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{
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{
"id": "oqmd-31774",
"created_at": "2022-09-04T14:49:01.171043Z",
"updated_at": "2022-09-04T14:49:01.171081Z",
"structure_string": "Mg149 Sb1\n1.0\n13.793912 -7.963922 0.000000\n0.000000 15.927846 0.000000\n0.000000 0.000000 15.631900\nMg Sb\n149 1\ndirect\n0.799370 0.001216 0.000000 Mg\n0.201846 0.001216 0.000000 Mg\n0.799996 0.200004 0.000000 Mg\n0.400008 0.200004 0.000000 Mg\n0.600136 0.200273 0.000000 Mg\n0.998784 0.200630 0.000000 Mg\n0.201846 0.200630 0.000000 Mg\n0.199343 0.398686 0.000000 Mg\n0.600136 0.399863 0.000000 Mg\n0.799727 0.399863 0.000000 Mg\n0.000254 0.400895 0.000000 Mg\n0.400641 0.400896 0.000000 Mg\n0.000254 0.599359 0.000000 Mg\n0.599104 0.599359 0.000000 Mg\n0.799996 0.599993 0.000000 Mg\n0.200021 0.600010 0.000000 Mg\n0.399990 0.600011 0.000000 Mg\n0.998784 0.798154 0.000000 Mg\n0.799370 0.798154 0.000000 Mg\n0.399990 0.799979 0.000000 Mg\n0.601315 0.800657 0.000000 Mg\n0.199343 0.800657 0.000000 Mg\n0.599104 0.999745 0.000000 Mg\n0.400641 0.999746 0.000000 Mg\n0.266301 0.332496 0.166306 Mg\n0.066196 0.332497 0.166306 Mg\n0.667503 0.733699 0.166306 Mg\n0.066196 0.733699 0.166306 Mg\n0.266301 0.933804 0.166306 Mg\n0.667503 0.933804 0.166306 Mg\n0.466693 0.133280 0.166348 Mg\n0.666587 0.133280 0.166348 Mg\n0.866720 0.333413 0.166348 Mg\n0.466693 0.333413 0.166348 Mg\n0.666587 0.533307 0.166348 Mg\n0.866720 0.533307 0.166348 Mg\n0.266431 0.532861 0.166354 Mg\n0.266431 0.733569 0.166354 Mg\n0.467139 0.733569 0.166354 Mg\n0.666667 0.333333 0.166369 Mg\n0.066774 0.533387 0.166594 Mg\n0.466613 0.533387 0.166594 Mg\n0.466613 0.933226 0.166594 Mg\n0.866480 0.133520 0.167290 Mg\n0.267040 0.133520 0.167290 Mg\n0.866480 0.732960 0.167290 Mg\n0.066972 0.133944 0.168070 Mg\n0.866055 0.933027 0.168070 Mg\n0.066972 0.933028 0.168070 Mg\n0.199800 0.399600 0.332887 Mg\n0.600400 0.800200 0.332887 Mg\n0.199800 0.800200 0.332887 Mg\n0.000000 0.000000 0.332899 Mg\n0.399966 0.199983 0.333110 Mg\n0.800017 0.199983 0.333110 Mg\n0.800017 0.600034 0.333110 Mg\n0.600001 0.200001 0.333123 Mg\n0.799999 0.399999 0.333123 Mg\n0.600001 0.400000 0.333123 Mg\n0.399889 0.000000 0.333160 Mg\n0.600129 0.000000 0.333160 Mg\n0.000000 0.399871 0.333160 Mg\n0.399889 0.399871 0.333160 Mg\n0.000000 0.600111 0.333160 Mg\n0.600129 0.600111 0.333160 Mg\n0.399997 0.600002 0.333221 Mg\n0.200005 0.600002 0.333221 Mg\n0.399997 0.799995 0.333221 Mg\n0.800096 0.000000 0.333820 Mg\n0.199980 0.000000 0.333820 Mg\n0.199980 0.199905 0.333820 Mg\n0.000000 0.199905 0.333820 Mg\n0.000000 0.800021 0.333820 Mg\n0.800096 0.800021 0.333820 Mg\n0.066588 0.133176 0.500000 Mg\n0.666545 0.133333 0.500000 Mg\n0.466789 0.133334 0.500000 Mg\n0.266726 0.133363 0.500000 Mg\n0.866637 0.133363 0.500000 Mg\n0.266594 0.333262 0.500000 Mg\n0.066669 0.333263 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466789 0.333455 0.500000 Mg\n0.866666 0.333455 0.500000 Mg\n0.666545 0.533211 0.500000 Mg\n0.866666 0.533212 0.500000 Mg\n0.266697 0.533394 0.500000 Mg\n0.066823 0.533411 0.500000 Mg\n0.466588 0.533411 0.500000 Mg\n0.866637 0.733274 0.500000 Mg\n0.466606 0.733303 0.500000 Mg\n0.266697 0.733303 0.500000 Mg\n0.666738 0.733407 0.500000 Mg\n0.066669 0.733407 0.500000 Mg\n0.466588 0.933177 0.500000 Mg\n0.266594 0.933331 0.500000 Mg\n0.666738 0.933331 0.500000 Mg\n0.866824 0.933412 0.500000 Mg\n0.066588 0.933412 0.500000 Mg\n0.800096 0.000000 0.666180 Mg\n0.199980 0.000000 0.666180 Mg\n0.199980 0.199905 0.666180 Mg\n0.000000 0.199905 0.666180 Mg\n0.000000 0.800021 0.666180 Mg\n0.800096 0.800021 0.666180 Mg\n0.399997 0.600002 0.666779 Mg\n0.200005 0.600002 0.666779 Mg\n0.399997 0.799995 0.666779 Mg\n0.399889 0.000000 0.666840 Mg\n0.600129 0.000000 0.666840 Mg\n0.000000 0.399871 0.666840 Mg\n0.399889 0.399871 0.666840 Mg\n0.000000 0.600111 0.666840 Mg\n0.600129 0.600111 0.666840 Mg\n0.600001 0.200001 0.666876 Mg\n0.799999 0.399999 0.666876 Mg\n0.600001 0.400000 0.666876 Mg\n0.399966 0.199983 0.666890 Mg\n0.800017 0.199983 0.666890 Mg\n0.800017 0.600034 0.666890 Mg\n0.000000 0.000000 0.667101 Mg\n0.199800 0.399600 0.667113 Mg\n0.600400 0.800200 0.667113 Mg\n0.199800 0.800200 0.667113 Mg\n0.066972 0.133944 0.831930 Mg\n0.866055 0.933027 0.831930 Mg\n0.066972 0.933028 0.831930 Mg\n0.866480 0.133520 0.832710 Mg\n0.267040 0.133520 0.832710 Mg\n0.866480 0.732960 0.832710 Mg\n0.066774 0.533387 0.833406 Mg\n0.466613 0.533387 0.833406 Mg\n0.466613 0.933226 0.833406 Mg\n0.666667 0.333333 0.833631 Mg\n0.266431 0.532861 0.833646 Mg\n0.266431 0.733569 0.833646 Mg\n0.467139 0.733569 0.833646 Mg\n0.466693 0.133280 0.833652 Mg\n0.666587 0.133280 0.833652 Mg\n0.866720 0.333413 0.833652 Mg\n0.466693 0.333413 0.833652 Mg\n0.666587 0.533307 0.833652 Mg\n0.866720 0.533307 0.833652 Mg\n0.266301 0.332496 0.833694 Mg\n0.066196 0.332497 0.833694 Mg\n0.667503 0.733699 0.833694 Mg\n0.066196 0.733699 0.833694 Mg\n0.266301 0.933804 0.833694 Mg\n0.667503 0.933804 0.833694 Mg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 1.8098244146985876,
"density_atomic": 0.04367520899856931,
"volume": 3434.442637811158,
"volume_molar": 13.78846466469633,
"formula_full": "Mg149 Sb1",
"formula_reduced": "Mg149Sb",
"formula_anonymous": "AB149",
"formation_energy": -0.0025410637388921,
"spacegroup": 187
},
{
"id": "oqmd-31720",
"created_at": "2022-09-04T14:51:16.184529Z",
"updated_at": "2022-09-04T14:51:16.184548Z",
"structure_string": "Mg149 Bi1\n1.0\n13.794267 -7.964128 0.000000\n0.000000 15.928256 0.000000\n0.000000 0.000000 15.643860\nBi Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Bi\n0.797090 0.000969 0.000000 Mg\n0.203879 0.000969 0.000000 Mg\n0.799713 0.200286 0.000000 Mg\n0.400573 0.200286 0.000000 Mg\n0.600191 0.200381 0.000000 Mg\n0.203879 0.202910 0.000000 Mg\n0.999031 0.202910 0.000000 Mg\n0.199765 0.399529 0.000000 Mg\n0.799619 0.399810 0.000000 Mg\n0.600191 0.399810 0.000000 Mg\n0.000230 0.401324 0.000000 Mg\n0.401094 0.401324 0.000000 Mg\n0.000230 0.598906 0.000000 Mg\n0.598676 0.598906 0.000000 Mg\n0.799713 0.599427 0.000000 Mg\n0.399944 0.600056 0.000000 Mg\n0.200113 0.600057 0.000000 Mg\n0.797090 0.796121 0.000000 Mg\n0.999031 0.796121 0.000000 Mg\n0.399944 0.799887 0.000000 Mg\n0.199765 0.800235 0.000000 Mg\n0.600471 0.800236 0.000000 Mg\n0.598676 0.999770 0.000000 Mg\n0.401094 0.999770 0.000000 Mg\n0.466759 0.133323 0.166411 Mg\n0.666564 0.133323 0.166411 Mg\n0.466759 0.333436 0.166411 Mg\n0.866677 0.333436 0.166411 Mg\n0.666564 0.533241 0.166411 Mg\n0.866677 0.533241 0.166411 Mg\n0.666667 0.333333 0.166461 Mg\n0.266571 0.533142 0.166511 Mg\n0.266571 0.733429 0.166511 Mg\n0.466858 0.733429 0.166511 Mg\n0.066362 0.333123 0.166612 Mg\n0.266762 0.333123 0.166612 Mg\n0.666876 0.733238 0.166612 Mg\n0.066362 0.733239 0.166612 Mg\n0.666876 0.933638 0.166612 Mg\n0.266762 0.933638 0.166612 Mg\n0.466574 0.533426 0.166690 Mg\n0.066852 0.533426 0.166690 Mg\n0.466574 0.933148 0.166690 Mg\n0.267006 0.133503 0.167214 Mg\n0.866497 0.133503 0.167214 Mg\n0.866497 0.732994 0.167214 Mg\n0.067743 0.135487 0.169922 Mg\n0.864513 0.932257 0.169922 Mg\n0.067743 0.932257 0.169922 Mg\n0.199849 0.399698 0.333034 Mg\n0.199849 0.800151 0.333034 Mg\n0.600302 0.800151 0.333034 Mg\n0.799924 0.200076 0.333130 Mg\n0.400152 0.200076 0.333130 Mg\n0.799924 0.599847 0.333130 Mg\n0.600022 0.200043 0.333197 Mg\n0.799957 0.399978 0.333197 Mg\n0.600022 0.399978 0.333197 Mg\n0.400032 0.000000 0.333259 Mg\n0.600039 0.000000 0.333259 Mg\n0.000000 0.399961 0.333259 Mg\n0.400032 0.399961 0.333259 Mg\n0.000000 0.599968 0.333259 Mg\n0.600039 0.599968 0.333259 Mg\n0.399984 0.600015 0.333309 Mg\n0.200031 0.600016 0.333309 Mg\n0.399984 0.799969 0.333309 Mg\n0.000000 0.000000 0.333615 Mg\n0.799894 0.000247 0.334178 Mg\n0.200354 0.000247 0.334178 Mg\n0.999753 0.200106 0.334178 Mg\n0.200354 0.200106 0.334178 Mg\n0.799894 0.799647 0.334178 Mg\n0.999753 0.799647 0.334178 Mg\n0.466792 0.133304 0.500000 Mg\n0.666512 0.133304 0.500000 Mg\n0.066671 0.133343 0.500000 Mg\n0.266841 0.133421 0.500000 Mg\n0.866580 0.133421 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066761 0.333412 0.500000 Mg\n0.266651 0.333412 0.500000 Mg\n0.866696 0.333488 0.500000 Mg\n0.466792 0.333488 0.500000 Mg\n0.866696 0.533208 0.500000 Mg\n0.666512 0.533208 0.500000 Mg\n0.466566 0.533434 0.500000 Mg\n0.066868 0.533434 0.500000 Mg\n0.266727 0.533454 0.500000 Mg\n0.866580 0.733159 0.500000 Mg\n0.266727 0.733273 0.500000 Mg\n0.466546 0.733273 0.500000 Mg\n0.066761 0.733349 0.500000 Mg\n0.666588 0.733349 0.500000 Mg\n0.466566 0.933132 0.500000 Mg\n0.266651 0.933239 0.500000 Mg\n0.666588 0.933239 0.500000 Mg\n0.066671 0.933329 0.500000 Mg\n0.866657 0.933329 0.500000 Mg\n0.799894 0.000247 0.665822 Mg\n0.200354 0.000247 0.665822 Mg\n0.999753 0.200106 0.665822 Mg\n0.200354 0.200106 0.665822 Mg\n0.799894 0.799647 0.665822 Mg\n0.999753 0.799647 0.665822 Mg\n0.000000 0.000000 0.666385 Mg\n0.399984 0.600015 0.666691 Mg\n0.200031 0.600016 0.666691 Mg\n0.399984 0.799969 0.666691 Mg\n0.400032 0.000000 0.666741 Mg\n0.600039 0.000000 0.666741 Mg\n0.000000 0.399961 0.666741 Mg\n0.400032 0.399961 0.666741 Mg\n0.000000 0.599968 0.666741 Mg\n0.600039 0.599968 0.666741 Mg\n0.600022 0.200043 0.666803 Mg\n0.799957 0.399978 0.666803 Mg\n0.600022 0.399978 0.666803 Mg\n0.799924 0.200076 0.666870 Mg\n0.400152 0.200076 0.666870 Mg\n0.799924 0.599847 0.666870 Mg\n0.199849 0.399698 0.666966 Mg\n0.199849 0.800151 0.666966 Mg\n0.600302 0.800151 0.666966 Mg\n0.067743 0.135487 0.830078 Mg\n0.864513 0.932257 0.830078 Mg\n0.067743 0.932257 0.830078 Mg\n0.267006 0.133503 0.832786 Mg\n0.866497 0.133503 0.832786 Mg\n0.866497 0.732994 0.832786 Mg\n0.466574 0.533426 0.833310 Mg\n0.066852 0.533426 0.833310 Mg\n0.466574 0.933148 0.833310 Mg\n0.066362 0.333123 0.833388 Mg\n0.266762 0.333123 0.833388 Mg\n0.666876 0.733238 0.833388 Mg\n0.066362 0.733239 0.833388 Mg\n0.666876 0.933638 0.833388 Mg\n0.266762 0.933638 0.833388 Mg\n0.266571 0.533142 0.833489 Mg\n0.266571 0.733429 0.833489 Mg\n0.466858 0.733429 0.833489 Mg\n0.666667 0.333333 0.833539 Mg\n0.466759 0.133323 0.833589 Mg\n0.666564 0.133323 0.833589 Mg\n0.466759 0.333436 0.833589 Mg\n0.866677 0.333436 0.833589 Mg\n0.666564 0.533241 0.833589 Mg\n0.866677 0.533241 0.833589 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Bi",
"Mg"
],
"chemical_system": "Bi-Mg",
"density": 1.8504839830101447,
"density_atomic": 0.04363957208380937,
"volume": 3437.2472697928033,
"volume_molar": 13.799724590411973,
"formula_full": "Mg149 Bi1",
"formula_reduced": "Mg149Bi",
"formula_anonymous": "AB149",
"formation_energy": -0.001415866605559,
"spacegroup": 187
},
{
"id": "oqmd-31779",
"created_at": "2022-09-04T14:49:02.823742Z",
"updated_at": "2022-09-04T14:49:02.823760Z",
"structure_string": "Mg149 Sn1\n1.0\n13.787291 -7.960100 0.000000\n0.000000 15.920200 0.000000\n0.000000 0.000000 15.636923\nMg Sn\n149 1\ndirect\n0.201113 0.000930 0.000000 Mg\n0.799818 0.000930 0.000000 Mg\n0.399977 0.199989 0.000000 Mg\n0.800011 0.199989 0.000000 Mg\n0.600087 0.200174 0.000000 Mg\n0.999069 0.200182 0.000000 Mg\n0.201113 0.200183 0.000000 Mg\n0.199455 0.398911 0.000000 Mg\n0.799826 0.399913 0.000000 Mg\n0.600087 0.399913 0.000000 Mg\n0.400314 0.400446 0.000000 Mg\n0.000133 0.400446 0.000000 Mg\n0.599554 0.599687 0.000000 Mg\n0.000133 0.599687 0.000000 Mg\n0.199976 0.599988 0.000000 Mg\n0.400012 0.599988 0.000000 Mg\n0.800011 0.600023 0.000000 Mg\n0.999069 0.798887 0.000000 Mg\n0.799818 0.798888 0.000000 Mg\n0.400012 0.800024 0.000000 Mg\n0.601088 0.800544 0.000000 Mg\n0.199455 0.800544 0.000000 Mg\n0.599554 0.999868 0.000000 Mg\n0.400314 0.999868 0.000000 Mg\n0.066310 0.332626 0.166386 Mg\n0.266316 0.332626 0.166386 Mg\n0.066310 0.733684 0.166386 Mg\n0.667374 0.733684 0.166386 Mg\n0.667374 0.933690 0.166386 Mg\n0.266316 0.933690 0.166386 Mg\n0.466758 0.133316 0.166492 Mg\n0.666557 0.133316 0.166492 Mg\n0.466758 0.333443 0.166492 Mg\n0.866684 0.333443 0.166492 Mg\n0.666557 0.533242 0.166492 Mg\n0.866684 0.533242 0.166492 Mg\n0.666667 0.333333 0.166508 Mg\n0.266493 0.532985 0.166516 Mg\n0.467015 0.733507 0.166516 Mg\n0.266493 0.733508 0.166516 Mg\n0.466612 0.533388 0.166622 Mg\n0.066776 0.533388 0.166622 Mg\n0.466612 0.933224 0.166622 Mg\n0.866393 0.133607 0.167277 Mg\n0.267214 0.133607 0.167277 Mg\n0.866393 0.732786 0.167277 Mg\n0.066796 0.133592 0.167559 Mg\n0.866408 0.933204 0.167559 Mg\n0.066796 0.933204 0.167559 Mg\n0.199845 0.399689 0.333011 Mg\n0.600311 0.800155 0.333011 Mg\n0.199845 0.800155 0.333011 Mg\n0.399878 0.000000 0.333180 Mg\n0.600133 0.000000 0.333180 Mg\n0.000000 0.399867 0.333180 Mg\n0.399878 0.399867 0.333180 Mg\n0.000000 0.600122 0.333180 Mg\n0.600133 0.600122 0.333180 Mg\n0.600000 0.199999 0.333204 Mg\n0.600000 0.400000 0.333204 Mg\n0.800001 0.400001 0.333204 Mg\n0.000000 0.000000 0.333234 Mg\n0.400033 0.200016 0.333264 Mg\n0.799983 0.200017 0.333264 Mg\n0.799983 0.599966 0.333264 Mg\n0.199999 0.600000 0.333298 Mg\n0.400000 0.600000 0.333298 Mg\n0.400000 0.800000 0.333298 Mg\n0.199895 0.000000 0.333635 Mg\n0.800137 0.000000 0.333635 Mg\n0.199895 0.199863 0.333635 Mg\n0.000000 0.199863 0.333635 Mg\n0.000000 0.800105 0.333635 Mg\n0.800137 0.800105 0.333635 Mg\n0.066600 0.133200 0.500000 Mg\n0.666577 0.133297 0.500000 Mg\n0.466720 0.133297 0.500000 Mg\n0.866667 0.133333 0.500000 Mg\n0.266666 0.133333 0.500000 Mg\n0.266582 0.333232 0.500000 Mg\n0.066650 0.333233 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466720 0.333423 0.500000 Mg\n0.866703 0.333423 0.500000 Mg\n0.666577 0.533280 0.500000 Mg\n0.866703 0.533280 0.500000 Mg\n0.266667 0.533335 0.500000 Mg\n0.466633 0.533367 0.500000 Mg\n0.066734 0.533367 0.500000 Mg\n0.266667 0.733332 0.500000 Mg\n0.466665 0.733333 0.500000 Mg\n0.866667 0.733334 0.500000 Mg\n0.666768 0.733417 0.500000 Mg\n0.066650 0.733417 0.500000 Mg\n0.466633 0.933266 0.500000 Mg\n0.266582 0.933350 0.500000 Mg\n0.666768 0.933351 0.500000 Mg\n0.066600 0.933400 0.500000 Mg\n0.866800 0.933400 0.500000 Mg\n0.199895 0.000000 0.666366 Mg\n0.800137 0.000000 0.666366 Mg\n0.199895 0.199863 0.666366 Mg\n0.000000 0.199863 0.666366 Mg\n0.000000 0.800105 0.666366 Mg\n0.800137 0.800105 0.666366 Mg\n0.199999 0.600000 0.666703 Mg\n0.400000 0.600000 0.666703 Mg\n0.400000 0.800000 0.666703 Mg\n0.400033 0.200016 0.666737 Mg\n0.799983 0.200017 0.666737 Mg\n0.799983 0.599966 0.666737 Mg\n0.000000 0.000000 0.666766 Mg\n0.600000 0.199999 0.666796 Mg\n0.600000 0.400000 0.666796 Mg\n0.800001 0.400001 0.666796 Mg\n0.399878 0.000000 0.666820 Mg\n0.600133 0.000000 0.666820 Mg\n0.000000 0.399867 0.666820 Mg\n0.399878 0.399867 0.666820 Mg\n0.000000 0.600122 0.666820 Mg\n0.600133 0.600122 0.666820 Mg\n0.199845 0.399689 0.666989 Mg\n0.600311 0.800155 0.666989 Mg\n0.199845 0.800155 0.666989 Mg\n0.066796 0.133592 0.832441 Mg\n0.866408 0.933204 0.832441 Mg\n0.066796 0.933204 0.832441 Mg\n0.866393 0.133607 0.832723 Mg\n0.267214 0.133607 0.832723 Mg\n0.866393 0.732786 0.832723 Mg\n0.466612 0.533388 0.833378 Mg\n0.066776 0.533388 0.833378 Mg\n0.466612 0.933224 0.833378 Mg\n0.266493 0.532985 0.833484 Mg\n0.467015 0.733507 0.833484 Mg\n0.266493 0.733508 0.833484 Mg\n0.666667 0.333333 0.833492 Mg\n0.466758 0.133316 0.833508 Mg\n0.666557 0.133316 0.833508 Mg\n0.466758 0.333443 0.833508 Mg\n0.866684 0.333443 0.833508 Mg\n0.666557 0.533242 0.833508 Mg\n0.866684 0.533242 0.833508 Mg\n0.066310 0.332626 0.833613 Mg\n0.266316 0.332626 0.833613 Mg\n0.066310 0.733684 0.833613 Mg\n0.667374 0.733684 0.833613 Mg\n0.667374 0.933690 0.833613 Mg\n0.266316 0.933690 0.833613 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
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{
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"elements": [
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"density": 1.7738177811859643,
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{
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"structure_string": "Mg149 Ge1\n1.0\n13.773375 -7.952065 0.000000\n0.000000 15.904130 0.000000\n0.000000 0.000000 15.605995\nGe Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ge\n0.197750 0.001103 0.000000 Mg\n0.803354 0.001103 0.000000 Mg\n0.998897 0.196646 0.000000 Mg\n0.197750 0.196646 0.000000 Mg\n0.399108 0.199554 0.000000 Mg\n0.800446 0.199554 0.000000 Mg\n0.600008 0.200015 0.000000 Mg\n0.198983 0.397966 0.000000 Mg\n0.399626 0.399737 0.000000 Mg\n0.000110 0.399737 0.000000 Mg\n0.600008 0.399992 0.000000 Mg\n0.799985 0.399992 0.000000 Mg\n0.199790 0.599895 0.000000 Mg\n0.400105 0.599895 0.000000 Mg\n0.000110 0.600374 0.000000 Mg\n0.600264 0.600374 0.000000 Mg\n0.800446 0.600892 0.000000 Mg\n0.400105 0.800210 0.000000 Mg\n0.198983 0.801017 0.000000 Mg\n0.602034 0.801017 0.000000 Mg\n0.803354 0.802250 0.000000 Mg\n0.998897 0.802250 0.000000 Mg\n0.399626 0.999890 0.000000 Mg\n0.600264 0.999890 0.000000 Mg\n0.065661 0.131322 0.164473 Mg\n0.065661 0.934339 0.164473 Mg\n0.868678 0.934339 0.164473 Mg\n0.265718 0.331856 0.166053 Mg\n0.066138 0.331856 0.166053 Mg\n0.066138 0.734282 0.166053 Mg\n0.668144 0.734282 0.166053 Mg\n0.265718 0.933862 0.166053 Mg\n0.668144 0.933862 0.166053 Mg\n0.266374 0.532748 0.166371 Mg\n0.266374 0.733626 0.166371 Mg\n0.467252 0.733626 0.166371 Mg\n0.466663 0.533336 0.166417 Mg\n0.066673 0.533337 0.166417 Mg\n0.466663 0.933327 0.166417 Mg\n0.666624 0.133305 0.166421 Mg\n0.466682 0.133306 0.166421 Mg\n0.866695 0.333376 0.166421 Mg\n0.466682 0.333376 0.166421 Mg\n0.666624 0.533318 0.166421 Mg\n0.866695 0.533319 0.166421 Mg\n0.666667 0.333333 0.166436 Mg\n0.267268 0.133634 0.167213 Mg\n0.866366 0.133634 0.167213 Mg\n0.866366 0.732732 0.167213 Mg\n0.000000 0.000000 0.332257 Mg\n0.199855 0.399710 0.332927 Mg\n0.600289 0.800145 0.332927 Mg\n0.199855 0.800145 0.332927 Mg\n0.000161 0.199607 0.333000 Mg\n0.199446 0.199607 0.333000 Mg\n0.800394 0.800554 0.333000 Mg\n0.000161 0.800554 0.333000 Mg\n0.199446 0.999839 0.333000 Mg\n0.800394 0.999839 0.333000 Mg\n0.000000 0.399737 0.333074 Mg\n0.399718 0.399737 0.333074 Mg\n0.600263 0.600283 0.333074 Mg\n0.000000 0.600283 0.333074 Mg\n0.399718 0.000000 0.333074 Mg\n0.600263 0.000000 0.333074 Mg\n0.599981 0.199962 0.333176 Mg\n0.599981 0.400019 0.333176 Mg\n0.800038 0.400019 0.333176 Mg\n0.399826 0.199913 0.333219 Mg\n0.800086 0.199913 0.333219 Mg\n0.800086 0.600173 0.333219 Mg\n0.400001 0.599999 0.333276 Mg\n0.199998 0.599999 0.333276 Mg\n0.400001 0.800002 0.333276 Mg\n0.066544 0.133088 0.500000 Mg\n0.266503 0.133251 0.500000 Mg\n0.866748 0.133252 0.500000 Mg\n0.666566 0.133337 0.500000 Mg\n0.466772 0.133338 0.500000 Mg\n0.066527 0.333023 0.500000 Mg\n0.266497 0.333024 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866663 0.333434 0.500000 Mg\n0.466772 0.333434 0.500000 Mg\n0.666566 0.533228 0.500000 Mg\n0.866663 0.533229 0.500000 Mg\n0.266666 0.533332 0.500000 Mg\n0.466637 0.533363 0.500000 Mg\n0.066726 0.533363 0.500000 Mg\n0.266666 0.733334 0.500000 Mg\n0.466668 0.733335 0.500000 Mg\n0.866748 0.733497 0.500000 Mg\n0.666977 0.733503 0.500000 Mg\n0.066527 0.733504 0.500000 Mg\n0.466637 0.933275 0.500000 Mg\n0.866911 0.933456 0.500000 Mg\n0.066544 0.933456 0.500000 Mg\n0.266497 0.933473 0.500000 Mg\n0.666977 0.933473 0.500000 Mg\n0.400001 0.599999 0.666723 Mg\n0.199998 0.599999 0.666723 Mg\n0.400001 0.800002 0.666723 Mg\n0.399826 0.199913 0.666781 Mg\n0.800086 0.199913 0.666781 Mg\n0.800086 0.600173 0.666781 Mg\n0.599981 0.199962 0.666825 Mg\n0.599981 0.400019 0.666825 Mg\n0.800038 0.400019 0.666825 Mg\n0.000000 0.399737 0.666926 Mg\n0.399718 0.399737 0.666926 Mg\n0.600263 0.600283 0.666926 Mg\n0.000000 0.600283 0.666926 Mg\n0.399718 0.000000 0.666926 Mg\n0.600263 0.000000 0.666926 Mg\n0.000161 0.199607 0.667000 Mg\n0.199446 0.199607 0.667000 Mg\n0.800394 0.800554 0.667000 Mg\n0.000161 0.800554 0.667000 Mg\n0.199446 0.999839 0.667000 Mg\n0.800394 0.999839 0.667000 Mg\n0.199855 0.399710 0.667072 Mg\n0.600289 0.800145 0.667072 Mg\n0.199855 0.800145 0.667072 Mg\n0.000000 0.000000 0.667743 Mg\n0.267268 0.133634 0.832787 Mg\n0.866366 0.133634 0.832787 Mg\n0.866366 0.732732 0.832787 Mg\n0.666667 0.333333 0.833564 Mg\n0.666624 0.133305 0.833580 Mg\n0.466682 0.133306 0.833580 Mg\n0.866695 0.333376 0.833580 Mg\n0.466682 0.333376 0.833580 Mg\n0.666624 0.533318 0.833580 Mg\n0.866695 0.533319 0.833580 Mg\n0.466663 0.533336 0.833582 Mg\n0.066673 0.533337 0.833582 Mg\n0.466663 0.933327 0.833582 Mg\n0.266374 0.532748 0.833630 Mg\n0.266374 0.733626 0.833630 Mg\n0.467252 0.733626 0.833630 Mg\n0.265718 0.331856 0.833946 Mg\n0.066138 0.331856 0.833946 Mg\n0.066138 0.734282 0.833946 Mg\n0.668144 0.734282 0.833946 Mg\n0.265718 0.933862 0.833946 Mg\n0.668144 0.933862 0.833946 Mg\n0.065661 0.131322 0.835528 Mg\n0.065661 0.934339 0.835528 Mg\n0.868678 0.934339 0.835528 Mg\n",
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"elements": [
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"density": 1.794379212260593,
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"volume": 3418.5485520159996,
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{
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"nelements": 2,
"elements": [
"I",
"Mg"
],
"chemical_system": "I-Mg",
"density": 1.8044598365459614,
"density_atomic": 0.043485984520014655,
"volume": 3449.3872371904495,
"volume_molar": 13.848463652072262,
"formula_full": "Mg149 I1",
"formula_reduced": "Mg149I",
"formula_anonymous": "AB149",
"formation_energy": 0.0017915437449189,
"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-31778",
"created_at": "2022-09-04T14:49:01.053002Z",
"updated_at": "2022-09-04T14:49:01.053025Z",
"structure_string": "Sm1 Mg149\n1.0\n13.823434 -7.980968 0.000000\n0.000000 15.961934 0.000000\n0.000000 0.000000 15.627411\nMg Sm\n149 1\ndirect\n0.599937 0.199875 0.000000 Mg\n0.401237 0.200618 0.000000 Mg\n0.799382 0.200619 0.000000 Mg\n0.003241 0.205309 0.000000 Mg\n0.202068 0.205310 0.000000 Mg\n0.599937 0.400062 0.000000 Mg\n0.800125 0.400063 0.000000 Mg\n0.000173 0.400180 0.000000 Mg\n0.400007 0.400180 0.000000 Mg\n0.201630 0.403260 0.000000 Mg\n0.799382 0.598763 0.000000 Mg\n0.000173 0.599993 0.000000 Mg\n0.599821 0.599994 0.000000 Mg\n0.399753 0.600247 0.000000 Mg\n0.200494 0.600247 0.000000 Mg\n0.003241 0.797931 0.000000 Mg\n0.794690 0.797931 0.000000 Mg\n0.201630 0.798370 0.000000 Mg\n0.596740 0.798370 0.000000 Mg\n0.399753 0.799506 0.000000 Mg\n0.794690 0.996759 0.000000 Mg\n0.202068 0.996759 0.000000 Mg\n0.400007 0.999827 0.000000 Mg\n0.599821 0.999827 0.000000 Mg\n0.868432 0.131568 0.164468 Mg\n0.263136 0.131568 0.164468 Mg\n0.868432 0.736864 0.164468 Mg\n0.666666 0.333333 0.166282 Mg\n0.667377 0.132769 0.166479 Mg\n0.465393 0.132769 0.166479 Mg\n0.867231 0.332623 0.166479 Mg\n0.465393 0.332624 0.166479 Mg\n0.867231 0.534608 0.166479 Mg\n0.667377 0.534608 0.166479 Mg\n0.466699 0.533301 0.167264 Mg\n0.066602 0.533301 0.167264 Mg\n0.466699 0.933398 0.167264 Mg\n0.267165 0.534330 0.167454 Mg\n0.267165 0.732835 0.167454 Mg\n0.465669 0.732835 0.167454 Mg\n0.267978 0.335925 0.167713 Mg\n0.067946 0.335925 0.167713 Mg\n0.664075 0.732022 0.167713 Mg\n0.067946 0.732022 0.167713 Mg\n0.664075 0.932053 0.167713 Mg\n0.267978 0.932053 0.167713 Mg\n0.067948 0.135895 0.169815 Mg\n0.864105 0.932053 0.169815 Mg\n0.067948 0.932053 0.169815 Mg\n0.399830 0.199915 0.332858 Mg\n0.800085 0.199916 0.332858 Mg\n0.800085 0.600169 0.332858 Mg\n0.600073 0.200146 0.332920 Mg\n0.600073 0.399927 0.332920 Mg\n0.799855 0.399927 0.332920 Mg\n0.799502 0.000000 0.333538 Mg\n0.200559 0.000000 0.333538 Mg\n0.200559 0.200498 0.333538 Mg\n0.000000 0.200498 0.333538 Mg\n0.000000 0.799441 0.333538 Mg\n0.799502 0.799441 0.333538 Mg\n0.599775 0.000211 0.333716 Mg\n0.400436 0.000211 0.333716 Mg\n0.999789 0.400225 0.333716 Mg\n0.400436 0.400225 0.333716 Mg\n0.599775 0.599564 0.333716 Mg\n0.999789 0.599564 0.333716 Mg\n0.399973 0.600027 0.333902 Mg\n0.200054 0.600027 0.333902 Mg\n0.399973 0.799946 0.333902 Mg\n0.200311 0.400621 0.334144 Mg\n0.200311 0.799690 0.334144 Mg\n0.599379 0.799690 0.334144 Mg\n0.000000 0.000000 0.334457 Mg\n0.866535 0.133464 0.500000 Mg\n0.266929 0.133465 0.500000 Mg\n0.066787 0.133575 0.500000 Mg\n0.467152 0.134254 0.500000 Mg\n0.667102 0.134254 0.500000 Mg\n0.865747 0.332899 0.500000 Mg\n0.467152 0.332899 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266879 0.333605 0.500000 Mg\n0.066726 0.333605 0.500000 Mg\n0.865747 0.532848 0.500000 Mg\n0.667102 0.532848 0.500000 Mg\n0.466875 0.533124 0.500000 Mg\n0.066249 0.533125 0.500000 Mg\n0.266746 0.533493 0.500000 Mg\n0.866535 0.733071 0.500000 Mg\n0.066726 0.733121 0.500000 Mg\n0.666395 0.733121 0.500000 Mg\n0.266746 0.733254 0.500000 Mg\n0.466508 0.733254 0.500000 Mg\n0.066787 0.933213 0.500000 Mg\n0.866425 0.933213 0.500000 Mg\n0.266879 0.933275 0.500000 Mg\n0.666395 0.933275 0.500000 Mg\n0.466875 0.933751 0.500000 Mg\n0.000000 0.000000 0.665543 Mg\n0.200311 0.400621 0.665856 Mg\n0.200311 0.799690 0.665856 Mg\n0.599379 0.799690 0.665856 Mg\n0.399973 0.600027 0.666098 Mg\n0.200054 0.600027 0.666098 Mg\n0.399973 0.799946 0.666098 Mg\n0.599775 0.000211 0.666284 Mg\n0.400436 0.000211 0.666284 Mg\n0.999789 0.400225 0.666284 Mg\n0.400436 0.400225 0.666284 Mg\n0.599775 0.599564 0.666284 Mg\n0.999789 0.599564 0.666284 Mg\n0.799502 0.000000 0.666462 Mg\n0.200559 0.000000 0.666462 Mg\n0.200559 0.200498 0.666462 Mg\n0.000000 0.200498 0.666462 Mg\n0.000000 0.799441 0.666462 Mg\n0.799502 0.799441 0.666462 Mg\n0.600073 0.200146 0.667080 Mg\n0.600073 0.399927 0.667080 Mg\n0.799855 0.399927 0.667080 Mg\n0.399830 0.199915 0.667142 Mg\n0.800085 0.199916 0.667142 Mg\n0.800085 0.600169 0.667142 Mg\n0.067948 0.135895 0.830185 Mg\n0.864105 0.932053 0.830185 Mg\n0.067948 0.932053 0.830185 Mg\n0.267978 0.335925 0.832287 Mg\n0.067946 0.335925 0.832287 Mg\n0.664075 0.732022 0.832287 Mg\n0.067946 0.732022 0.832287 Mg\n0.664075 0.932053 0.832287 Mg\n0.267978 0.932053 0.832287 Mg\n0.267165 0.534330 0.832546 Mg\n0.267165 0.732835 0.832546 Mg\n0.465669 0.732835 0.832546 Mg\n0.466699 0.533301 0.832736 Mg\n0.066602 0.533301 0.832736 Mg\n0.466699 0.933398 0.832736 Mg\n0.667377 0.132769 0.833521 Mg\n0.465393 0.132769 0.833521 Mg\n0.867231 0.332623 0.833521 Mg\n0.465393 0.332624 0.833521 Mg\n0.867231 0.534608 0.833521 Mg\n0.667377 0.534608 0.833521 Mg\n0.666666 0.333333 0.833718 Mg\n0.868432 0.131568 0.835532 Mg\n0.263136 0.131568 0.835532 Mg\n0.868432 0.736864 0.835532 Mg\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 150,
"nelements": 2,
"elements": [
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"Sm"
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"chemical_system": "Mg-Sm",
"density": 1.8163930899738647,
"density_atomic": 0.043501353597657215,
"volume": 3448.168564761128,
"volume_molar": 13.843570974132458,
"formula_full": "Sm1 Mg149",
"formula_reduced": "SmMg149",
"formula_anonymous": "AB149",
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{
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"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-31784",
"created_at": "2022-09-04T14:49:01.232895Z",
"updated_at": "2022-09-04T14:49:01.232936Z",
"structure_string": "Mg149 Te1\n1.0\n13.800831 -7.967917 0.000000\n0.000000 15.935834 0.000000\n0.000000 0.000000 15.640723\nMg Te\n149 1\ndirect\n0.797733 0.001332 0.000000 Mg\n0.203599 0.001332 0.000000 Mg\n0.400392 0.200196 0.000000 Mg\n0.799804 0.200196 0.000000 Mg\n0.600225 0.200451 0.000000 Mg\n0.998668 0.202266 0.000000 Mg\n0.203599 0.202267 0.000000 Mg\n0.199489 0.398978 0.000000 Mg\n0.799549 0.399774 0.000000 Mg\n0.600225 0.399775 0.000000 Mg\n0.000403 0.401504 0.000000 Mg\n0.401101 0.401504 0.000000 Mg\n0.598496 0.598898 0.000000 Mg\n0.000403 0.598899 0.000000 Mg\n0.799804 0.599608 0.000000 Mg\n0.399874 0.600126 0.000000 Mg\n0.200252 0.600126 0.000000 Mg\n0.797733 0.796401 0.000000 Mg\n0.998668 0.796402 0.000000 Mg\n0.399874 0.799748 0.000000 Mg\n0.199489 0.800511 0.000000 Mg\n0.601023 0.800511 0.000000 Mg\n0.598496 0.999597 0.000000 Mg\n0.401101 0.999598 0.000000 Mg\n0.666666 0.333333 0.166235 Mg\n0.666640 0.133212 0.166260 Mg\n0.466573 0.133212 0.166260 Mg\n0.466573 0.333360 0.166260 Mg\n0.866788 0.333360 0.166260 Mg\n0.666640 0.533427 0.166260 Mg\n0.866788 0.533428 0.166260 Mg\n0.266447 0.532894 0.166356 Mg\n0.467105 0.733553 0.166356 Mg\n0.266447 0.733553 0.166356 Mg\n0.266527 0.332769 0.166417 Mg\n0.066242 0.332770 0.166417 Mg\n0.066242 0.733472 0.166417 Mg\n0.667230 0.733472 0.166417 Mg\n0.667230 0.933757 0.166417 Mg\n0.266527 0.933758 0.166417 Mg\n0.466586 0.533415 0.166761 Mg\n0.066829 0.533415 0.166761 Mg\n0.466586 0.933171 0.166761 Mg\n0.266544 0.133272 0.167248 Mg\n0.866728 0.133273 0.167248 Mg\n0.866728 0.733456 0.167248 Mg\n0.067465 0.134929 0.169476 Mg\n0.067465 0.932536 0.169476 Mg\n0.865071 0.932536 0.169476 Mg\n0.000000 0.000000 0.332611 Mg\n0.199789 0.399577 0.332868 Mg\n0.199789 0.800212 0.332868 Mg\n0.600423 0.800212 0.332868 Mg\n0.800009 0.199991 0.332989 Mg\n0.399982 0.199991 0.332989 Mg\n0.800009 0.600018 0.332989 Mg\n0.600025 0.200051 0.333051 Mg\n0.600025 0.399974 0.333051 Mg\n0.799949 0.399974 0.333051 Mg\n0.200023 0.600012 0.333215 Mg\n0.399988 0.600012 0.333215 Mg\n0.399988 0.799977 0.333215 Mg\n0.400020 0.000000 0.333261 Mg\n0.600030 0.000000 0.333261 Mg\n0.400020 0.399970 0.333261 Mg\n0.000000 0.399970 0.333261 Mg\n0.600030 0.599980 0.333261 Mg\n0.000000 0.599980 0.333261 Mg\n0.799847 0.000121 0.334237 Mg\n0.200275 0.000122 0.334237 Mg\n0.200275 0.200153 0.334237 Mg\n0.999878 0.200153 0.334237 Mg\n0.999878 0.799725 0.334237 Mg\n0.799847 0.799725 0.334237 Mg\n0.066592 0.133183 0.500000 Mg\n0.666582 0.133405 0.500000 Mg\n0.466824 0.133406 0.500000 Mg\n0.266880 0.133440 0.500000 Mg\n0.866559 0.133440 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866594 0.333418 0.500000 Mg\n0.466824 0.333418 0.500000 Mg\n0.066768 0.333430 0.500000 Mg\n0.266662 0.333430 0.500000 Mg\n0.866594 0.533176 0.500000 Mg\n0.666582 0.533176 0.500000 Mg\n0.466555 0.533445 0.500000 Mg\n0.066889 0.533445 0.500000 Mg\n0.266740 0.533481 0.500000 Mg\n0.866559 0.733119 0.500000 Mg\n0.466519 0.733260 0.500000 Mg\n0.266740 0.733260 0.500000 Mg\n0.666571 0.733338 0.500000 Mg\n0.066768 0.733338 0.500000 Mg\n0.466555 0.933110 0.500000 Mg\n0.666571 0.933233 0.500000 Mg\n0.266662 0.933233 0.500000 Mg\n0.866817 0.933409 0.500000 Mg\n0.066592 0.933409 0.500000 Mg\n0.799847 0.000121 0.665763 Mg\n0.200275 0.000122 0.665763 Mg\n0.200275 0.200153 0.665763 Mg\n0.999878 0.200153 0.665763 Mg\n0.999878 0.799725 0.665763 Mg\n0.799847 0.799725 0.665763 Mg\n0.400020 0.000000 0.666738 Mg\n0.600030 0.000000 0.666738 Mg\n0.400020 0.399970 0.666738 Mg\n0.000000 0.399970 0.666738 Mg\n0.600030 0.599980 0.666738 Mg\n0.000000 0.599980 0.666738 Mg\n0.200023 0.600012 0.666784 Mg\n0.399988 0.600012 0.666784 Mg\n0.399988 0.799977 0.666784 Mg\n0.600025 0.200051 0.666949 Mg\n0.600025 0.399974 0.666949 Mg\n0.799949 0.399974 0.666949 Mg\n0.800009 0.199991 0.667011 Mg\n0.399982 0.199991 0.667011 Mg\n0.800009 0.600018 0.667011 Mg\n0.199789 0.399577 0.667132 Mg\n0.199789 0.800212 0.667132 Mg\n0.600423 0.800212 0.667132 Mg\n0.000000 0.000000 0.667389 Mg\n0.067465 0.134929 0.830524 Mg\n0.067465 0.932536 0.830524 Mg\n0.865071 0.932536 0.830524 Mg\n0.266544 0.133272 0.832752 Mg\n0.866728 0.133273 0.832752 Mg\n0.866728 0.733456 0.832752 Mg\n0.466586 0.533415 0.833239 Mg\n0.066829 0.533415 0.833239 Mg\n0.466586 0.933171 0.833239 Mg\n0.266527 0.332769 0.833582 Mg\n0.066242 0.332770 0.833582 Mg\n0.066242 0.733472 0.833582 Mg\n0.667230 0.733472 0.833582 Mg\n0.667230 0.933757 0.833582 Mg\n0.266527 0.933758 0.833582 Mg\n0.266447 0.532894 0.833644 Mg\n0.467105 0.733553 0.833644 Mg\n0.266447 0.733553 0.833644 Mg\n0.666640 0.133212 0.833741 Mg\n0.466573 0.133212 0.833741 Mg\n0.466573 0.333360 0.833741 Mg\n0.866788 0.333360 0.833741 Mg\n0.666640 0.533427 0.833741 Mg\n0.866788 0.533428 0.833741 Mg\n0.666666 0.333333 0.833765 Mg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Te"
],
"chemical_system": "Mg-Te",
"density": 1.8098096154290595,
"density_atomic": 0.04360681822976932,
"volume": 3439.8290471373725,
"volume_molar": 13.810089808131956,
"formula_full": "Mg149 Te1",
"formula_reduced": "Mg149Te",
"formula_anonymous": "AB149",
"formation_energy": -0.003203210527781,
"spacegroup": 187
},
{
"id": "oqmd-31785",
"created_at": "2022-09-04T14:49:01.357428Z",
"updated_at": "2022-09-04T14:49:01.357455Z",
"structure_string": "Th1 Mg149\n1.0\n13.825206 -7.981990 0.000000\n0.000000 15.963979 0.000000\n0.000000 0.000000 15.625149\nMg Th\n149 1\ndirect\n0.599920 0.199840 0.000000 Mg\n0.799245 0.200754 0.000000 Mg\n0.401509 0.200754 0.000000 Mg\n0.202952 0.206744 0.000000 Mg\n0.003792 0.206744 0.000000 Mg\n0.800160 0.400080 0.000000 Mg\n0.599920 0.400080 0.000000 Mg\n0.400220 0.400407 0.000000 Mg\n0.000187 0.400408 0.000000 Mg\n0.201850 0.403700 0.000000 Mg\n0.799245 0.598491 0.000000 Mg\n0.599592 0.599779 0.000000 Mg\n0.000187 0.599779 0.000000 Mg\n0.200487 0.600243 0.000000 Mg\n0.399757 0.600244 0.000000 Mg\n0.003792 0.797048 0.000000 Mg\n0.793256 0.797048 0.000000 Mg\n0.596299 0.798150 0.000000 Mg\n0.201850 0.798150 0.000000 Mg\n0.399757 0.799513 0.000000 Mg\n0.202952 0.996208 0.000000 Mg\n0.793256 0.996208 0.000000 Mg\n0.400220 0.999812 0.000000 Mg\n0.599592 0.999812 0.000000 Mg\n0.868802 0.131197 0.163958 Mg\n0.262395 0.131197 0.163958 Mg\n0.868802 0.737605 0.163958 Mg\n0.666666 0.333333 0.166348 Mg\n0.465299 0.132749 0.166454 Mg\n0.667450 0.132749 0.166454 Mg\n0.867251 0.332550 0.166454 Mg\n0.465299 0.332550 0.166454 Mg\n0.667450 0.534701 0.166454 Mg\n0.867251 0.534701 0.166454 Mg\n0.466674 0.533326 0.167232 Mg\n0.066651 0.533326 0.167232 Mg\n0.466674 0.933349 0.167232 Mg\n0.267244 0.534489 0.167499 Mg\n0.465511 0.732755 0.167499 Mg\n0.267244 0.732755 0.167499 Mg\n0.268260 0.336295 0.167845 Mg\n0.068034 0.336295 0.167845 Mg\n0.663705 0.731740 0.167845 Mg\n0.068034 0.731740 0.167845 Mg\n0.268260 0.931965 0.167845 Mg\n0.663705 0.931965 0.167845 Mg\n0.068472 0.136944 0.170681 Mg\n0.863055 0.931528 0.170681 Mg\n0.068472 0.931528 0.170681 Mg\n0.800119 0.199881 0.332773 Mg\n0.399762 0.199881 0.332773 Mg\n0.800119 0.600238 0.332773 Mg\n0.600096 0.200193 0.332913 Mg\n0.600096 0.399903 0.332913 Mg\n0.799807 0.399904 0.332913 Mg\n0.200722 0.000170 0.333612 Mg\n0.799448 0.000170 0.333612 Mg\n0.200722 0.200551 0.333612 Mg\n0.999830 0.200551 0.333612 Mg\n0.999830 0.799278 0.333612 Mg\n0.799448 0.799278 0.333612 Mg\n0.599768 0.000223 0.333745 Mg\n0.400455 0.000223 0.333745 Mg\n0.400455 0.400231 0.333745 Mg\n0.999777 0.400232 0.333745 Mg\n0.599768 0.599545 0.333745 Mg\n0.999777 0.599545 0.333745 Mg\n0.200093 0.600047 0.333981 Mg\n0.399954 0.600047 0.333981 Mg\n0.399954 0.799907 0.333981 Mg\n0.200296 0.400593 0.334212 Mg\n0.200296 0.799703 0.334212 Mg\n0.599407 0.799703 0.334212 Mg\n0.000000 0.000000 0.334563 Mg\n0.266886 0.133443 0.500000 Mg\n0.866557 0.133443 0.500000 Mg\n0.066804 0.133608 0.500000 Mg\n0.667176 0.134365 0.500000 Mg\n0.467189 0.134366 0.500000 Mg\n0.865634 0.332823 0.500000 Mg\n0.467189 0.332824 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266899 0.333585 0.500000 Mg\n0.066685 0.333585 0.500000 Mg\n0.865634 0.532810 0.500000 Mg\n0.667176 0.532811 0.500000 Mg\n0.466907 0.533093 0.500000 Mg\n0.066186 0.533093 0.500000 Mg\n0.266717 0.533434 0.500000 Mg\n0.666415 0.733100 0.500000 Mg\n0.066685 0.733101 0.500000 Mg\n0.866557 0.733114 0.500000 Mg\n0.266717 0.733283 0.500000 Mg\n0.466566 0.733283 0.500000 Mg\n0.866392 0.933196 0.500000 Mg\n0.066804 0.933197 0.500000 Mg\n0.266899 0.933315 0.500000 Mg\n0.666415 0.933315 0.500000 Mg\n0.466907 0.933814 0.500000 Mg\n0.000000 0.000000 0.665437 Mg\n0.200296 0.400593 0.665788 Mg\n0.200296 0.799703 0.665788 Mg\n0.599407 0.799703 0.665788 Mg\n0.200093 0.600047 0.666019 Mg\n0.399954 0.600047 0.666019 Mg\n0.399954 0.799907 0.666019 Mg\n0.599768 0.000223 0.666255 Mg\n0.400455 0.000223 0.666255 Mg\n0.400455 0.400231 0.666255 Mg\n0.999777 0.400232 0.666255 Mg\n0.599768 0.599545 0.666255 Mg\n0.999777 0.599545 0.666255 Mg\n0.200722 0.000170 0.666388 Mg\n0.799448 0.000170 0.666388 Mg\n0.200722 0.200551 0.666388 Mg\n0.999830 0.200551 0.666388 Mg\n0.999830 0.799278 0.666388 Mg\n0.799448 0.799278 0.666388 Mg\n0.600096 0.200193 0.667087 Mg\n0.600096 0.399903 0.667087 Mg\n0.799807 0.399904 0.667087 Mg\n0.800119 0.199881 0.667228 Mg\n0.399762 0.199881 0.667228 Mg\n0.800119 0.600238 0.667228 Mg\n0.068472 0.136944 0.829319 Mg\n0.863055 0.931528 0.829319 Mg\n0.068472 0.931528 0.829319 Mg\n0.268260 0.336295 0.832155 Mg\n0.068034 0.336295 0.832155 Mg\n0.663705 0.731740 0.832155 Mg\n0.068034 0.731740 0.832155 Mg\n0.268260 0.931965 0.832155 Mg\n0.663705 0.931965 0.832155 Mg\n0.267244 0.534489 0.832501 Mg\n0.465511 0.732755 0.832501 Mg\n0.267244 0.732755 0.832501 Mg\n0.466674 0.533326 0.832768 Mg\n0.066651 0.533326 0.832768 Mg\n0.466674 0.933349 0.832768 Mg\n0.465299 0.132749 0.833545 Mg\n0.667450 0.132749 0.833545 Mg\n0.867251 0.332550 0.833545 Mg\n0.465299 0.332550 0.833545 Mg\n0.667450 0.534701 0.833545 Mg\n0.867251 0.534701 0.833545 Mg\n0.666666 0.333333 0.833652 Mg\n0.868802 0.131197 0.836042 Mg\n0.262395 0.131197 0.836042 Mg\n0.868802 0.737605 0.836042 Mg\n0.000000 0.000000 0.000000 Th\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Th"
],
"chemical_system": "Mg-Th",
"density": 1.8555199376612532,
"density_atomic": 0.04349650203773333,
"volume": 3448.553170318721,
"volume_molar": 13.845115073335728,
"formula_full": "Th1 Mg149",
"formula_reduced": "ThMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0049962298277745,
"spacegroup": 187
},
{
"id": "oqmd-31717",
"created_at": "2022-09-04T14:49:01.155542Z",
"updated_at": "2022-09-04T14:49:01.155576Z",
"structure_string": "Mg149 B1\n1.0\n13.757037 -7.942633 0.000000\n0.000000 15.885265 0.000000\n0.000000 0.000000 15.584184\nB Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 B\n0.192582 0.001649 0.000000 Mg\n0.809067 0.001649 0.000000 Mg\n0.192582 0.190934 0.000000 Mg\n0.998352 0.190934 0.000000 Mg\n0.397887 0.198943 0.000000 Mg\n0.801057 0.198944 0.000000 Mg\n0.599886 0.199771 0.000000 Mg\n0.198189 0.396379 0.000000 Mg\n0.398690 0.398701 0.000000 Mg\n0.000000 0.398701 0.000000 Mg\n0.800229 0.400115 0.000000 Mg\n0.599886 0.400115 0.000000 Mg\n0.400178 0.599821 0.000000 Mg\n0.199643 0.599821 0.000000 Mg\n0.000000 0.601310 0.000000 Mg\n0.601300 0.601311 0.000000 Mg\n0.801057 0.602113 0.000000 Mg\n0.400178 0.800357 0.000000 Mg\n0.198189 0.801810 0.000000 Mg\n0.603621 0.801810 0.000000 Mg\n0.809067 0.807418 0.000000 Mg\n0.998352 0.807419 0.000000 Mg\n0.398690 0.000000 0.000000 Mg\n0.601300 0.000000 0.000000 Mg\n0.063791 0.127581 0.159516 Mg\n0.872419 0.936209 0.159516 Mg\n0.063791 0.936209 0.159516 Mg\n0.065751 0.330635 0.165483 Mg\n0.264883 0.330635 0.165483 Mg\n0.065751 0.735117 0.165483 Mg\n0.669366 0.735117 0.165483 Mg\n0.669366 0.934249 0.165483 Mg\n0.264883 0.934249 0.165483 Mg\n0.266145 0.532289 0.165931 Mg\n0.266145 0.733855 0.165931 Mg\n0.467710 0.733855 0.165931 Mg\n0.066490 0.533245 0.166068 Mg\n0.466755 0.533245 0.166068 Mg\n0.466755 0.933509 0.166068 Mg\n0.466635 0.133366 0.166419 Mg\n0.666731 0.133366 0.166419 Mg\n0.866634 0.333269 0.166419 Mg\n0.466635 0.333269 0.166419 Mg\n0.866634 0.533364 0.166419 Mg\n0.666731 0.533365 0.166419 Mg\n0.666667 0.333333 0.166423 Mg\n0.866381 0.133619 0.167051 Mg\n0.267238 0.133619 0.167051 Mg\n0.866381 0.732763 0.167051 Mg\n0.000000 0.000000 0.330591 Mg\n0.000375 0.199135 0.332264 Mg\n0.198761 0.199136 0.332264 Mg\n0.000375 0.801239 0.332264 Mg\n0.800864 0.801239 0.332264 Mg\n0.800864 0.999625 0.332264 Mg\n0.198761 0.999625 0.332264 Mg\n0.199731 0.399462 0.332621 Mg\n0.199731 0.800269 0.332621 Mg\n0.600538 0.800269 0.332621 Mg\n0.000196 0.399584 0.332746 Mg\n0.399388 0.399584 0.332746 Mg\n0.000196 0.600612 0.332746 Mg\n0.600416 0.600612 0.332746 Mg\n0.600416 0.999803 0.332746 Mg\n0.399388 0.999804 0.332746 Mg\n0.399999 0.600000 0.332962 Mg\n0.200002 0.600001 0.332962 Mg\n0.399999 0.799998 0.332962 Mg\n0.599909 0.199818 0.333133 Mg\n0.599909 0.400091 0.333133 Mg\n0.800182 0.400091 0.333133 Mg\n0.800260 0.199739 0.333282 Mg\n0.399479 0.199740 0.333282 Mg\n0.800260 0.600521 0.333282 Mg\n0.066336 0.132672 0.500000 Mg\n0.266174 0.133087 0.500000 Mg\n0.866913 0.133087 0.500000 Mg\n0.666628 0.133245 0.500000 Mg\n0.466617 0.133245 0.500000 Mg\n0.266230 0.332579 0.500000 Mg\n0.066349 0.332579 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866755 0.333372 0.500000 Mg\n0.466617 0.333372 0.500000 Mg\n0.266520 0.533041 0.500000 Mg\n0.066571 0.533285 0.500000 Mg\n0.466715 0.533286 0.500000 Mg\n0.666628 0.533383 0.500000 Mg\n0.866755 0.533383 0.500000 Mg\n0.466959 0.733479 0.500000 Mg\n0.266520 0.733479 0.500000 Mg\n0.066349 0.733770 0.500000 Mg\n0.667421 0.733770 0.500000 Mg\n0.866913 0.733825 0.500000 Mg\n0.466715 0.933429 0.500000 Mg\n0.667421 0.933652 0.500000 Mg\n0.266230 0.933652 0.500000 Mg\n0.066336 0.933664 0.500000 Mg\n0.867328 0.933664 0.500000 Mg\n0.800260 0.199739 0.666718 Mg\n0.399479 0.199740 0.666718 Mg\n0.800260 0.600521 0.666718 Mg\n0.599909 0.199818 0.666867 Mg\n0.599909 0.400091 0.666867 Mg\n0.800182 0.400091 0.666867 Mg\n0.399999 0.600000 0.667038 Mg\n0.200002 0.600001 0.667038 Mg\n0.399999 0.799998 0.667038 Mg\n0.000196 0.399584 0.667254 Mg\n0.399388 0.399584 0.667254 Mg\n0.000196 0.600612 0.667254 Mg\n0.600416 0.600612 0.667254 Mg\n0.600416 0.999803 0.667254 Mg\n0.399388 0.999804 0.667254 Mg\n0.199731 0.399462 0.667379 Mg\n0.199731 0.800269 0.667379 Mg\n0.600538 0.800269 0.667379 Mg\n0.000375 0.199135 0.667736 Mg\n0.198761 0.199136 0.667736 Mg\n0.000375 0.801239 0.667736 Mg\n0.800864 0.801239 0.667736 Mg\n0.800864 0.999625 0.667736 Mg\n0.198761 0.999625 0.667736 Mg\n0.000000 0.000000 0.669409 Mg\n0.866381 0.133619 0.832949 Mg\n0.267238 0.133619 0.832949 Mg\n0.866381 0.732763 0.832949 Mg\n0.666667 0.333333 0.833577 Mg\n0.466635 0.133366 0.833581 Mg\n0.666731 0.133366 0.833581 Mg\n0.866634 0.333269 0.833581 Mg\n0.466635 0.333269 0.833581 Mg\n0.866634 0.533364 0.833581 Mg\n0.666731 0.533365 0.833581 Mg\n0.066490 0.533245 0.833931 Mg\n0.466755 0.533245 0.833931 Mg\n0.466755 0.933509 0.833931 Mg\n0.266145 0.532289 0.834069 Mg\n0.266145 0.733855 0.834069 Mg\n0.467710 0.733855 0.834069 Mg\n0.065751 0.330635 0.834518 Mg\n0.264883 0.330635 0.834518 Mg\n0.065751 0.735117 0.834518 Mg\n0.669366 0.735117 0.834518 Mg\n0.669366 0.934249 0.834518 Mg\n0.264883 0.934249 0.834518 Mg\n0.063791 0.127581 0.840484 Mg\n0.872419 0.936209 0.840484 Mg\n0.063791 0.936209 0.840484 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"B",
"Mg"
],
"chemical_system": "B-Mg",
"density": 1.7710144740378013,
"density_atomic": 0.04404410834893812,
"volume": 3405.6768458480196,
"volume_molar": 13.67297689917973,
"formula_full": "Mg149 B1",
"formula_reduced": "Mg149B",
"formula_anonymous": "AB149",
"formation_energy": 0.0195602923611078,
"spacegroup": 187
}
]
}