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{
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{
"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",
"formation_energy": -0.0010081605055588,
"spacegroup": 187
},
{
"id": "oqmd-31782",
"created_at": "2022-09-04T14:49:01.307452Z",
"updated_at": "2022-09-04T14:49:01.307480Z",
"structure_string": "Tb1 Mg149\n1.0\n13.819719 -7.978822 0.000000\n0.000000 15.957644 0.000000\n0.000000 0.000000 15.622243\nMg Tb\n149 1\ndirect\n0.599941 0.199881 0.000000 Mg\n0.799519 0.200481 0.000000 Mg\n0.400962 0.200481 0.000000 Mg\n0.201370 0.204357 0.000000 Mg\n0.002987 0.204357 0.000000 Mg\n0.000141 0.399922 0.000000 Mg\n0.399781 0.399922 0.000000 Mg\n0.800119 0.400060 0.000000 Mg\n0.599941 0.400060 0.000000 Mg\n0.201511 0.403021 0.000000 Mg\n0.799519 0.599038 0.000000 Mg\n0.000141 0.600219 0.000000 Mg\n0.600079 0.600220 0.000000 Mg\n0.399777 0.600223 0.000000 Mg\n0.200446 0.600223 0.000000 Mg\n0.596979 0.798489 0.000000 Mg\n0.201511 0.798490 0.000000 Mg\n0.795643 0.798630 0.000000 Mg\n0.002987 0.798630 0.000000 Mg\n0.399777 0.799554 0.000000 Mg\n0.201370 0.997013 0.000000 Mg\n0.795643 0.997013 0.000000 Mg\n0.399781 0.999859 0.000000 Mg\n0.600079 0.999859 0.000000 Mg\n0.263484 0.131742 0.164656 Mg\n0.868258 0.131742 0.164656 Mg\n0.868258 0.736516 0.164656 Mg\n0.666667 0.333333 0.166319 Mg\n0.465475 0.132808 0.166507 Mg\n0.667333 0.132808 0.166507 Mg\n0.465475 0.332667 0.166507 Mg\n0.867192 0.332668 0.166507 Mg\n0.667333 0.534524 0.166507 Mg\n0.867192 0.534524 0.166507 Mg\n0.066598 0.533299 0.167264 Mg\n0.466701 0.533299 0.167264 Mg\n0.466701 0.933402 0.167264 Mg\n0.267154 0.534309 0.167461 Mg\n0.465691 0.732845 0.167461 Mg\n0.267154 0.732846 0.167461 Mg\n0.267803 0.335689 0.167643 Mg\n0.067886 0.335689 0.167643 Mg\n0.664311 0.732197 0.167643 Mg\n0.067886 0.732197 0.167643 Mg\n0.664311 0.932114 0.167643 Mg\n0.267803 0.932114 0.167643 Mg\n0.067604 0.135208 0.169066 Mg\n0.864792 0.932396 0.169066 Mg\n0.067604 0.932396 0.169066 Mg\n0.399889 0.199944 0.332890 Mg\n0.800056 0.199945 0.332890 Mg\n0.800056 0.600111 0.332890 Mg\n0.600081 0.200162 0.332938 Mg\n0.799838 0.399919 0.332938 Mg\n0.600081 0.399919 0.332938 Mg\n0.200424 0.200438 0.333393 Mg\n0.000000 0.200438 0.333393 Mg\n0.000000 0.799575 0.333393 Mg\n0.799563 0.799576 0.333393 Mg\n0.799563 0.000000 0.333393 Mg\n0.200424 0.000000 0.333393 Mg\n0.400437 0.000216 0.333740 Mg\n0.599780 0.000217 0.333740 Mg\n0.400437 0.400220 0.333740 Mg\n0.999784 0.400221 0.333740 Mg\n0.999784 0.599563 0.333740 Mg\n0.599780 0.599563 0.333740 Mg\n0.399976 0.600024 0.333885 Mg\n0.200049 0.600024 0.333885 Mg\n0.399976 0.799951 0.333885 Mg\n0.200314 0.400630 0.334141 Mg\n0.599370 0.799685 0.334141 Mg\n0.200314 0.799685 0.334141 Mg\n0.000000 0.000000 0.334431 Mg\n0.866497 0.133503 0.500000 Mg\n0.267006 0.133503 0.500000 Mg\n0.066799 0.133599 0.500000 Mg\n0.667068 0.134196 0.500000 Mg\n0.467129 0.134196 0.500000 Mg\n0.865803 0.332932 0.500000 Mg\n0.467129 0.332932 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266916 0.333663 0.500000 Mg\n0.066747 0.333663 0.500000 Mg\n0.865803 0.532871 0.500000 Mg\n0.667068 0.532872 0.500000 Mg\n0.066306 0.533153 0.500000 Mg\n0.466847 0.533153 0.500000 Mg\n0.266763 0.533526 0.500000 Mg\n0.866497 0.732994 0.500000 Mg\n0.066747 0.733083 0.500000 Mg\n0.666337 0.733083 0.500000 Mg\n0.466474 0.733237 0.500000 Mg\n0.266763 0.733237 0.500000 Mg\n0.866401 0.933200 0.500000 Mg\n0.066799 0.933200 0.500000 Mg\n0.266916 0.933253 0.500000 Mg\n0.666337 0.933253 0.500000 Mg\n0.466847 0.933693 0.500000 Mg\n0.000000 0.000000 0.665569 Mg\n0.200314 0.400630 0.665859 Mg\n0.599370 0.799685 0.665859 Mg\n0.200314 0.799685 0.665859 Mg\n0.399976 0.600024 0.666115 Mg\n0.200049 0.600024 0.666115 Mg\n0.399976 0.799951 0.666115 Mg\n0.400437 0.000216 0.666260 Mg\n0.599780 0.000217 0.666260 Mg\n0.400437 0.400220 0.666260 Mg\n0.999784 0.400221 0.666260 Mg\n0.999784 0.599563 0.666260 Mg\n0.599780 0.599563 0.666260 Mg\n0.200424 0.200438 0.666607 Mg\n0.000000 0.200438 0.666607 Mg\n0.000000 0.799575 0.666607 Mg\n0.799563 0.799576 0.666607 Mg\n0.799563 0.000000 0.666607 Mg\n0.200424 0.000000 0.666607 Mg\n0.600081 0.200162 0.667062 Mg\n0.799838 0.399919 0.667062 Mg\n0.600081 0.399919 0.667062 Mg\n0.399889 0.199944 0.667110 Mg\n0.800056 0.199945 0.667110 Mg\n0.800056 0.600111 0.667110 Mg\n0.067604 0.135208 0.830934 Mg\n0.864792 0.932396 0.830934 Mg\n0.067604 0.932396 0.830934 Mg\n0.267803 0.335689 0.832357 Mg\n0.067886 0.335689 0.832357 Mg\n0.664311 0.732197 0.832357 Mg\n0.067886 0.732197 0.832357 Mg\n0.664311 0.932114 0.832357 Mg\n0.267803 0.932114 0.832357 Mg\n0.267154 0.534309 0.832539 Mg\n0.465691 0.732845 0.832539 Mg\n0.267154 0.732846 0.832539 Mg\n0.066598 0.533299 0.832736 Mg\n0.466701 0.533299 0.832736 Mg\n0.466701 0.933402 0.832736 Mg\n0.465475 0.132808 0.833493 Mg\n0.667333 0.132808 0.833493 Mg\n0.465475 0.332667 0.833493 Mg\n0.867192 0.332668 0.833493 Mg\n0.667333 0.534524 0.833493 Mg\n0.867192 0.534524 0.833493 Mg\n0.666667 0.333333 0.833681 Mg\n0.263484 0.131742 0.835344 Mg\n0.868258 0.131742 0.835344 Mg\n0.868258 0.736516 0.835344 Mg\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Tb"
],
"chemical_system": "Mg-Tb",
"density": 1.8220994298396216,
"density_atomic": 0.04353914391880398,
"volume": 3445.1756855792696,
"volume_molar": 13.83155528099191,
"formula_full": "Tb1 Mg149",
"formula_reduced": "TbMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0045380857299966,
"spacegroup": 187
},
{
"id": "oqmd-31774",
"created_at": "2022-09-04T14:49:01.171043Z",
"updated_at": "2022-09-04T14:49:01.171081Z",
"structure_string": "Mg149 Sb1\n1.0\n13.793912 -7.963922 0.000000\n0.000000 15.927846 0.000000\n0.000000 0.000000 15.631900\nMg Sb\n149 1\ndirect\n0.799370 0.001216 0.000000 Mg\n0.201846 0.001216 0.000000 Mg\n0.799996 0.200004 0.000000 Mg\n0.400008 0.200004 0.000000 Mg\n0.600136 0.200273 0.000000 Mg\n0.998784 0.200630 0.000000 Mg\n0.201846 0.200630 0.000000 Mg\n0.199343 0.398686 0.000000 Mg\n0.600136 0.399863 0.000000 Mg\n0.799727 0.399863 0.000000 Mg\n0.000254 0.400895 0.000000 Mg\n0.400641 0.400896 0.000000 Mg\n0.000254 0.599359 0.000000 Mg\n0.599104 0.599359 0.000000 Mg\n0.799996 0.599993 0.000000 Mg\n0.200021 0.600010 0.000000 Mg\n0.399990 0.600011 0.000000 Mg\n0.998784 0.798154 0.000000 Mg\n0.799370 0.798154 0.000000 Mg\n0.399990 0.799979 0.000000 Mg\n0.601315 0.800657 0.000000 Mg\n0.199343 0.800657 0.000000 Mg\n0.599104 0.999745 0.000000 Mg\n0.400641 0.999746 0.000000 Mg\n0.266301 0.332496 0.166306 Mg\n0.066196 0.332497 0.166306 Mg\n0.667503 0.733699 0.166306 Mg\n0.066196 0.733699 0.166306 Mg\n0.266301 0.933804 0.166306 Mg\n0.667503 0.933804 0.166306 Mg\n0.466693 0.133280 0.166348 Mg\n0.666587 0.133280 0.166348 Mg\n0.866720 0.333413 0.166348 Mg\n0.466693 0.333413 0.166348 Mg\n0.666587 0.533307 0.166348 Mg\n0.866720 0.533307 0.166348 Mg\n0.266431 0.532861 0.166354 Mg\n0.266431 0.733569 0.166354 Mg\n0.467139 0.733569 0.166354 Mg\n0.666667 0.333333 0.166369 Mg\n0.066774 0.533387 0.166594 Mg\n0.466613 0.533387 0.166594 Mg\n0.466613 0.933226 0.166594 Mg\n0.866480 0.133520 0.167290 Mg\n0.267040 0.133520 0.167290 Mg\n0.866480 0.732960 0.167290 Mg\n0.066972 0.133944 0.168070 Mg\n0.866055 0.933027 0.168070 Mg\n0.066972 0.933028 0.168070 Mg\n0.199800 0.399600 0.332887 Mg\n0.600400 0.800200 0.332887 Mg\n0.199800 0.800200 0.332887 Mg\n0.000000 0.000000 0.332899 Mg\n0.399966 0.199983 0.333110 Mg\n0.800017 0.199983 0.333110 Mg\n0.800017 0.600034 0.333110 Mg\n0.600001 0.200001 0.333123 Mg\n0.799999 0.399999 0.333123 Mg\n0.600001 0.400000 0.333123 Mg\n0.399889 0.000000 0.333160 Mg\n0.600129 0.000000 0.333160 Mg\n0.000000 0.399871 0.333160 Mg\n0.399889 0.399871 0.333160 Mg\n0.000000 0.600111 0.333160 Mg\n0.600129 0.600111 0.333160 Mg\n0.399997 0.600002 0.333221 Mg\n0.200005 0.600002 0.333221 Mg\n0.399997 0.799995 0.333221 Mg\n0.800096 0.000000 0.333820 Mg\n0.199980 0.000000 0.333820 Mg\n0.199980 0.199905 0.333820 Mg\n0.000000 0.199905 0.333820 Mg\n0.000000 0.800021 0.333820 Mg\n0.800096 0.800021 0.333820 Mg\n0.066588 0.133176 0.500000 Mg\n0.666545 0.133333 0.500000 Mg\n0.466789 0.133334 0.500000 Mg\n0.266726 0.133363 0.500000 Mg\n0.866637 0.133363 0.500000 Mg\n0.266594 0.333262 0.500000 Mg\n0.066669 0.333263 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466789 0.333455 0.500000 Mg\n0.866666 0.333455 0.500000 Mg\n0.666545 0.533211 0.500000 Mg\n0.866666 0.533212 0.500000 Mg\n0.266697 0.533394 0.500000 Mg\n0.066823 0.533411 0.500000 Mg\n0.466588 0.533411 0.500000 Mg\n0.866637 0.733274 0.500000 Mg\n0.466606 0.733303 0.500000 Mg\n0.266697 0.733303 0.500000 Mg\n0.666738 0.733407 0.500000 Mg\n0.066669 0.733407 0.500000 Mg\n0.466588 0.933177 0.500000 Mg\n0.266594 0.933331 0.500000 Mg\n0.666738 0.933331 0.500000 Mg\n0.866824 0.933412 0.500000 Mg\n0.066588 0.933412 0.500000 Mg\n0.800096 0.000000 0.666180 Mg\n0.199980 0.000000 0.666180 Mg\n0.199980 0.199905 0.666180 Mg\n0.000000 0.199905 0.666180 Mg\n0.000000 0.800021 0.666180 Mg\n0.800096 0.800021 0.666180 Mg\n0.399997 0.600002 0.666779 Mg\n0.200005 0.600002 0.666779 Mg\n0.399997 0.799995 0.666779 Mg\n0.399889 0.000000 0.666840 Mg\n0.600129 0.000000 0.666840 Mg\n0.000000 0.399871 0.666840 Mg\n0.399889 0.399871 0.666840 Mg\n0.000000 0.600111 0.666840 Mg\n0.600129 0.600111 0.666840 Mg\n0.600001 0.200001 0.666876 Mg\n0.799999 0.399999 0.666876 Mg\n0.600001 0.400000 0.666876 Mg\n0.399966 0.199983 0.666890 Mg\n0.800017 0.199983 0.666890 Mg\n0.800017 0.600034 0.666890 Mg\n0.000000 0.000000 0.667101 Mg\n0.199800 0.399600 0.667113 Mg\n0.600400 0.800200 0.667113 Mg\n0.199800 0.800200 0.667113 Mg\n0.066972 0.133944 0.831930 Mg\n0.866055 0.933027 0.831930 Mg\n0.066972 0.933028 0.831930 Mg\n0.866480 0.133520 0.832710 Mg\n0.267040 0.133520 0.832710 Mg\n0.866480 0.732960 0.832710 Mg\n0.066774 0.533387 0.833406 Mg\n0.466613 0.533387 0.833406 Mg\n0.466613 0.933226 0.833406 Mg\n0.666667 0.333333 0.833631 Mg\n0.266431 0.532861 0.833646 Mg\n0.266431 0.733569 0.833646 Mg\n0.467139 0.733569 0.833646 Mg\n0.466693 0.133280 0.833652 Mg\n0.666587 0.133280 0.833652 Mg\n0.866720 0.333413 0.833652 Mg\n0.466693 0.333413 0.833652 Mg\n0.666587 0.533307 0.833652 Mg\n0.866720 0.533307 0.833652 Mg\n0.266301 0.332496 0.833694 Mg\n0.066196 0.332497 0.833694 Mg\n0.667503 0.733699 0.833694 Mg\n0.066196 0.733699 0.833694 Mg\n0.266301 0.933804 0.833694 Mg\n0.667503 0.933804 0.833694 Mg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 1.8098244146985876,
"density_atomic": 0.04367520899856931,
"volume": 3434.442637811158,
"volume_molar": 13.78846466469633,
"formula_full": "Mg149 Sb1",
"formula_reduced": "Mg149Sb",
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"formation_energy": -0.0025410637388921,
"spacegroup": 187
},
{
"id": "oqmd-31771",
"created_at": "2022-09-04T14:49:01.726979Z",
"updated_at": "2022-09-04T14:49:01.727009Z",
"structure_string": "Mg149 Rh1\n1.0\n13.770087 -7.950168 0.000000\n0.000000 15.900335 0.000000\n0.000000 0.000000 15.547298\nMg Rh\n149 1\ndirect\n0.602261 0.000289 0.000000 Mg\n0.398027 0.000289 0.000000 Mg\n0.810988 0.001783 0.000000 Mg\n0.190795 0.001783 0.000000 Mg\n0.998217 0.189012 0.000000 Mg\n0.190795 0.189012 0.000000 Mg\n0.397941 0.198970 0.000000 Mg\n0.801030 0.198971 0.000000 Mg\n0.599838 0.199676 0.000000 Mg\n0.198283 0.396565 0.000000 Mg\n0.398027 0.397738 0.000000 Mg\n0.999711 0.397739 0.000000 Mg\n0.599838 0.400162 0.000000 Mg\n0.800325 0.400162 0.000000 Mg\n0.400210 0.599789 0.000000 Mg\n0.199579 0.599790 0.000000 Mg\n0.999711 0.601972 0.000000 Mg\n0.602261 0.601973 0.000000 Mg\n0.801030 0.602059 0.000000 Mg\n0.400210 0.800421 0.000000 Mg\n0.198283 0.801718 0.000000 Mg\n0.603436 0.801718 0.000000 Mg\n0.998217 0.809205 0.000000 Mg\n0.810988 0.809205 0.000000 Mg\n0.063288 0.126576 0.157828 Mg\n0.063288 0.936712 0.157828 Mg\n0.873424 0.936712 0.157828 Mg\n0.065818 0.330618 0.165370 Mg\n0.264800 0.330619 0.165370 Mg\n0.065818 0.735200 0.165370 Mg\n0.669381 0.735200 0.165370 Mg\n0.669381 0.934182 0.165370 Mg\n0.264800 0.934182 0.165370 Mg\n0.466704 0.533296 0.165924 Mg\n0.066593 0.533297 0.165924 Mg\n0.466704 0.933407 0.165924 Mg\n0.266265 0.532530 0.166076 Mg\n0.467471 0.733735 0.166076 Mg\n0.266265 0.733735 0.166076 Mg\n0.666511 0.133669 0.166690 Mg\n0.467158 0.133669 0.166690 Mg\n0.467158 0.333489 0.166690 Mg\n0.866331 0.333489 0.166690 Mg\n0.666511 0.532842 0.166690 Mg\n0.866331 0.532842 0.166690 Mg\n0.666667 0.333333 0.166812 Mg\n0.268661 0.134330 0.167302 Mg\n0.865670 0.134331 0.167302 Mg\n0.865670 0.731339 0.167302 Mg\n0.000000 0.000000 0.331314 Mg\n0.000394 0.199004 0.331349 Mg\n0.198609 0.199004 0.331349 Mg\n0.000394 0.801390 0.331349 Mg\n0.800996 0.801390 0.331349 Mg\n0.198609 0.999605 0.331349 Mg\n0.800996 0.999606 0.331349 Mg\n0.000215 0.399627 0.332683 Mg\n0.399413 0.399627 0.332683 Mg\n0.600373 0.600588 0.332683 Mg\n0.000215 0.600588 0.332683 Mg\n0.600373 0.999785 0.332683 Mg\n0.399413 0.999785 0.332683 Mg\n0.199861 0.399723 0.332816 Mg\n0.199861 0.800139 0.332816 Mg\n0.600277 0.800139 0.332816 Mg\n0.200084 0.600042 0.333138 Mg\n0.399958 0.600042 0.333138 Mg\n0.399958 0.799916 0.333138 Mg\n0.599931 0.199861 0.333511 Mg\n0.800139 0.400069 0.333511 Mg\n0.599931 0.400070 0.333511 Mg\n0.399891 0.199946 0.333621 Mg\n0.800054 0.199946 0.333621 Mg\n0.800054 0.600109 0.333621 Mg\n0.066445 0.132889 0.500000 Mg\n0.265979 0.132989 0.500000 Mg\n0.867010 0.132990 0.500000 Mg\n0.466553 0.133168 0.500000 Mg\n0.666615 0.133168 0.500000 Mg\n0.066347 0.332673 0.500000 Mg\n0.266327 0.332673 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466553 0.333385 0.500000 Mg\n0.866833 0.333385 0.500000 Mg\n0.266497 0.532993 0.500000 Mg\n0.466720 0.533280 0.500000 Mg\n0.066559 0.533280 0.500000 Mg\n0.666615 0.533447 0.500000 Mg\n0.866833 0.533448 0.500000 Mg\n0.266497 0.733503 0.500000 Mg\n0.467006 0.733503 0.500000 Mg\n0.667327 0.733673 0.500000 Mg\n0.066347 0.733674 0.500000 Mg\n0.867010 0.734021 0.500000 Mg\n0.466720 0.933440 0.500000 Mg\n0.066445 0.933556 0.500000 Mg\n0.867111 0.933556 0.500000 Mg\n0.266327 0.933653 0.500000 Mg\n0.667327 0.933653 0.500000 Mg\n0.399891 0.199946 0.666379 Mg\n0.800054 0.199946 0.666379 Mg\n0.800054 0.600109 0.666379 Mg\n0.599931 0.199861 0.666489 Mg\n0.800139 0.400069 0.666489 Mg\n0.599931 0.400070 0.666489 Mg\n0.200084 0.600042 0.666862 Mg\n0.399958 0.600042 0.666862 Mg\n0.399958 0.799916 0.666862 Mg\n0.199861 0.399723 0.667184 Mg\n0.199861 0.800139 0.667184 Mg\n0.600277 0.800139 0.667184 Mg\n0.000215 0.399627 0.667317 Mg\n0.399413 0.399627 0.667317 Mg\n0.600373 0.600588 0.667317 Mg\n0.000215 0.600588 0.667317 Mg\n0.600373 0.999785 0.667317 Mg\n0.399413 0.999785 0.667317 Mg\n0.000394 0.199004 0.668651 Mg\n0.198609 0.199004 0.668651 Mg\n0.000394 0.801390 0.668651 Mg\n0.800996 0.801390 0.668651 Mg\n0.198609 0.999605 0.668651 Mg\n0.800996 0.999606 0.668651 Mg\n0.000000 0.000000 0.668686 Mg\n0.268661 0.134330 0.832698 Mg\n0.865670 0.134331 0.832698 Mg\n0.865670 0.731339 0.832698 Mg\n0.666667 0.333333 0.833187 Mg\n0.666511 0.133669 0.833309 Mg\n0.467158 0.133669 0.833309 Mg\n0.467158 0.333489 0.833309 Mg\n0.866331 0.333489 0.833309 Mg\n0.666511 0.532842 0.833309 Mg\n0.866331 0.532842 0.833309 Mg\n0.266265 0.532530 0.833924 Mg\n0.467471 0.733735 0.833924 Mg\n0.266265 0.733735 0.833924 Mg\n0.466704 0.533296 0.834076 Mg\n0.066593 0.533297 0.834076 Mg\n0.466704 0.933407 0.834076 Mg\n0.065818 0.330618 0.834631 Mg\n0.264800 0.330619 0.834631 Mg\n0.065818 0.735200 0.834631 Mg\n0.669381 0.735200 0.834631 Mg\n0.669381 0.934182 0.834631 Mg\n0.264800 0.934182 0.834631 Mg\n0.063288 0.126576 0.842172 Mg\n0.063288 0.936712 0.842172 Mg\n0.873424 0.936712 0.842172 Mg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh",
"density": 1.8167775799075567,
"density_atomic": 0.04406495972759435,
"volume": 3404.0652919527583,
"volume_molar": 13.666506896246672,
"formula_full": "Mg149 Rh1",
"formula_reduced": "Mg149Rh",
"formula_anonymous": "AB149",
"formation_energy": -0.0065548059055589,
"spacegroup": 187
},
{
"id": "oqmd-31731",
"created_at": "2022-09-04T14:49:01.111586Z",
"updated_at": "2022-09-04T14:49:01.111616Z",
"structure_string": "Dy1 Mg149\n1.0\n13.819234 -7.978542 0.000000\n0.000000 15.957084 0.000000\n0.000000 0.000000 15.622718\nDy Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Dy\n0.599938 0.199876 0.000000 Mg\n0.799541 0.200459 0.000000 Mg\n0.400918 0.200459 0.000000 Mg\n0.002916 0.204104 0.000000 Mg\n0.201188 0.204104 0.000000 Mg\n0.000133 0.399893 0.000000 Mg\n0.399760 0.399893 0.000000 Mg\n0.800124 0.400062 0.000000 Mg\n0.599938 0.400062 0.000000 Mg\n0.201478 0.402956 0.000000 Mg\n0.799541 0.599082 0.000000 Mg\n0.200434 0.600217 0.000000 Mg\n0.399783 0.600217 0.000000 Mg\n0.000133 0.600240 0.000000 Mg\n0.600106 0.600240 0.000000 Mg\n0.201478 0.798522 0.000000 Mg\n0.597044 0.798522 0.000000 Mg\n0.002916 0.798812 0.000000 Mg\n0.795896 0.798812 0.000000 Mg\n0.399783 0.799566 0.000000 Mg\n0.795896 0.997084 0.000000 Mg\n0.201188 0.997084 0.000000 Mg\n0.399760 0.999866 0.000000 Mg\n0.600106 0.999867 0.000000 Mg\n0.263573 0.131787 0.164718 Mg\n0.868213 0.131787 0.164718 Mg\n0.868213 0.736427 0.164718 Mg\n0.666666 0.333333 0.166326 Mg\n0.465498 0.132819 0.166518 Mg\n0.667320 0.132819 0.166518 Mg\n0.465498 0.332680 0.166518 Mg\n0.867181 0.332680 0.166518 Mg\n0.667320 0.534501 0.166518 Mg\n0.867181 0.534501 0.166518 Mg\n0.066597 0.533298 0.167262 Mg\n0.466701 0.533299 0.167262 Mg\n0.466701 0.933403 0.167262 Mg\n0.267147 0.534292 0.167459 Mg\n0.465707 0.732854 0.167459 Mg\n0.267147 0.732854 0.167459 Mg\n0.267767 0.335630 0.167633 Mg\n0.067863 0.335630 0.167633 Mg\n0.067863 0.732233 0.167633 Mg\n0.664370 0.732233 0.167633 Mg\n0.267767 0.932136 0.167633 Mg\n0.664370 0.932137 0.167633 Mg\n0.067525 0.135050 0.168884 Mg\n0.864950 0.932475 0.168884 Mg\n0.067525 0.932475 0.168884 Mg\n0.399887 0.199943 0.332902 Mg\n0.800057 0.199944 0.332902 Mg\n0.800057 0.600113 0.332902 Mg\n0.600079 0.200158 0.332948 Mg\n0.600079 0.399921 0.332948 Mg\n0.799842 0.399921 0.332948 Mg\n0.000000 0.200421 0.333389 Mg\n0.200405 0.200421 0.333389 Mg\n0.000000 0.799594 0.333389 Mg\n0.799579 0.799594 0.333389 Mg\n0.200405 0.000000 0.333389 Mg\n0.799579 0.000000 0.333389 Mg\n0.400430 0.000216 0.333743 Mg\n0.599787 0.000216 0.333743 Mg\n0.999783 0.400214 0.333743 Mg\n0.400430 0.400214 0.333743 Mg\n0.999783 0.599570 0.333743 Mg\n0.599787 0.599570 0.333743 Mg\n0.399979 0.600020 0.333879 Mg\n0.200041 0.600020 0.333879 Mg\n0.399979 0.799959 0.333879 Mg\n0.200307 0.400614 0.334140 Mg\n0.200307 0.799692 0.334140 Mg\n0.599386 0.799693 0.334140 Mg\n0.000000 0.000000 0.334444 Mg\n0.267005 0.133503 0.500000 Mg\n0.866497 0.133503 0.500000 Mg\n0.066800 0.133599 0.500000 Mg\n0.467119 0.134176 0.500000 Mg\n0.667058 0.134177 0.500000 Mg\n0.467119 0.332942 0.500000 Mg\n0.865824 0.332942 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066748 0.333661 0.500000 Mg\n0.266913 0.333661 0.500000 Mg\n0.667058 0.532881 0.500000 Mg\n0.865824 0.532881 0.500000 Mg\n0.066318 0.533159 0.500000 Mg\n0.466841 0.533159 0.500000 Mg\n0.266762 0.533523 0.500000 Mg\n0.866497 0.732995 0.500000 Mg\n0.066748 0.733087 0.500000 Mg\n0.666339 0.733087 0.500000 Mg\n0.466477 0.733238 0.500000 Mg\n0.266762 0.733238 0.500000 Mg\n0.066800 0.933200 0.500000 Mg\n0.866401 0.933200 0.500000 Mg\n0.266913 0.933252 0.500000 Mg\n0.666339 0.933252 0.500000 Mg\n0.466841 0.933683 0.500000 Mg\n0.000000 0.000000 0.665556 Mg\n0.200307 0.400614 0.665860 Mg\n0.200307 0.799692 0.665860 Mg\n0.599386 0.799693 0.665860 Mg\n0.399979 0.600020 0.666121 Mg\n0.200041 0.600020 0.666121 Mg\n0.399979 0.799959 0.666121 Mg\n0.400430 0.000216 0.666257 Mg\n0.599787 0.000216 0.666257 Mg\n0.999783 0.400214 0.666257 Mg\n0.400430 0.400214 0.666257 Mg\n0.999783 0.599570 0.666257 Mg\n0.599787 0.599570 0.666257 Mg\n0.000000 0.200421 0.666611 Mg\n0.200405 0.200421 0.666611 Mg\n0.000000 0.799594 0.666611 Mg\n0.799579 0.799594 0.666611 Mg\n0.200405 0.000000 0.666611 Mg\n0.799579 0.000000 0.666611 Mg\n0.600079 0.200158 0.667052 Mg\n0.600079 0.399921 0.667052 Mg\n0.799842 0.399921 0.667052 Mg\n0.399887 0.199943 0.667098 Mg\n0.800057 0.199944 0.667098 Mg\n0.800057 0.600113 0.667098 Mg\n0.067525 0.135050 0.831116 Mg\n0.864950 0.932475 0.831116 Mg\n0.067525 0.932475 0.831116 Mg\n0.267767 0.335630 0.832367 Mg\n0.067863 0.335630 0.832367 Mg\n0.067863 0.732233 0.832367 Mg\n0.664370 0.732233 0.832367 Mg\n0.267767 0.932136 0.832367 Mg\n0.664370 0.932137 0.832367 Mg\n0.267147 0.534292 0.832541 Mg\n0.465707 0.732854 0.832541 Mg\n0.267147 0.732854 0.832541 Mg\n0.066597 0.533298 0.832738 Mg\n0.466701 0.533299 0.832738 Mg\n0.466701 0.933403 0.832738 Mg\n0.465498 0.132819 0.833482 Mg\n0.667320 0.132819 0.833482 Mg\n0.465498 0.332680 0.833482 Mg\n0.867181 0.332680 0.833482 Mg\n0.667320 0.534501 0.833482 Mg\n0.867181 0.534501 0.833482 Mg\n0.666666 0.333333 0.833673 Mg\n0.263573 0.131787 0.835282 Mg\n0.868213 0.131787 0.835282 Mg\n0.868213 0.736427 0.835282 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Dy",
"Mg"
],
"chemical_system": "Dy-Mg",
"density": 1.8238949345959206,
"density_atomic": 0.04354087611494106,
"volume": 3445.0386254062414,
"volume_molar": 13.831005017222198,
"formula_full": "Dy1 Mg149",
"formula_reduced": "DyMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0001988421166633,
"spacegroup": 187
},
{
"id": "oqmd-31783",
"created_at": "2022-09-04T14:49:01.215882Z",
"updated_at": "2022-09-04T14:49:01.215909Z",
"structure_string": "Mg149 Tc1\n1.0\n13.778317 -7.954919 0.000000\n0.000000 15.909838 0.000000\n0.000000 0.000000 15.528425\nMg Tc\n149 1\ndirect\n0.397246 0.000501 0.000000 Mg\n0.603255 0.000501 0.000000 Mg\n0.189828 0.001486 0.000000 Mg\n0.811659 0.001486 0.000000 Mg\n0.189828 0.188342 0.000000 Mg\n0.998514 0.188342 0.000000 Mg\n0.398324 0.199162 0.000000 Mg\n0.800838 0.199162 0.000000 Mg\n0.599676 0.199353 0.000000 Mg\n0.397246 0.396745 0.000000 Mg\n0.999499 0.396745 0.000000 Mg\n0.198470 0.396939 0.000000 Mg\n0.599676 0.400324 0.000000 Mg\n0.800648 0.400324 0.000000 Mg\n0.400282 0.599718 0.000000 Mg\n0.199437 0.599718 0.000000 Mg\n0.800838 0.601676 0.000000 Mg\n0.999499 0.602754 0.000000 Mg\n0.603255 0.602754 0.000000 Mg\n0.400282 0.800564 0.000000 Mg\n0.603061 0.801530 0.000000 Mg\n0.198470 0.801531 0.000000 Mg\n0.998514 0.810172 0.000000 Mg\n0.811659 0.810172 0.000000 Mg\n0.063058 0.126117 0.157420 Mg\n0.873882 0.936941 0.157420 Mg\n0.063058 0.936941 0.157420 Mg\n0.264886 0.331040 0.165592 Mg\n0.066153 0.331040 0.165592 Mg\n0.668960 0.735113 0.165592 Mg\n0.066153 0.735113 0.165592 Mg\n0.264886 0.933846 0.165592 Mg\n0.668960 0.933846 0.165592 Mg\n0.466690 0.533310 0.165972 Mg\n0.066621 0.533310 0.165972 Mg\n0.466690 0.933379 0.165972 Mg\n0.266421 0.532841 0.166468 Mg\n0.266421 0.733579 0.166468 Mg\n0.467159 0.733579 0.166468 Mg\n0.467005 0.133590 0.166793 Mg\n0.666586 0.133591 0.166793 Mg\n0.467005 0.333414 0.166793 Mg\n0.866410 0.333414 0.166793 Mg\n0.666586 0.532995 0.166793 Mg\n0.866410 0.532995 0.166793 Mg\n0.666666 0.333333 0.166898 Mg\n0.268674 0.134337 0.167081 Mg\n0.865663 0.134337 0.167081 Mg\n0.865663 0.731326 0.167081 Mg\n0.000427 0.198894 0.330734 Mg\n0.198467 0.198894 0.330734 Mg\n0.000427 0.801533 0.330734 Mg\n0.801106 0.801533 0.330734 Mg\n0.801106 0.999572 0.330734 Mg\n0.198467 0.999573 0.330734 Mg\n0.000000 0.000000 0.332074 Mg\n0.399432 0.399541 0.332774 Mg\n0.000110 0.399542 0.332774 Mg\n0.600459 0.600568 0.332774 Mg\n0.000110 0.600568 0.332774 Mg\n0.399432 0.999891 0.332774 Mg\n0.600459 0.999891 0.332774 Mg\n0.200012 0.400024 0.333155 Mg\n0.200012 0.799988 0.333155 Mg\n0.599976 0.799988 0.333155 Mg\n0.599943 0.199885 0.333562 Mg\n0.800115 0.400058 0.333562 Mg\n0.599943 0.400058 0.333562 Mg\n0.399966 0.600034 0.333590 Mg\n0.200067 0.600034 0.333590 Mg\n0.399966 0.799933 0.333590 Mg\n0.799985 0.200014 0.333714 Mg\n0.400029 0.200015 0.333714 Mg\n0.799985 0.599971 0.333714 Mg\n0.265872 0.132936 0.500000 Mg\n0.867064 0.132936 0.500000 Mg\n0.066500 0.133000 0.500000 Mg\n0.466824 0.133604 0.500000 Mg\n0.666780 0.133604 0.500000 Mg\n0.266360 0.332651 0.500000 Mg\n0.066292 0.332652 0.500000 Mg\n0.866396 0.333220 0.500000 Mg\n0.466824 0.333220 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266490 0.532980 0.500000 Mg\n0.066312 0.533156 0.500000 Mg\n0.466844 0.533156 0.500000 Mg\n0.666780 0.533176 0.500000 Mg\n0.866396 0.533176 0.500000 Mg\n0.266490 0.733510 0.500000 Mg\n0.467019 0.733510 0.500000 Mg\n0.667349 0.733640 0.500000 Mg\n0.066292 0.733640 0.500000 Mg\n0.867064 0.734128 0.500000 Mg\n0.066500 0.933499 0.500000 Mg\n0.866999 0.933500 0.500000 Mg\n0.466844 0.933688 0.500000 Mg\n0.266360 0.933708 0.500000 Mg\n0.667349 0.933708 0.500000 Mg\n0.799985 0.200014 0.666286 Mg\n0.400029 0.200015 0.666286 Mg\n0.799985 0.599971 0.666286 Mg\n0.399966 0.600034 0.666410 Mg\n0.200067 0.600034 0.666410 Mg\n0.399966 0.799933 0.666410 Mg\n0.599943 0.199885 0.666438 Mg\n0.800115 0.400058 0.666438 Mg\n0.599943 0.400058 0.666438 Mg\n0.200012 0.400024 0.666844 Mg\n0.200012 0.799988 0.666844 Mg\n0.599976 0.799988 0.666844 Mg\n0.399432 0.399541 0.667226 Mg\n0.000110 0.399542 0.667226 Mg\n0.600459 0.600568 0.667226 Mg\n0.000110 0.600568 0.667226 Mg\n0.399432 0.999891 0.667226 Mg\n0.600459 0.999891 0.667226 Mg\n0.000000 0.000000 0.667927 Mg\n0.000427 0.198894 0.669266 Mg\n0.198467 0.198894 0.669266 Mg\n0.000427 0.801533 0.669266 Mg\n0.801106 0.801533 0.669266 Mg\n0.801106 0.999572 0.669266 Mg\n0.198467 0.999573 0.669266 Mg\n0.268674 0.134337 0.832918 Mg\n0.865663 0.134337 0.832918 Mg\n0.865663 0.731326 0.832918 Mg\n0.666666 0.333333 0.833103 Mg\n0.467005 0.133590 0.833207 Mg\n0.666586 0.133591 0.833207 Mg\n0.467005 0.333414 0.833207 Mg\n0.866410 0.333414 0.833207 Mg\n0.666586 0.532995 0.833207 Mg\n0.866410 0.532995 0.833207 Mg\n0.266421 0.532841 0.833533 Mg\n0.266421 0.733579 0.833533 Mg\n0.467159 0.733579 0.833533 Mg\n0.466690 0.533310 0.834029 Mg\n0.066621 0.533310 0.834029 Mg\n0.466690 0.933379 0.834029 Mg\n0.264886 0.331040 0.834407 Mg\n0.066153 0.331040 0.834407 Mg\n0.668960 0.735113 0.834407 Mg\n0.066153 0.735113 0.834407 Mg\n0.264886 0.933846 0.834407 Mg\n0.668960 0.933846 0.834407 Mg\n0.063058 0.126117 0.842580 Mg\n0.873882 0.936941 0.842580 Mg\n0.063058 0.936941 0.842580 Mg\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Tc"
],
"chemical_system": "Mg-Tc",
"density": 1.8144203151848552,
"density_atomic": 0.04406582651291844,
"volume": 3403.9983331760645,
"volume_molar": 13.666238072794425,
"formula_full": "Mg149 Tc1",
"formula_reduced": "Mg149Tc",
"formula_anonymous": "AB149",
"formation_energy": 0.0052066353944411,
"spacegroup": 187
},
{
"id": "oqmd-31790",
"created_at": "2022-09-04T14:49:01.937944Z",
"updated_at": "2022-09-04T14:49:01.937969Z",
"structure_string": "Mg149 V1\n1.0\n13.789439 -7.961341 0.000000\n0.000000 15.922681 0.000000\n0.000000 0.000000 15.587030\nMg V\n149 1\ndirect\n0.601626 0.000211 0.000000 Mg\n0.398586 0.000212 0.000000 Mg\n0.805098 0.000281 0.000000 Mg\n0.195184 0.000282 0.000000 Mg\n0.195184 0.194902 0.000000 Mg\n0.999719 0.194903 0.000000 Mg\n0.599816 0.199632 0.000000 Mg\n0.800222 0.199778 0.000000 Mg\n0.399557 0.199778 0.000000 Mg\n0.398586 0.398375 0.000000 Mg\n0.999789 0.398375 0.000000 Mg\n0.199506 0.399012 0.000000 Mg\n0.599816 0.400183 0.000000 Mg\n0.800368 0.400184 0.000000 Mg\n0.400076 0.599924 0.000000 Mg\n0.199849 0.599924 0.000000 Mg\n0.800222 0.600444 0.000000 Mg\n0.601626 0.601414 0.000000 Mg\n0.999789 0.601415 0.000000 Mg\n0.400076 0.800152 0.000000 Mg\n0.600987 0.800494 0.000000 Mg\n0.199506 0.800494 0.000000 Mg\n0.805098 0.804816 0.000000 Mg\n0.999719 0.804816 0.000000 Mg\n0.064973 0.129946 0.162330 Mg\n0.064973 0.935027 0.162330 Mg\n0.870054 0.935027 0.162330 Mg\n0.266019 0.332633 0.166297 Mg\n0.066614 0.332633 0.166297 Mg\n0.667367 0.733981 0.166297 Mg\n0.066614 0.733982 0.166297 Mg\n0.266019 0.933386 0.166297 Mg\n0.667367 0.933386 0.166297 Mg\n0.066612 0.533306 0.166361 Mg\n0.466694 0.533306 0.166361 Mg\n0.466694 0.933388 0.166361 Mg\n0.267138 0.133569 0.166514 Mg\n0.866431 0.133569 0.166514 Mg\n0.866431 0.732862 0.166514 Mg\n0.266611 0.533221 0.166617 Mg\n0.466779 0.733389 0.166617 Mg\n0.266611 0.733390 0.166617 Mg\n0.666667 0.333333 0.166657 Mg\n0.466634 0.133392 0.166719 Mg\n0.666759 0.133392 0.166719 Mg\n0.466634 0.333242 0.166719 Mg\n0.866608 0.333242 0.166719 Mg\n0.866608 0.533366 0.166719 Mg\n0.666759 0.533366 0.166719 Mg\n0.199240 0.199465 0.332016 Mg\n0.000226 0.199466 0.332016 Mg\n0.000226 0.800760 0.332016 Mg\n0.800535 0.800760 0.332016 Mg\n0.800535 0.999775 0.332016 Mg\n0.199240 0.999775 0.332016 Mg\n0.000000 0.000000 0.332877 Mg\n0.000000 0.399802 0.333067 Mg\n0.399749 0.399802 0.333067 Mg\n0.000000 0.600252 0.333067 Mg\n0.600198 0.600252 0.333067 Mg\n0.600198 0.000000 0.333067 Mg\n0.399749 0.000000 0.333067 Mg\n0.200039 0.400078 0.333344 Mg\n0.599921 0.799961 0.333344 Mg\n0.200039 0.799961 0.333344 Mg\n0.599960 0.199920 0.333369 Mg\n0.800080 0.400040 0.333369 Mg\n0.599960 0.400040 0.333369 Mg\n0.200032 0.600016 0.333473 Mg\n0.399984 0.600016 0.333473 Mg\n0.399984 0.799968 0.333473 Mg\n0.800046 0.199953 0.333474 Mg\n0.399907 0.199954 0.333474 Mg\n0.800046 0.600093 0.333474 Mg\n0.266206 0.133103 0.500000 Mg\n0.866897 0.133103 0.500000 Mg\n0.066554 0.133108 0.500000 Mg\n0.466764 0.133559 0.500000 Mg\n0.666796 0.133560 0.500000 Mg\n0.066423 0.332900 0.500000 Mg\n0.266478 0.332901 0.500000 Mg\n0.466764 0.333204 0.500000 Mg\n0.866441 0.333205 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266561 0.533121 0.500000 Mg\n0.466810 0.533190 0.500000 Mg\n0.066381 0.533190 0.500000 Mg\n0.666796 0.533236 0.500000 Mg\n0.866441 0.533236 0.500000 Mg\n0.466878 0.733439 0.500000 Mg\n0.266561 0.733439 0.500000 Mg\n0.667100 0.733522 0.500000 Mg\n0.066423 0.733522 0.500000 Mg\n0.866897 0.733795 0.500000 Mg\n0.066554 0.933446 0.500000 Mg\n0.866892 0.933446 0.500000 Mg\n0.266478 0.933577 0.500000 Mg\n0.667100 0.933578 0.500000 Mg\n0.466810 0.933620 0.500000 Mg\n0.800046 0.199953 0.666526 Mg\n0.399907 0.199954 0.666526 Mg\n0.800046 0.600093 0.666526 Mg\n0.200032 0.600016 0.666527 Mg\n0.399984 0.600016 0.666527 Mg\n0.399984 0.799968 0.666527 Mg\n0.599960 0.199920 0.666631 Mg\n0.800080 0.400040 0.666631 Mg\n0.599960 0.400040 0.666631 Mg\n0.200039 0.400078 0.666656 Mg\n0.599921 0.799961 0.666656 Mg\n0.200039 0.799961 0.666656 Mg\n0.000000 0.399802 0.666933 Mg\n0.399749 0.399802 0.666933 Mg\n0.000000 0.600252 0.666933 Mg\n0.600198 0.600252 0.666933 Mg\n0.600198 0.000000 0.666933 Mg\n0.399749 0.000000 0.666933 Mg\n0.000000 0.000000 0.667123 Mg\n0.199240 0.199465 0.667984 Mg\n0.000226 0.199466 0.667984 Mg\n0.000226 0.800760 0.667984 Mg\n0.800535 0.800760 0.667984 Mg\n0.800535 0.999775 0.667984 Mg\n0.199240 0.999775 0.667984 Mg\n0.466634 0.133392 0.833281 Mg\n0.666759 0.133392 0.833281 Mg\n0.466634 0.333242 0.833281 Mg\n0.866608 0.333242 0.833281 Mg\n0.866608 0.533366 0.833281 Mg\n0.666759 0.533366 0.833281 Mg\n0.666667 0.333333 0.833343 Mg\n0.266611 0.533221 0.833383 Mg\n0.466779 0.733389 0.833383 Mg\n0.266611 0.733390 0.833383 Mg\n0.267138 0.133569 0.833486 Mg\n0.866431 0.133569 0.833486 Mg\n0.866431 0.732862 0.833486 Mg\n0.066612 0.533306 0.833639 Mg\n0.466694 0.533306 0.833639 Mg\n0.466694 0.933388 0.833639 Mg\n0.266019 0.332633 0.833703 Mg\n0.066614 0.332633 0.833703 Mg\n0.667367 0.733981 0.833703 Mg\n0.066614 0.733982 0.833703 Mg\n0.266019 0.933386 0.833703 Mg\n0.667367 0.933386 0.833703 Mg\n0.064973 0.129946 0.837670 Mg\n0.064973 0.935027 0.837670 Mg\n0.870054 0.935027 0.837670 Mg\n0.000000 0.000000 0.000000 V\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"V"
],
"chemical_system": "Mg-V",
"density": 1.781850716425658,
"density_atomic": 0.04382935659684952,
"volume": 3422.3637225553543,
"volume_molar": 13.739970712763952,
"formula_full": "Mg149 V1",
"formula_reduced": "Mg149V",
"formula_anonymous": "AB149",
"formation_energy": 0.0075220003611078,
"spacegroup": 187
},
{
"id": "oqmd-31733",
"created_at": "2022-09-04T14:49:02.035451Z",
"updated_at": "2022-09-04T14:49:02.035462Z",
"structure_string": "Eu1 Mg149\n1.0\n13.821064 -7.979599 0.000000\n0.000000 15.959196 0.000000\n0.000000 0.000000 15.660845\nEu Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Eu\n0.600112 0.200225 0.000000 Mg\n0.401310 0.200655 0.000000 Mg\n0.799345 0.200655 0.000000 Mg\n0.204906 0.208173 0.000000 Mg\n0.003267 0.208174 0.000000 Mg\n0.600112 0.399887 0.000000 Mg\n0.799775 0.399887 0.000000 Mg\n0.000309 0.401373 0.000000 Mg\n0.401064 0.401373 0.000000 Mg\n0.201886 0.403772 0.000000 Mg\n0.799345 0.598690 0.000000 Mg\n0.000309 0.598937 0.000000 Mg\n0.598628 0.598937 0.000000 Mg\n0.200757 0.600379 0.000000 Mg\n0.399621 0.600379 0.000000 Mg\n0.791827 0.795094 0.000000 Mg\n0.003267 0.795094 0.000000 Mg\n0.201886 0.798114 0.000000 Mg\n0.596228 0.798114 0.000000 Mg\n0.399621 0.799242 0.000000 Mg\n0.204906 0.996732 0.000000 Mg\n0.791827 0.996733 0.000000 Mg\n0.598628 0.999691 0.000000 Mg\n0.401064 0.999691 0.000000 Mg\n0.868593 0.131407 0.164505 Mg\n0.262813 0.131407 0.164505 Mg\n0.868593 0.737187 0.164505 Mg\n0.666666 0.333333 0.166268 Mg\n0.465488 0.132827 0.166547 Mg\n0.667339 0.132828 0.166547 Mg\n0.465488 0.332661 0.166547 Mg\n0.867173 0.332661 0.166547 Mg\n0.667339 0.534512 0.166547 Mg\n0.867173 0.534512 0.166547 Mg\n0.267168 0.534337 0.167378 Mg\n0.267168 0.732831 0.167378 Mg\n0.465662 0.732831 0.167378 Mg\n0.466680 0.533320 0.167414 Mg\n0.066640 0.533320 0.167414 Mg\n0.466680 0.933359 0.167414 Mg\n0.268300 0.336196 0.167939 Mg\n0.067896 0.336196 0.167939 Mg\n0.067896 0.731700 0.167939 Mg\n0.663804 0.731700 0.167939 Mg\n0.268300 0.932104 0.167939 Mg\n0.663804 0.932104 0.167939 Mg\n0.068964 0.137929 0.172107 Mg\n0.862070 0.931035 0.172107 Mg\n0.068964 0.931035 0.172107 Mg\n0.800099 0.199900 0.332758 Mg\n0.399801 0.199901 0.332758 Mg\n0.800099 0.600199 0.332758 Mg\n0.600071 0.200143 0.332971 Mg\n0.600071 0.399928 0.332971 Mg\n0.799857 0.399929 0.332971 Mg\n0.200022 0.600011 0.333757 Mg\n0.399989 0.600011 0.333757 Mg\n0.399989 0.799979 0.333757 Mg\n0.400584 0.000202 0.333833 Mg\n0.599618 0.000203 0.333833 Mg\n0.400584 0.400382 0.333833 Mg\n0.999798 0.400382 0.333833 Mg\n0.599618 0.599416 0.333833 Mg\n0.999798 0.599416 0.333833 Mg\n0.200245 0.400490 0.334087 Mg\n0.200245 0.799754 0.334087 Mg\n0.599509 0.799755 0.334087 Mg\n0.000000 0.000000 0.334232 Mg\n0.201087 0.000254 0.334391 Mg\n0.799167 0.000255 0.334391 Mg\n0.201087 0.200833 0.334391 Mg\n0.999746 0.200833 0.334391 Mg\n0.999746 0.798912 0.334391 Mg\n0.799167 0.798913 0.334391 Mg\n0.866437 0.133563 0.500000 Mg\n0.267126 0.133563 0.500000 Mg\n0.066787 0.133575 0.500000 Mg\n0.666973 0.134049 0.500000 Mg\n0.467076 0.134049 0.500000 Mg\n0.865951 0.333027 0.500000 Mg\n0.467076 0.333027 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066888 0.333839 0.500000 Mg\n0.266951 0.333839 0.500000 Mg\n0.666973 0.532924 0.500000 Mg\n0.865951 0.532924 0.500000 Mg\n0.466730 0.533269 0.500000 Mg\n0.066539 0.533270 0.500000 Mg\n0.266828 0.533655 0.500000 Mg\n0.866437 0.732874 0.500000 Mg\n0.066888 0.733049 0.500000 Mg\n0.666161 0.733049 0.500000 Mg\n0.466345 0.733173 0.500000 Mg\n0.266828 0.733173 0.500000 Mg\n0.266951 0.933112 0.500000 Mg\n0.666161 0.933112 0.500000 Mg\n0.066787 0.933212 0.500000 Mg\n0.866425 0.933213 0.500000 Mg\n0.466730 0.933461 0.500000 Mg\n0.201087 0.000254 0.665609 Mg\n0.799167 0.000255 0.665609 Mg\n0.201087 0.200833 0.665609 Mg\n0.999746 0.200833 0.665609 Mg\n0.999746 0.798912 0.665609 Mg\n0.799167 0.798913 0.665609 Mg\n0.000000 0.000000 0.665768 Mg\n0.200245 0.400490 0.665914 Mg\n0.200245 0.799754 0.665914 Mg\n0.599509 0.799755 0.665914 Mg\n0.400584 0.000202 0.666168 Mg\n0.599618 0.000203 0.666168 Mg\n0.400584 0.400382 0.666168 Mg\n0.999798 0.400382 0.666168 Mg\n0.599618 0.599416 0.666168 Mg\n0.999798 0.599416 0.666168 Mg\n0.200022 0.600011 0.666243 Mg\n0.399989 0.600011 0.666243 Mg\n0.399989 0.799979 0.666243 Mg\n0.600071 0.200143 0.667029 Mg\n0.600071 0.399928 0.667029 Mg\n0.799857 0.399929 0.667029 Mg\n0.800099 0.199900 0.667242 Mg\n0.399801 0.199901 0.667242 Mg\n0.800099 0.600199 0.667242 Mg\n0.068964 0.137929 0.827893 Mg\n0.862070 0.931035 0.827893 Mg\n0.068964 0.931035 0.827893 Mg\n0.268300 0.336196 0.832061 Mg\n0.067896 0.336196 0.832061 Mg\n0.067896 0.731700 0.832061 Mg\n0.663804 0.731700 0.832061 Mg\n0.268300 0.932104 0.832061 Mg\n0.663804 0.932104 0.832061 Mg\n0.466680 0.533320 0.832587 Mg\n0.066640 0.533320 0.832587 Mg\n0.466680 0.933359 0.832587 Mg\n0.267168 0.534337 0.832622 Mg\n0.267168 0.732831 0.832622 Mg\n0.465662 0.732831 0.832622 Mg\n0.465488 0.132827 0.833453 Mg\n0.667339 0.132828 0.833453 Mg\n0.465488 0.332661 0.833453 Mg\n0.867173 0.332661 0.833453 Mg\n0.667339 0.534512 0.833453 Mg\n0.867173 0.534512 0.833453 Mg\n0.666666 0.333333 0.833732 Mg\n0.868593 0.131407 0.835495 Mg\n0.262813 0.131407 0.835495 Mg\n0.868593 0.737187 0.835495 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Eu",
"Mg"
],
"chemical_system": "Eu-Mg",
"density": 1.8139081857510624,
"density_atomic": 0.04342337561638862,
"volume": 3454.3606495527215,
"volume_molar": 13.868430711607678,
"formula_full": "Eu1 Mg149",
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{
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"updated_at": "2022-09-04T14:49:02.081029Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Cs",
"Mg"
],
"chemical_system": "Cs-Mg",
"density": 1.7956226288325319,
"density_atomic": 0.043203847236484676,
"volume": 3471.913026146625,
"volume_molar": 13.938899299955024,
"formula_full": "Cs1 Mg149",
"formula_reduced": "CsMg149",
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{
"id": "oqmd-31726",
"created_at": "2022-09-04T14:49:01.039022Z",
"updated_at": "2022-09-04T14:49:01.039043Z",
"structure_string": "Mg149 Cl1\n1.0\n13.792360 -7.963026 0.000000\n0.000000 15.926053 0.000000\n0.000000 0.000000 15.622175\nCl Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cl\n0.202648 0.000749 0.000000 Mg\n0.798101 0.000749 0.000000 Mg\n0.799813 0.200187 0.000000 Mg\n0.400375 0.200187 0.000000 Mg\n0.600232 0.200464 0.000000 Mg\n0.999250 0.201898 0.000000 Mg\n0.202648 0.201899 0.000000 Mg\n0.199769 0.399539 0.000000 Mg\n0.600232 0.399768 0.000000 Mg\n0.799536 0.399768 0.000000 Mg\n0.400819 0.401328 0.000000 Mg\n0.000509 0.401328 0.000000 Mg\n0.598672 0.599181 0.000000 Mg\n0.000509 0.599181 0.000000 Mg\n0.799813 0.599626 0.000000 Mg\n0.200549 0.600275 0.000000 Mg\n0.399726 0.600275 0.000000 Mg\n0.999250 0.797352 0.000000 Mg\n0.798101 0.797352 0.000000 Mg\n0.399726 0.799451 0.000000 Mg\n0.199769 0.800231 0.000000 Mg\n0.600461 0.800231 0.000000 Mg\n0.598672 0.999491 0.000000 Mg\n0.400819 0.999491 0.000000 Mg\n0.666667 0.333333 0.166162 Mg\n0.666836 0.133088 0.166273 Mg\n0.466252 0.133088 0.166273 Mg\n0.466252 0.333164 0.166273 Mg\n0.866912 0.333164 0.166273 Mg\n0.866912 0.533748 0.166273 Mg\n0.666836 0.533748 0.166273 Mg\n0.266567 0.533134 0.166472 Mg\n0.266567 0.733433 0.166472 Mg\n0.466866 0.733433 0.166472 Mg\n0.066523 0.333137 0.166569 Mg\n0.266615 0.333138 0.166569 Mg\n0.666862 0.733385 0.166569 Mg\n0.066523 0.733385 0.166569 Mg\n0.666862 0.933477 0.166569 Mg\n0.266615 0.933477 0.166569 Mg\n0.265501 0.132750 0.166742 Mg\n0.867250 0.132751 0.166742 Mg\n0.867250 0.734499 0.166742 Mg\n0.466587 0.533413 0.166988 Mg\n0.066827 0.533414 0.166988 Mg\n0.466587 0.933173 0.166988 Mg\n0.067198 0.134396 0.168487 Mg\n0.865604 0.932802 0.168487 Mg\n0.067198 0.932802 0.168487 Mg\n0.000000 0.000000 0.331605 Mg\n0.399802 0.199901 0.332863 Mg\n0.800099 0.199901 0.332863 Mg\n0.800099 0.600198 0.332863 Mg\n0.600025 0.200050 0.332966 Mg\n0.600025 0.399974 0.332966 Mg\n0.799949 0.399975 0.332966 Mg\n0.199904 0.399808 0.333036 Mg\n0.199904 0.800096 0.333036 Mg\n0.600192 0.800096 0.333036 Mg\n0.399978 0.600022 0.333324 Mg\n0.200045 0.600023 0.333324 Mg\n0.399978 0.799956 0.333324 Mg\n0.400119 0.000000 0.333347 Mg\n0.599933 0.000000 0.333347 Mg\n0.000000 0.400067 0.333347 Mg\n0.400119 0.400067 0.333347 Mg\n0.599933 0.599881 0.333347 Mg\n0.000000 0.599882 0.333347 Mg\n0.000000 0.200349 0.334130 Mg\n0.200286 0.200349 0.334130 Mg\n0.799651 0.799714 0.334130 Mg\n0.000000 0.799715 0.334130 Mg\n0.200286 0.000000 0.334130 Mg\n0.799651 0.000000 0.334130 Mg\n0.066543 0.133085 0.500000 Mg\n0.866546 0.133453 0.500000 Mg\n0.266906 0.133453 0.500000 Mg\n0.666741 0.133627 0.500000 Mg\n0.466886 0.133627 0.500000 Mg\n0.866373 0.333259 0.500000 Mg\n0.466886 0.333259 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066785 0.333446 0.500000 Mg\n0.266661 0.333446 0.500000 Mg\n0.866373 0.533114 0.500000 Mg\n0.666741 0.533114 0.500000 Mg\n0.466620 0.533380 0.500000 Mg\n0.066760 0.533380 0.500000 Mg\n0.266767 0.533533 0.500000 Mg\n0.866546 0.733093 0.500000 Mg\n0.266767 0.733233 0.500000 Mg\n0.466466 0.733233 0.500000 Mg\n0.666554 0.733338 0.500000 Mg\n0.066785 0.733339 0.500000 Mg\n0.266661 0.933215 0.500000 Mg\n0.666554 0.933215 0.500000 Mg\n0.466620 0.933240 0.500000 Mg\n0.066543 0.933457 0.500000 Mg\n0.866915 0.933458 0.500000 Mg\n0.000000 0.200349 0.665870 Mg\n0.200286 0.200349 0.665870 Mg\n0.799651 0.799714 0.665870 Mg\n0.000000 0.799715 0.665870 Mg\n0.200286 0.000000 0.665870 Mg\n0.799651 0.000000 0.665870 Mg\n0.400119 0.000000 0.666653 Mg\n0.599933 0.000000 0.666653 Mg\n0.000000 0.400067 0.666653 Mg\n0.400119 0.400067 0.666653 Mg\n0.599933 0.599881 0.666653 Mg\n0.000000 0.599882 0.666653 Mg\n0.399978 0.600022 0.666676 Mg\n0.200045 0.600023 0.666676 Mg\n0.399978 0.799956 0.666676 Mg\n0.199904 0.399808 0.666963 Mg\n0.199904 0.800096 0.666963 Mg\n0.600192 0.800096 0.666963 Mg\n0.600025 0.200050 0.667035 Mg\n0.600025 0.399974 0.667035 Mg\n0.799949 0.399975 0.667035 Mg\n0.399802 0.199901 0.667137 Mg\n0.800099 0.199901 0.667137 Mg\n0.800099 0.600198 0.667137 Mg\n0.000000 0.000000 0.668395 Mg\n0.067198 0.134396 0.831513 Mg\n0.865604 0.932802 0.831513 Mg\n0.067198 0.932802 0.831513 Mg\n0.466587 0.533413 0.833012 Mg\n0.066827 0.533414 0.833012 Mg\n0.466587 0.933173 0.833012 Mg\n0.265501 0.132750 0.833257 Mg\n0.867250 0.132751 0.833257 Mg\n0.867250 0.734499 0.833257 Mg\n0.066523 0.333137 0.833431 Mg\n0.266615 0.333138 0.833431 Mg\n0.666862 0.733385 0.833431 Mg\n0.066523 0.733385 0.833431 Mg\n0.666862 0.933477 0.833431 Mg\n0.266615 0.933477 0.833431 Mg\n0.266567 0.533134 0.833528 Mg\n0.266567 0.733433 0.833528 Mg\n0.466866 0.733433 0.833528 Mg\n0.666836 0.133088 0.833727 Mg\n0.466252 0.133088 0.833727 Mg\n0.466252 0.333164 0.833727 Mg\n0.866912 0.333164 0.833727 Mg\n0.866912 0.533748 0.833727 Mg\n0.666836 0.533748 0.833727 Mg\n0.666667 0.333333 0.833838 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Cl",
"Mg"
],
"chemical_system": "Cl-Mg",
"density": 1.76959427641786,
"density_atomic": 0.04371223571601441,
"volume": 3431.533472103922,
"volume_molar": 13.776785061107569,
"formula_full": "Mg149 Cl1",
"formula_reduced": "Mg149Cl",
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},
{
"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-31769",
"created_at": "2022-09-04T14:49:00.955879Z",
"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
}
]
}