 Mg\n0.266061 0.933934 0.166128 Mg\n0.266324 0.532649 0.166130 Mg\n0.266324 0.733675 0.166130 Mg\n0.467351 0.733676 0.166130 Mg\n0.666667 0.333333 0.166179 Mg\n0.666746 0.133195 0.166224 Mg\n0.466449 0.133195 0.166224 Mg\n0.866805 0.333254 0.166224 Mg\n0.466449 0.333254 0.166224 Mg\n0.866805 0.533551 0.166224 Mg\n0.666746 0.533551 0.166224 Mg\n0.466621 0.533379 0.166540 Mg\n0.066758 0.533379 0.166540 Mg\n0.466621 0.933242 0.166540 Mg\n0.066380 0.132761 0.166687 Mg\n0.867239 0.933620 0.166687 Mg\n0.066380 0.933620 0.166687 Mg\n0.266353 0.133177 0.167121 Mg\n0.866823 0.133177 0.167121 Mg\n0.866823 0.733647 0.167121 Mg\n0.000000 0.000000 0.331465 Mg\n0.199790 0.399581 0.332735 Mg\n0.600419 0.800209 0.332735 Mg\n0.199790 0.800209 0.332735 Mg\n0.399771 0.199886 0.332986 Mg\n0.800115 0.199886 0.332986 Mg\n0.800115 0.600229 0.332986 Mg\n0.599996 0.199993 0.333023 Mg\n0.599996 0.400003 0.333023 Mg\n0.800006 0.400003 0.333023 Mg\n0.200029 0.600014 0.333099 Mg\n0.399986 0.600015 0.333099 Mg\n0.399986 0.799971 0.333099 Mg\n0.399869 0.399901 0.333109 Mg\n0.000000 0.399902 0.333109 Mg\n0.600099 0.600131 0.333109 Mg\n0.000000 0.600131 0.333109 Mg\n0.399869 0.000000 0.333109 Mg\n0.600099 0.000000 0.333109 Mg\n0.199858 0.199953 0.333648 Mg\n0.000000 0.199953 0.333648 Mg\n0.000000 0.800142 0.333648 Mg\n0.800047 0.800142 0.333648 Mg\n0.199858 0.000000 0.333648 Mg\n0.800047 0.000000 0.333648 Mg\n0.066506 0.133011 0.500000 Mg\n0.866646 0.133353 0.500000 Mg\n0.266707 0.133354 0.500000 Mg\n0.666607 0.133380 0.500000 Mg\n0.466773 0.133380 0.500000 Mg\n0.266540 0.333219 0.500000 Mg\n0.066679 0.333220 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866620 0.333393 0.500000 Mg\n0.466773 0.333393 0.500000 Mg\n0.866620 0.533227 0.500000 Mg\n0.666607 0.533227 0.500000 Mg\n0.266705 0.533410 0.500000 Mg\n0.066855 0.533428 0.500000 Mg\n0.466572 0.533428 0.500000 Mg\n0.866646 0.733293 0.500000 Mg\n0.466590 0.733295 0.500000 Mg\n0.266705 0.733295 0.500000 Mg\n0.066679 0.733459 0.500000 Mg\n0.666780 0.733459 0.500000 Mg\n0.466572 0.933144 0.500000 Mg\n0.266540 0.933320 0.500000 Mg\n0.666780 0.933321 0.500000 Mg\n0.066506 0.933494 0.500000 Mg\n0.866988 0.933494 0.500000 Mg\n0.199858 0.199953 0.666351 Mg\n0.000000 0.199953 0.666351 Mg\n0.000000 0.800142 0.666351 Mg\n0.800047 0.800142 0.666351 Mg\n0.199858 0.000000 0.666351 Mg\n0.800047 0.000000 0.666351 Mg\n0.399869 0.399901 0.666890 Mg\n0.000000 0.399902 0.666890 Mg\n0.600099 0.600131 0.666890 Mg\n0.000000 0.600131 0.666890 Mg\n0.399869 0.000000 0.666890 Mg\n0.600099 0.000000 0.666890 Mg\n0.200029 0.600014 0.666901 Mg\n0.399986 0.600015 0.666901 Mg\n0.399986 0.799971 0.666901 Mg\n0.599996 0.199993 0.666977 Mg\n0.599996 0.400003 0.666977 Mg\n0.800006 0.400003 0.666977 Mg\n0.399771 0.199886 0.667014 Mg\n0.800115 0.199886 0.667014 Mg\n0.800115 0.600229 0.667014 Mg\n0.199790 0.399581 0.667265 Mg\n0.600419 0.800209 0.667265 Mg\n0.199790 0.800209 0.667265 Mg\n0.000000 0.000000 0.668534 Mg\n0.266353 0.133177 0.832879 Mg\n0.866823 0.133177 0.832879 Mg\n0.866823 0.733647 0.832879 Mg\n0.066380 0.132761 0.833313 Mg\n0.867239 0.933620 0.833313 Mg\n0.066380 0.933620 0.833313 Mg\n0.466621 0.533379 0.833459 Mg\n0.066758 0.533379 0.833459 Mg\n0.466621 0.933242 0.833459 Mg\n0.666746 0.133195 0.833776 Mg\n0.466449 0.133195 0.833776 Mg\n0.866805 0.333254 0.833776 Mg\n0.466449 0.333254 0.833776 Mg\n0.866805 0.533551 0.833776 Mg\n0.666746 0.533551 0.833776 Mg\n0.666667 0.333333 0.833822 Mg\n0.266324 0.532649 0.833870 Mg\n0.266324 0.733675 0.833870 Mg\n0.467351 0.733676 0.833870 Mg\n0.066066 0.332126 0.833872 Mg\n0.266061 0.332127 0.833872 Mg\n0.667873 0.733939 0.833872 Mg\n0.066066 0.733939 0.833872 Mg\n0.667873 0.933934 0.833872 Mg\n0.266061 0.933934 0.833872 Mg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 1.792543145929069,
"density_atomic": 0.043758509461350494,
"volume": 3427.904694342636,
"volume_molar": 13.762216387464086,
"formula_full": "Mg149 Se1",
"formula_reduced": "Mg149Se",
"formula_anonymous": "AB149",
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{
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"updated_at": "2022-09-04T14:49:03.184338Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Pr"
],
"chemical_system": "Mg-Pr",
"density": 1.8095454386034078,
"density_atomic": 0.043446235748202174,
"volume": 3452.543066546498,
"volume_molar": 13.861133551136705,
"formula_full": "Pr1 Mg149",
"formula_reduced": "PrMg149",
"formula_anonymous": "AB149",
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"spacegroup": 187
},
{
"id": "oqmd-31748",
"created_at": "2022-09-04T14:49:01.947210Z",
"updated_at": "2022-09-04T14:49:01.947238Z",
"structure_string": "Li1 Mg149\n1.0\n13.775711 -7.953414 0.000000\n0.000000 15.906828 0.000000\n0.000000 0.000000 15.610177\nLi Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Li\n0.198685 0.198715 0.000000 Mg\n0.000000 0.198715 0.000000 Mg\n0.800210 0.199790 0.000000 Mg\n0.399581 0.199790 0.000000 Mg\n0.599920 0.199840 0.000000 Mg\n0.399526 0.399615 0.000000 Mg\n0.000000 0.399616 0.000000 Mg\n0.199852 0.399703 0.000000 Mg\n0.800160 0.400080 0.000000 Mg\n0.599920 0.400080 0.000000 Mg\n0.200000 0.600000 0.000000 Mg\n0.400000 0.600000 0.000000 Mg\n0.800210 0.600420 0.000000 Mg\n0.600385 0.600474 0.000000 Mg\n0.000000 0.600475 0.000000 Mg\n0.400000 0.800000 0.000000 Mg\n0.600296 0.800148 0.000000 Mg\n0.199852 0.800148 0.000000 Mg\n0.801285 0.801314 0.000000 Mg\n0.000000 0.801315 0.000000 Mg\n0.600385 0.000000 0.000000 Mg\n0.399526 0.000000 0.000000 Mg\n0.801285 0.000000 0.000000 Mg\n0.198685 0.000000 0.000000 Mg\n0.066216 0.132431 0.165386 Mg\n0.867569 0.933784 0.165386 Mg\n0.066216 0.933785 0.165386 Mg\n0.666667 0.333333 0.166558 Mg\n0.466602 0.133296 0.166574 Mg\n0.666694 0.133296 0.166574 Mg\n0.466602 0.333306 0.166574 Mg\n0.866704 0.333306 0.166574 Mg\n0.666694 0.533398 0.166574 Mg\n0.866704 0.533399 0.166574 Mg\n0.866718 0.133281 0.166586 Mg\n0.266563 0.133281 0.166586 Mg\n0.866718 0.733437 0.166586 Mg\n0.266429 0.333092 0.166587 Mg\n0.066662 0.333092 0.166587 Mg\n0.066662 0.733571 0.166587 Mg\n0.666909 0.733571 0.166587 Mg\n0.666909 0.933338 0.166587 Mg\n0.266429 0.933338 0.166587 Mg\n0.066684 0.533342 0.166634 Mg\n0.466658 0.533342 0.166634 Mg\n0.466658 0.933316 0.166634 Mg\n0.266641 0.533282 0.166761 Mg\n0.266641 0.733358 0.166761 Mg\n0.466718 0.733359 0.166761 Mg\n0.000000 0.000000 0.332693 Mg\n0.199768 0.199899 0.332917 Mg\n0.000131 0.199899 0.332917 Mg\n0.800101 0.800233 0.332917 Mg\n0.000131 0.800233 0.332917 Mg\n0.800101 0.999868 0.332917 Mg\n0.199768 0.999869 0.332917 Mg\n0.399968 0.000000 0.333273 Mg\n0.600130 0.000000 0.333273 Mg\n0.399968 0.399870 0.333273 Mg\n0.000000 0.399870 0.333273 Mg\n0.000000 0.600032 0.333273 Mg\n0.600130 0.600033 0.333273 Mg\n0.600015 0.200031 0.333283 Mg\n0.600015 0.399984 0.333283 Mg\n0.799969 0.399984 0.333283 Mg\n0.399995 0.199998 0.333309 Mg\n0.800002 0.199998 0.333309 Mg\n0.800002 0.600005 0.333309 Mg\n0.200083 0.400165 0.333441 Mg\n0.200083 0.799917 0.333441 Mg\n0.599835 0.799917 0.333441 Mg\n0.199969 0.599984 0.333570 Mg\n0.400016 0.599984 0.333570 Mg\n0.400016 0.800031 0.333570 Mg\n0.066634 0.133267 0.500000 Mg\n0.266635 0.133317 0.500000 Mg\n0.866683 0.133317 0.500000 Mg\n0.666676 0.133529 0.500000 Mg\n0.466853 0.133529 0.500000 Mg\n0.066580 0.333209 0.500000 Mg\n0.266629 0.333209 0.500000 Mg\n0.866471 0.333324 0.500000 Mg\n0.466853 0.333324 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866471 0.533147 0.500000 Mg\n0.666676 0.533147 0.500000 Mg\n0.066532 0.533266 0.500000 Mg\n0.466734 0.533266 0.500000 Mg\n0.266676 0.533352 0.500000 Mg\n0.266676 0.733324 0.500000 Mg\n0.466648 0.733324 0.500000 Mg\n0.866683 0.733365 0.500000 Mg\n0.666790 0.733371 0.500000 Mg\n0.066580 0.733371 0.500000 Mg\n0.866733 0.933366 0.500000 Mg\n0.066634 0.933366 0.500000 Mg\n0.666790 0.933420 0.500000 Mg\n0.266629 0.933420 0.500000 Mg\n0.466734 0.933468 0.500000 Mg\n0.199969 0.599984 0.666430 Mg\n0.400016 0.599984 0.666430 Mg\n0.400016 0.800031 0.666430 Mg\n0.200083 0.400165 0.666559 Mg\n0.200083 0.799917 0.666559 Mg\n0.599835 0.799917 0.666559 Mg\n0.399995 0.199998 0.666691 Mg\n0.800002 0.199998 0.666691 Mg\n0.800002 0.600005 0.666691 Mg\n0.600015 0.200031 0.666718 Mg\n0.600015 0.399984 0.666718 Mg\n0.799969 0.399984 0.666718 Mg\n0.399968 0.000000 0.666727 Mg\n0.600130 0.000000 0.666727 Mg\n0.399968 0.399870 0.666727 Mg\n0.000000 0.399870 0.666727 Mg\n0.000000 0.600032 0.666727 Mg\n0.600130 0.600033 0.666727 Mg\n0.199768 0.199899 0.667083 Mg\n0.000131 0.199899 0.667083 Mg\n0.800101 0.800233 0.667083 Mg\n0.000131 0.800233 0.667083 Mg\n0.800101 0.999868 0.667083 Mg\n0.199768 0.999869 0.667083 Mg\n0.000000 0.000000 0.667308 Mg\n0.266641 0.533282 0.833239 Mg\n0.266641 0.733358 0.833239 Mg\n0.466718 0.733359 0.833239 Mg\n0.066684 0.533342 0.833367 Mg\n0.466658 0.533342 0.833367 Mg\n0.466658 0.933316 0.833367 Mg\n0.266429 0.333092 0.833413 Mg\n0.066662 0.333092 0.833413 Mg\n0.066662 0.733571 0.833413 Mg\n0.666909 0.733571 0.833413 Mg\n0.666909 0.933338 0.833413 Mg\n0.266429 0.933338 0.833413 Mg\n0.866718 0.133281 0.833415 Mg\n0.266563 0.133281 0.833415 Mg\n0.866718 0.733437 0.833415 Mg\n0.466602 0.133296 0.833426 Mg\n0.666694 0.133296 0.833426 Mg\n0.466602 0.333306 0.833426 Mg\n0.866704 0.333306 0.833426 Mg\n0.666694 0.533398 0.833426 Mg\n0.866704 0.533399 0.833426 Mg\n0.666667 0.333333 0.833442 Mg\n0.066216 0.132431 0.834614 Mg\n0.867569 0.933784 0.834614 Mg\n0.066216 0.933785 0.834614 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.761396562020992,
"density_atomic": 0.04385163830833944,
"volume": 3420.6247653801775,
"volume_molar": 13.73298921617427,
"formula_full": "Li1 Mg149",
"formula_reduced": "LiMg149",
"formula_anonymous": "AB149",
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"spacegroup": 187
},
{
"id": "oqmd-31745",
"created_at": "2022-09-04T14:49:02.354674Z",
"updated_at": "2022-09-04T14:49:02.354698Z",
"structure_string": "Mg149 Ir1\n1.0\n13.766560 -7.948131 0.000000\n0.000000 15.896261 0.000000\n0.000000 0.000000 15.540043\nIr Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ir\n0.602541 0.000339 0.000000 Mg\n0.397799 0.000339 0.000000 Mg\n0.812592 0.002181 0.000000 Mg\n0.189589 0.002181 0.000000 Mg\n0.997819 0.187408 0.000000 Mg\n0.189589 0.187408 0.000000 Mg\n0.801226 0.198773 0.000000 Mg\n0.397547 0.198773 0.000000 Mg\n0.599815 0.199631 0.000000 Mg\n0.197922 0.395843 0.000000 Mg\n0.999661 0.397459 0.000000 Mg\n0.397799 0.397459 0.000000 Mg\n0.599815 0.400185 0.000000 Mg\n0.800369 0.400185 0.000000 Mg\n0.199466 0.599733 0.000000 Mg\n0.400267 0.599733 0.000000 Mg\n0.999661 0.602201 0.000000 Mg\n0.602541 0.602201 0.000000 Mg\n0.801226 0.602453 0.000000 Mg\n0.400267 0.800534 0.000000 Mg\n0.604157 0.802078 0.000000 Mg\n0.197922 0.802078 0.000000 Mg\n0.812592 0.810411 0.000000 Mg\n0.997819 0.810411 0.000000 Mg\n0.062792 0.125584 0.156578 Mg\n0.874417 0.937208 0.156578 Mg\n0.062792 0.937208 0.156578 Mg\n0.065655 0.330079 0.165095 Mg\n0.264423 0.330079 0.165095 Mg\n0.065655 0.735577 0.165095 Mg\n0.669921 0.735577 0.165095 Mg\n0.669921 0.934344 0.165095 Mg\n0.264423 0.934344 0.165095 Mg\n0.466696 0.533304 0.165822 Mg\n0.066609 0.533304 0.165822 Mg\n0.466696 0.933392 0.165822 Mg\n0.266168 0.532336 0.165965 Mg\n0.266168 0.733832 0.165965 Mg\n0.467664 0.733832 0.165965 Mg\n0.666437 0.133682 0.166670 Mg\n0.467245 0.133682 0.166670 Mg\n0.467245 0.333562 0.166670 Mg\n0.866318 0.333563 0.166670 Mg\n0.866318 0.532755 0.166670 Mg\n0.666437 0.532756 0.166670 Mg\n0.666667 0.333333 0.166822 Mg\n0.269179 0.134590 0.167538 Mg\n0.865410 0.134590 0.167538 Mg\n0.865410 0.730820 0.167538 Mg\n0.000000 0.000000 0.330982 Mg\n0.000455 0.198848 0.331090 Mg\n0.198393 0.198848 0.331090 Mg\n0.801151 0.801607 0.331090 Mg\n0.000455 0.801607 0.331090 Mg\n0.801151 0.999544 0.331090 Mg\n0.198393 0.999545 0.331090 Mg\n0.399282 0.399532 0.332566 Mg\n0.000250 0.399532 0.332566 Mg\n0.600468 0.600718 0.332566 Mg\n0.000250 0.600718 0.332566 Mg\n0.399282 0.999750 0.332566 Mg\n0.600468 0.999750 0.332566 Mg\n0.199810 0.399619 0.332673 Mg\n0.199810 0.800190 0.332673 Mg\n0.600381 0.800190 0.332673 Mg\n0.200080 0.600040 0.333073 Mg\n0.399960 0.600040 0.333073 Mg\n0.399960 0.799920 0.333073 Mg\n0.599920 0.199839 0.333522 Mg\n0.599920 0.400080 0.333522 Mg\n0.800161 0.400080 0.333522 Mg\n0.800045 0.199955 0.333706 Mg\n0.399910 0.199955 0.333706 Mg\n0.800045 0.600090 0.333706 Mg\n0.066414 0.132828 0.500000 Mg\n0.265884 0.132942 0.500000 Mg\n0.867058 0.132942 0.500000 Mg\n0.666593 0.133117 0.500000 Mg\n0.466525 0.133117 0.500000 Mg\n0.066293 0.332611 0.500000 Mg\n0.266318 0.332611 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866883 0.333407 0.500000 Mg\n0.466525 0.333407 0.500000 Mg\n0.266468 0.532937 0.500000 Mg\n0.466736 0.533264 0.500000 Mg\n0.066528 0.533264 0.500000 Mg\n0.866883 0.533475 0.500000 Mg\n0.666593 0.533476 0.500000 Mg\n0.266468 0.733531 0.500000 Mg\n0.467063 0.733531 0.500000 Mg\n0.066293 0.733682 0.500000 Mg\n0.667389 0.733682 0.500000 Mg\n0.867058 0.734115 0.500000 Mg\n0.466736 0.933472 0.500000 Mg\n0.066414 0.933586 0.500000 Mg\n0.867172 0.933586 0.500000 Mg\n0.266318 0.933706 0.500000 Mg\n0.667389 0.933707 0.500000 Mg\n0.800045 0.199955 0.666294 Mg\n0.399910 0.199955 0.666294 Mg\n0.800045 0.600090 0.666294 Mg\n0.599920 0.199839 0.666479 Mg\n0.599920 0.400080 0.666479 Mg\n0.800161 0.400080 0.666479 Mg\n0.200080 0.600040 0.666927 Mg\n0.399960 0.600040 0.666927 Mg\n0.399960 0.799920 0.666927 Mg\n0.199810 0.399619 0.667327 Mg\n0.199810 0.800190 0.667327 Mg\n0.600381 0.800190 0.667327 Mg\n0.399282 0.399532 0.667434 Mg\n0.000250 0.399532 0.667434 Mg\n0.600468 0.600718 0.667434 Mg\n0.000250 0.600718 0.667434 Mg\n0.399282 0.999750 0.667434 Mg\n0.600468 0.999750 0.667434 Mg\n0.000455 0.198848 0.668909 Mg\n0.198393 0.198848 0.668909 Mg\n0.801151 0.801607 0.668909 Mg\n0.000455 0.801607 0.668909 Mg\n0.801151 0.999544 0.668909 Mg\n0.198393 0.999545 0.668909 Mg\n0.000000 0.000000 0.669018 Mg\n0.269179 0.134590 0.832462 Mg\n0.865410 0.134590 0.832462 Mg\n0.865410 0.730820 0.832462 Mg\n0.666667 0.333333 0.833179 Mg\n0.666437 0.133682 0.833330 Mg\n0.467245 0.133682 0.833330 Mg\n0.467245 0.333562 0.833330 Mg\n0.866318 0.333563 0.833330 Mg\n0.866318 0.532755 0.833330 Mg\n0.666437 0.532756 0.833330 Mg\n0.266168 0.532336 0.834035 Mg\n0.266168 0.733832 0.834035 Mg\n0.467664 0.733832 0.834035 Mg\n0.466696 0.533304 0.834179 Mg\n0.066609 0.533304 0.834179 Mg\n0.466696 0.933392 0.834179 Mg\n0.065655 0.330079 0.834904 Mg\n0.264423 0.330079 0.834904 Mg\n0.065655 0.735577 0.834904 Mg\n0.669921 0.735577 0.834904 Mg\n0.669921 0.934344 0.834904 Mg\n0.264423 0.934344 0.834904 Mg\n0.062792 0.125584 0.843422 Mg\n0.874417 0.937208 0.843422 Mg\n0.062792 0.937208 0.843422 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ir",
"Mg"
],
"chemical_system": "Ir-Mg",
"density": 1.862167162339299,
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{
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"updated_at": "2022-09-04T15:15:52.028576Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"As",
"Mg"
],
"chemical_system": "As-Mg",
"density": 1.7931999239004819,
"density_atomic": 0.04382236744164604,
"volume": 3422.9095495522993,
"volume_molar": 13.742162077434761,
"formula_full": "Mg149 As1",
"formula_reduced": "Mg149As",
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"formation_energy": -0.0028655752055588,
"spacegroup": 187
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{
"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",
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"elements": [
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"chemical_system": "Mg-S",
"density": 1.7738177811859643,
"density_atomic": 0.04385719635877946,
"volume": 3420.191267424065,
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"formula_full": "Mg149 S1",
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{
"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-31746",
"created_at": "2022-09-04T14:49:02.923837Z",
"updated_at": "2022-09-04T14:49:02.923867Z",
"structure_string": "K1 Mg149\n1.0\n13.823652 -7.981093 0.000000\n0.000000 15.962186 0.000000\n0.000000 0.000000 15.651427\nK Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 K\n0.600283 0.200565 0.000000 Mg\n0.401459 0.200730 0.000000 Mg\n0.799271 0.200730 0.000000 Mg\n0.002165 0.209709 0.000000 Mg\n0.207544 0.209710 0.000000 Mg\n0.799434 0.399717 0.000000 Mg\n0.600283 0.399717 0.000000 Mg\n0.402007 0.402409 0.000000 Mg\n0.000403 0.402410 0.000000 Mg\n0.201735 0.403471 0.000000 Mg\n0.597590 0.597994 0.000000 Mg\n0.000403 0.597994 0.000000 Mg\n0.799271 0.598541 0.000000 Mg\n0.200859 0.600429 0.000000 Mg\n0.399570 0.600429 0.000000 Mg\n0.002165 0.792455 0.000000 Mg\n0.790290 0.792455 0.000000 Mg\n0.596529 0.798264 0.000000 Mg\n0.201735 0.798265 0.000000 Mg\n0.399570 0.799141 0.000000 Mg\n0.207544 0.997835 0.000000 Mg\n0.790290 0.997835 0.000000 Mg\n0.402007 0.999597 0.000000 Mg\n0.597590 0.999597 0.000000 Mg\n0.868124 0.131876 0.165249 Mg\n0.263752 0.131876 0.165249 Mg\n0.868124 0.736247 0.165249 Mg\n0.666667 0.333333 0.166368 Mg\n0.465870 0.132952 0.166534 Mg\n0.667082 0.132952 0.166534 Mg\n0.867048 0.332917 0.166534 Mg\n0.465870 0.332918 0.166534 Mg\n0.667082 0.534130 0.166534 Mg\n0.867048 0.534131 0.166534 Mg\n0.267099 0.534198 0.167285 Mg\n0.465802 0.732901 0.167285 Mg\n0.267099 0.732901 0.167285 Mg\n0.066786 0.533393 0.167426 Mg\n0.466608 0.533393 0.167426 Mg\n0.466608 0.933215 0.167426 Mg\n0.268279 0.335871 0.167832 Mg\n0.067593 0.335872 0.167832 Mg\n0.664128 0.731721 0.167832 Mg\n0.067593 0.731722 0.167832 Mg\n0.268279 0.932407 0.167832 Mg\n0.664128 0.932407 0.167832 Mg\n0.069582 0.139165 0.173624 Mg\n0.860835 0.930418 0.173624 Mg\n0.069582 0.930418 0.173624 Mg\n0.799997 0.200003 0.332830 Mg\n0.400006 0.200003 0.332830 Mg\n0.799997 0.599994 0.332830 Mg\n0.600112 0.200224 0.333063 Mg\n0.799776 0.399888 0.333063 Mg\n0.600112 0.399888 0.333063 Mg\n0.200054 0.600027 0.333740 Mg\n0.399973 0.600027 0.333740 Mg\n0.399973 0.799946 0.333740 Mg\n0.599582 0.000193 0.333784 Mg\n0.400611 0.000193 0.333784 Mg\n0.400611 0.400418 0.333784 Mg\n0.999807 0.400418 0.333784 Mg\n0.599582 0.599389 0.333784 Mg\n0.999807 0.599389 0.333784 Mg\n0.000000 0.000000 0.333800 Mg\n0.200189 0.400378 0.333868 Mg\n0.200189 0.799811 0.333868 Mg\n0.599622 0.799811 0.333868 Mg\n0.799037 0.000425 0.334927 Mg\n0.201387 0.000425 0.334927 Mg\n0.201387 0.200963 0.334927 Mg\n0.999575 0.200963 0.334927 Mg\n0.799037 0.798612 0.334927 Mg\n0.999575 0.798613 0.334927 Mg\n0.066677 0.133354 0.500000 Mg\n0.866458 0.133542 0.500000 Mg\n0.267085 0.133542 0.500000 Mg\n0.466968 0.133863 0.500000 Mg\n0.666894 0.133863 0.500000 Mg\n0.466968 0.333106 0.500000 Mg\n0.866137 0.333106 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066983 0.333884 0.500000 Mg\n0.266901 0.333884 0.500000 Mg\n0.866137 0.533031 0.500000 Mg\n0.666894 0.533031 0.500000 Mg\n0.466642 0.533358 0.500000 Mg\n0.066717 0.533358 0.500000 Mg\n0.266874 0.533749 0.500000 Mg\n0.866458 0.732915 0.500000 Mg\n0.066983 0.733099 0.500000 Mg\n0.666116 0.733099 0.500000 Mg\n0.466252 0.733126 0.500000 Mg\n0.266874 0.733126 0.500000 Mg\n0.666116 0.933016 0.500000 Mg\n0.266901 0.933017 0.500000 Mg\n0.466642 0.933283 0.500000 Mg\n0.866647 0.933323 0.500000 Mg\n0.066677 0.933324 0.500000 Mg\n0.799037 0.000425 0.665074 Mg\n0.201387 0.000425 0.665074 Mg\n0.201387 0.200963 0.665074 Mg\n0.999575 0.200963 0.665074 Mg\n0.799037 0.798612 0.665074 Mg\n0.999575 0.798613 0.665074 Mg\n0.200189 0.400378 0.666132 Mg\n0.200189 0.799811 0.666132 Mg\n0.599622 0.799811 0.666132 Mg\n0.000000 0.000000 0.666200 Mg\n0.599582 0.000193 0.666217 Mg\n0.400611 0.000193 0.666217 Mg\n0.400611 0.400418 0.666217 Mg\n0.999807 0.400418 0.666217 Mg\n0.599582 0.599389 0.666217 Mg\n0.999807 0.599389 0.666217 Mg\n0.200054 0.600027 0.666259 Mg\n0.399973 0.600027 0.666259 Mg\n0.399973 0.799946 0.666259 Mg\n0.600112 0.200224 0.666937 Mg\n0.799776 0.399888 0.666937 Mg\n0.600112 0.399888 0.666937 Mg\n0.799997 0.200003 0.667169 Mg\n0.400006 0.200003 0.667169 Mg\n0.799997 0.599994 0.667169 Mg\n0.069582 0.139165 0.826376 Mg\n0.860835 0.930418 0.826376 Mg\n0.069582 0.930418 0.826376 Mg\n0.268279 0.335871 0.832168 Mg\n0.067593 0.335872 0.832168 Mg\n0.664128 0.731721 0.832168 Mg\n0.067593 0.731722 0.832168 Mg\n0.268279 0.932407 0.832168 Mg\n0.664128 0.932407 0.832168 Mg\n0.066786 0.533393 0.832573 Mg\n0.466608 0.533393 0.832573 Mg\n0.466608 0.933215 0.832573 Mg\n0.267099 0.534198 0.832715 Mg\n0.465802 0.732901 0.832715 Mg\n0.267099 0.732901 0.832715 Mg\n0.465870 0.132952 0.833466 Mg\n0.667082 0.132952 0.833466 Mg\n0.867048 0.332917 0.833466 Mg\n0.465870 0.332918 0.833466 Mg\n0.667082 0.534130 0.833466 Mg\n0.867048 0.534131 0.833466 Mg\n0.666667 0.333333 0.833631 Mg\n0.868124 0.131876 0.834751 Mg\n0.263752 0.131876 0.834751 Mg\n0.868124 0.736247 0.834751 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"K",
"Mg"
],
"chemical_system": "K-Mg",
"density": 1.7600521924948478,
"density_atomic": 0.04343323319716013,
"volume": 3453.576649914419,
"volume_molar": 13.865283140822582,
"formula_full": "K1 Mg149",
"formula_reduced": "KMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0096333189944412,
"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-31744",
"created_at": "2022-09-04T14:49:02.945631Z",
"updated_at": "2022-09-04T14:49:02.945661Z",
"structure_string": "Mg149 In1\n1.0\n13.776754 -7.954017 0.000000\n0.000000 15.908033 0.000000\n0.000000 0.000000 15.644349\nIn Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 In\n0.800027 0.000630 0.000000 Mg\n0.200602 0.000630 0.000000 Mg\n0.999370 0.199972 0.000000 Mg\n0.200602 0.199972 0.000000 Mg\n0.800016 0.199984 0.000000 Mg\n0.399967 0.199984 0.000000 Mg\n0.600035 0.200071 0.000000 Mg\n0.199672 0.399344 0.000000 Mg\n0.600035 0.399965 0.000000 Mg\n0.799929 0.399965 0.000000 Mg\n0.000000 0.400262 0.000000 Mg\n0.400180 0.400262 0.000000 Mg\n0.000000 0.599820 0.000000 Mg\n0.599739 0.599820 0.000000 Mg\n0.400021 0.599979 0.000000 Mg\n0.199959 0.599980 0.000000 Mg\n0.800016 0.600033 0.000000 Mg\n0.999370 0.799397 0.000000 Mg\n0.800027 0.799397 0.000000 Mg\n0.400021 0.800042 0.000000 Mg\n0.199672 0.800328 0.000000 Mg\n0.600656 0.800328 0.000000 Mg\n0.400180 0.000000 0.000000 Mg\n0.599739 0.000000 0.000000 Mg\n0.066461 0.332891 0.166534 Mg\n0.266431 0.332892 0.166534 Mg\n0.066461 0.733569 0.166534 Mg\n0.667109 0.733569 0.166534 Mg\n0.266431 0.933540 0.166534 Mg\n0.667109 0.933540 0.166534 Mg\n0.666576 0.133338 0.166591 Mg\n0.466762 0.133338 0.166591 Mg\n0.466762 0.333423 0.166591 Mg\n0.866662 0.333424 0.166591 Mg\n0.866662 0.533238 0.166591 Mg\n0.666576 0.533239 0.166591 Mg\n0.666666 0.333333 0.166629 Mg\n0.466621 0.533380 0.166691 Mg\n0.066759 0.533380 0.166691 Mg\n0.466621 0.933242 0.166691 Mg\n0.266572 0.533144 0.166693 Mg\n0.266572 0.733428 0.166693 Mg\n0.466855 0.733428 0.166693 Mg\n0.066742 0.133484 0.167160 Mg\n0.866516 0.933258 0.167160 Mg\n0.066742 0.933259 0.167160 Mg\n0.267161 0.133580 0.167173 Mg\n0.866420 0.133581 0.167173 Mg\n0.866420 0.732839 0.167173 Mg\n0.199895 0.399791 0.333194 Mg\n0.199895 0.800105 0.333194 Mg\n0.600209 0.800105 0.333194 Mg\n0.600013 0.200026 0.333247 Mg\n0.600013 0.399987 0.333247 Mg\n0.799974 0.399987 0.333247 Mg\n0.600131 0.000000 0.333258 Mg\n0.399921 0.000000 0.333258 Mg\n0.000000 0.399868 0.333258 Mg\n0.399921 0.399869 0.333258 Mg\n0.600131 0.600079 0.333258 Mg\n0.000000 0.600079 0.333258 Mg\n0.000000 0.000000 0.333296 Mg\n0.799982 0.200018 0.333320 Mg\n0.400037 0.200018 0.333320 Mg\n0.799982 0.599963 0.333320 Mg\n0.400005 0.599995 0.333395 Mg\n0.199990 0.599995 0.333395 Mg\n0.400005 0.800010 0.333395 Mg\n0.800072 0.000000 0.333545 Mg\n0.199948 0.000000 0.333545 Mg\n0.000000 0.199927 0.333545 Mg\n0.199948 0.199928 0.333545 Mg\n0.000000 0.800052 0.333545 Mg\n0.800072 0.800053 0.333545 Mg\n0.066614 0.133227 0.500000 Mg\n0.866668 0.133331 0.500000 Mg\n0.266664 0.133332 0.500000 Mg\n0.466728 0.133342 0.500000 Mg\n0.666613 0.133342 0.500000 Mg\n0.066606 0.333276 0.500000 Mg\n0.266670 0.333276 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.466728 0.333387 0.500000 Mg\n0.866658 0.333387 0.500000 Mg\n0.666613 0.533272 0.500000 Mg\n0.866658 0.533272 0.500000 Mg\n0.466698 0.533302 0.500000 Mg\n0.066604 0.533302 0.500000 Mg\n0.266656 0.533312 0.500000 Mg\n0.666724 0.733330 0.500000 Mg\n0.066606 0.733330 0.500000 Mg\n0.866668 0.733336 0.500000 Mg\n0.266656 0.733344 0.500000 Mg\n0.466688 0.733344 0.500000 Mg\n0.066614 0.933387 0.500000 Mg\n0.866773 0.933387 0.500000 Mg\n0.666724 0.933394 0.500000 Mg\n0.266670 0.933394 0.500000 Mg\n0.466698 0.933396 0.500000 Mg\n0.800072 0.000000 0.666455 Mg\n0.199948 0.000000 0.666455 Mg\n0.000000 0.199927 0.666455 Mg\n0.199948 0.199928 0.666455 Mg\n0.000000 0.800052 0.666455 Mg\n0.800072 0.800053 0.666455 Mg\n0.400005 0.599995 0.666604 Mg\n0.199990 0.599995 0.666604 Mg\n0.400005 0.800010 0.666604 Mg\n0.799982 0.200018 0.666680 Mg\n0.400037 0.200018 0.666680 Mg\n0.799982 0.599963 0.666680 Mg\n0.000000 0.000000 0.666704 Mg\n0.600131 0.000000 0.666742 Mg\n0.399921 0.000000 0.666742 Mg\n0.000000 0.399868 0.666742 Mg\n0.399921 0.399869 0.666742 Mg\n0.600131 0.600079 0.666742 Mg\n0.000000 0.600079 0.666742 Mg\n0.600013 0.200026 0.666753 Mg\n0.600013 0.399987 0.666753 Mg\n0.799974 0.399987 0.666753 Mg\n0.199895 0.399791 0.666806 Mg\n0.199895 0.800105 0.666806 Mg\n0.600209 0.800105 0.666806 Mg\n0.267161 0.133580 0.832827 Mg\n0.866420 0.133581 0.832827 Mg\n0.866420 0.732839 0.832827 Mg\n0.066742 0.133484 0.832840 Mg\n0.866516 0.933258 0.832840 Mg\n0.066742 0.933259 0.832840 Mg\n0.266572 0.533144 0.833307 Mg\n0.266572 0.733428 0.833307 Mg\n0.466855 0.733428 0.833307 Mg\n0.466621 0.533380 0.833309 Mg\n0.066759 0.533380 0.833309 Mg\n0.466621 0.933242 0.833309 Mg\n0.666666 0.333333 0.833371 Mg\n0.666576 0.133338 0.833410 Mg\n0.466762 0.133338 0.833410 Mg\n0.466762 0.333423 0.833410 Mg\n0.866662 0.333424 0.833410 Mg\n0.866662 0.533238 0.833410 Mg\n0.666576 0.533239 0.833410 Mg\n0.066461 0.332891 0.833466 Mg\n0.266431 0.332892 0.833466 Mg\n0.066461 0.733569 0.833466 Mg\n0.667109 0.733569 0.833466 Mg\n0.266431 0.933540 0.833466 Mg\n0.667109 0.933540 0.833466 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"In",
"Mg"
],
"chemical_system": "In-Mg",
"density": 1.8095294430092304,
"density_atomic": 0.04374922624129446,
"volume": 3428.6320670607997,
"volume_molar": 13.765136614726597,
"formula_full": "Mg149 In1",
"formula_reduced": "Mg149In",
"formula_anonymous": "AB149",
"formation_energy": -0.001580892305559,
"spacegroup": 187
}
]
}