HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=6",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=4",
"results": [
{
"id": "oqmd-31723",
"created_at": "2022-09-04T14:49:02.854846Z",
"updated_at": "2022-09-04T14:49:02.854875Z",
"structure_string": "Ca1 Mg149\n1.0\n13.814631 -7.975885 0.000000\n0.000000 15.951769 0.000000\n0.000000 0.000000 15.652889\nCa Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ca\n0.600088 0.200176 0.000000 Mg\n0.400808 0.200404 0.000000 Mg\n0.799596 0.200404 0.000000 Mg\n0.002482 0.206320 0.000000 Mg\n0.203838 0.206320 0.000000 Mg\n0.600088 0.399912 0.000000 Mg\n0.799824 0.399912 0.000000 Mg\n0.000250 0.401010 0.000000 Mg\n0.400761 0.401011 0.000000 Mg\n0.201555 0.403110 0.000000 Mg\n0.799596 0.599192 0.000000 Mg\n0.000250 0.599239 0.000000 Mg\n0.598990 0.599240 0.000000 Mg\n0.200567 0.600283 0.000000 Mg\n0.399717 0.600284 0.000000 Mg\n0.793680 0.796162 0.000000 Mg\n0.002482 0.796162 0.000000 Mg\n0.596890 0.798445 0.000000 Mg\n0.201555 0.798445 0.000000 Mg\n0.399717 0.799433 0.000000 Mg\n0.793680 0.997517 0.000000 Mg\n0.203838 0.997518 0.000000 Mg\n0.400761 0.999750 0.000000 Mg\n0.598990 0.999750 0.000000 Mg\n0.264186 0.132093 0.165185 Mg\n0.867907 0.132093 0.165185 Mg\n0.867907 0.735814 0.165185 Mg\n0.666666 0.333333 0.166348 Mg\n0.465883 0.132984 0.166548 Mg\n0.667101 0.132984 0.166548 Mg\n0.465883 0.332899 0.166548 Mg\n0.867016 0.332899 0.166548 Mg\n0.667101 0.534117 0.166548 Mg\n0.867016 0.534117 0.166548 Mg\n0.066630 0.533315 0.167319 Mg\n0.466685 0.533315 0.167319 Mg\n0.466685 0.933370 0.167319 Mg\n0.267077 0.534154 0.167392 Mg\n0.465847 0.732923 0.167392 Mg\n0.267077 0.732923 0.167392 Mg\n0.267900 0.335532 0.167692 Mg\n0.067633 0.335533 0.167692 Mg\n0.067633 0.732100 0.167692 Mg\n0.664468 0.732100 0.167692 Mg\n0.267900 0.932368 0.167692 Mg\n0.664468 0.932368 0.167692 Mg\n0.068313 0.136626 0.170712 Mg\n0.863374 0.931687 0.170712 Mg\n0.068313 0.931687 0.170712 Mg\n0.399956 0.199978 0.332904 Mg\n0.800022 0.199979 0.332904 Mg\n0.800022 0.600043 0.332904 Mg\n0.600086 0.200171 0.333036 Mg\n0.799829 0.399914 0.333036 Mg\n0.600086 0.399914 0.333036 Mg\n0.400465 0.000235 0.333777 Mg\n0.599769 0.000235 0.333777 Mg\n0.400465 0.400231 0.333777 Mg\n0.999765 0.400231 0.333777 Mg\n0.999765 0.599534 0.333777 Mg\n0.599769 0.599534 0.333777 Mg\n0.199967 0.599983 0.333816 Mg\n0.400016 0.599983 0.333816 Mg\n0.400016 0.800033 0.333816 Mg\n0.200242 0.400484 0.334016 Mg\n0.599517 0.799758 0.334016 Mg\n0.200242 0.799758 0.334016 Mg\n0.799400 0.000157 0.334031 Mg\n0.200758 0.000158 0.334031 Mg\n0.999842 0.200600 0.334031 Mg\n0.200758 0.200601 0.334031 Mg\n0.999842 0.799242 0.334031 Mg\n0.799400 0.799242 0.334031 Mg\n0.000000 0.000000 0.334221 Mg\n0.066771 0.133543 0.500000 Mg\n0.866449 0.133550 0.500000 Mg\n0.267101 0.133550 0.500000 Mg\n0.467013 0.133933 0.500000 Mg\n0.666920 0.133933 0.500000 Mg\n0.467013 0.333080 0.500000 Mg\n0.866067 0.333080 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266905 0.333723 0.500000 Mg\n0.066818 0.333723 0.500000 Mg\n0.866067 0.532987 0.500000 Mg\n0.666920 0.532987 0.500000 Mg\n0.066517 0.533258 0.500000 Mg\n0.466741 0.533258 0.500000 Mg\n0.266808 0.533617 0.500000 Mg\n0.866449 0.732899 0.500000 Mg\n0.666278 0.733094 0.500000 Mg\n0.066818 0.733095 0.500000 Mg\n0.466383 0.733191 0.500000 Mg\n0.266808 0.733192 0.500000 Mg\n0.266905 0.933183 0.500000 Mg\n0.666278 0.933183 0.500000 Mg\n0.866457 0.933228 0.500000 Mg\n0.066771 0.933229 0.500000 Mg\n0.466741 0.933483 0.500000 Mg\n0.000000 0.000000 0.665779 Mg\n0.799400 0.000157 0.665969 Mg\n0.200758 0.000158 0.665969 Mg\n0.999842 0.200600 0.665969 Mg\n0.200758 0.200601 0.665969 Mg\n0.999842 0.799242 0.665969 Mg\n0.799400 0.799242 0.665969 Mg\n0.200242 0.400484 0.665984 Mg\n0.599517 0.799758 0.665984 Mg\n0.200242 0.799758 0.665984 Mg\n0.199967 0.599983 0.666184 Mg\n0.400016 0.599983 0.666184 Mg\n0.400016 0.800033 0.666184 Mg\n0.400465 0.000235 0.666223 Mg\n0.599769 0.000235 0.666223 Mg\n0.400465 0.400231 0.666223 Mg\n0.999765 0.400231 0.666223 Mg\n0.999765 0.599534 0.666223 Mg\n0.599769 0.599534 0.666223 Mg\n0.600086 0.200171 0.666964 Mg\n0.799829 0.399914 0.666964 Mg\n0.600086 0.399914 0.666964 Mg\n0.399956 0.199978 0.667095 Mg\n0.800022 0.199979 0.667095 Mg\n0.800022 0.600043 0.667095 Mg\n0.068313 0.136626 0.829288 Mg\n0.863374 0.931687 0.829288 Mg\n0.068313 0.931687 0.829288 Mg\n0.267900 0.335532 0.832308 Mg\n0.067633 0.335533 0.832308 Mg\n0.067633 0.732100 0.832308 Mg\n0.664468 0.732100 0.832308 Mg\n0.267900 0.932368 0.832308 Mg\n0.664468 0.932368 0.832308 Mg\n0.267077 0.534154 0.832608 Mg\n0.465847 0.732923 0.832608 Mg\n0.267077 0.732923 0.832608 Mg\n0.066630 0.533315 0.832681 Mg\n0.466685 0.533315 0.832681 Mg\n0.466685 0.933370 0.832681 Mg\n0.465883 0.132984 0.833453 Mg\n0.667101 0.132984 0.833453 Mg\n0.465883 0.332899 0.833453 Mg\n0.867016 0.332899 0.833453 Mg\n0.667101 0.534117 0.833453 Mg\n0.867016 0.534117 0.833453 Mg\n0.666666 0.333333 0.833652 Mg\n0.264186 0.132093 0.834815 Mg\n0.867907 0.132093 0.834815 Mg\n0.867907 0.735814 0.834815 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7626586537172648,
"density_atomic": 0.04348591499296512,
"volume": 3449.392752211056,
"volume_molar": 13.84848579355919,
"formula_full": "Ca1 Mg149",
"formula_reduced": "CaMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.000576431294441,
"spacegroup": 187
},
{
"id": "oqmd-31743",
"created_at": "2022-09-04T14:49:01.278179Z",
"updated_at": "2022-09-04T14:49:01.278202Z",
"structure_string": "Mg149 I1\n1.0\n13.811538 -7.974099 0.000000\n0.000000 15.948199 0.000000\n0.000000 0.000000 15.659874\nI Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 I\n0.206976 0.001147 0.000000 Mg\n0.794172 0.001148 0.000000 Mg\n0.799330 0.200670 0.000000 Mg\n0.401340 0.200670 0.000000 Mg\n0.600378 0.200757 0.000000 Mg\n0.998853 0.205828 0.000000 Mg\n0.206976 0.205828 0.000000 Mg\n0.600378 0.399621 0.000000 Mg\n0.799243 0.399621 0.000000 Mg\n0.200051 0.400102 0.000000 Mg\n0.000546 0.402396 0.000000 Mg\n0.401850 0.402396 0.000000 Mg\n0.597603 0.598150 0.000000 Mg\n0.000546 0.598150 0.000000 Mg\n0.799330 0.598661 0.000000 Mg\n0.399650 0.600350 0.000000 Mg\n0.200700 0.600350 0.000000 Mg\n0.794172 0.793024 0.000000 Mg\n0.998853 0.793024 0.000000 Mg\n0.399650 0.799300 0.000000 Mg\n0.200051 0.799949 0.000000 Mg\n0.599898 0.799949 0.000000 Mg\n0.401850 0.999454 0.000000 Mg\n0.597603 0.999454 0.000000 Mg\n0.666667 0.333333 0.166172 Mg\n0.666741 0.133123 0.166266 Mg\n0.466383 0.133124 0.166266 Mg\n0.866877 0.333259 0.166266 Mg\n0.466383 0.333259 0.166266 Mg\n0.666741 0.533618 0.166266 Mg\n0.866877 0.533618 0.166266 Mg\n0.266621 0.533241 0.166493 Mg\n0.466758 0.733379 0.166493 Mg\n0.266621 0.733379 0.166493 Mg\n0.267182 0.333703 0.166839 Mg\n0.066520 0.333703 0.166839 Mg\n0.666297 0.732818 0.166839 Mg\n0.066520 0.732818 0.166839 Mg\n0.267182 0.933480 0.166839 Mg\n0.666297 0.933480 0.166839 Mg\n0.265701 0.132851 0.167019 Mg\n0.867150 0.132851 0.167019 Mg\n0.867150 0.734299 0.167019 Mg\n0.066912 0.533456 0.167139 Mg\n0.466544 0.533456 0.167139 Mg\n0.466544 0.933088 0.167139 Mg\n0.068569 0.137138 0.172399 Mg\n0.068569 0.931431 0.172399 Mg\n0.862861 0.931431 0.172399 Mg\n0.799968 0.200032 0.332837 Mg\n0.400065 0.200032 0.332837 Mg\n0.799968 0.599936 0.332837 Mg\n0.000000 0.000000 0.332856 Mg\n0.199801 0.399602 0.332974 Mg\n0.199801 0.800198 0.332974 Mg\n0.600397 0.800199 0.332974 Mg\n0.600048 0.200097 0.332988 Mg\n0.600048 0.399951 0.332988 Mg\n0.799903 0.399951 0.332988 Mg\n0.399995 0.600005 0.333252 Mg\n0.200010 0.600005 0.333252 Mg\n0.399995 0.799990 0.333252 Mg\n0.400298 0.000000 0.333468 Mg\n0.599792 0.000000 0.333468 Mg\n0.400298 0.400208 0.333468 Mg\n0.000000 0.400208 0.333468 Mg\n0.599792 0.599702 0.333468 Mg\n0.000000 0.599702 0.333468 Mg\n0.799406 0.000305 0.335037 Mg\n0.200899 0.000305 0.335037 Mg\n0.999695 0.200593 0.335037 Mg\n0.200899 0.200594 0.335037 Mg\n0.999695 0.799101 0.335037 Mg\n0.799406 0.799101 0.335037 Mg\n0.066621 0.133242 0.500000 Mg\n0.466834 0.133506 0.500000 Mg\n0.666672 0.133506 0.500000 Mg\n0.866411 0.133589 0.500000 Mg\n0.267177 0.133589 0.500000 Mg\n0.866494 0.333329 0.500000 Mg\n0.466834 0.333329 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266804 0.333771 0.500000 Mg\n0.066967 0.333771 0.500000 Mg\n0.866494 0.533166 0.500000 Mg\n0.666672 0.533166 0.500000 Mg\n0.066911 0.533455 0.500000 Mg\n0.466545 0.533455 0.500000 Mg\n0.266765 0.533531 0.500000 Mg\n0.866411 0.732822 0.500000 Mg\n0.666229 0.733196 0.500000 Mg\n0.066967 0.733196 0.500000 Mg\n0.466469 0.733235 0.500000 Mg\n0.266765 0.733235 0.500000 Mg\n0.666229 0.933033 0.500000 Mg\n0.266804 0.933033 0.500000 Mg\n0.466545 0.933089 0.500000 Mg\n0.066621 0.933379 0.500000 Mg\n0.866758 0.933379 0.500000 Mg\n0.799406 0.000305 0.664963 Mg\n0.200899 0.000305 0.664963 Mg\n0.999695 0.200593 0.664963 Mg\n0.200899 0.200594 0.664963 Mg\n0.999695 0.799101 0.664963 Mg\n0.799406 0.799101 0.664963 Mg\n0.400298 0.000000 0.666532 Mg\n0.599792 0.000000 0.666532 Mg\n0.400298 0.400208 0.666532 Mg\n0.000000 0.400208 0.666532 Mg\n0.599792 0.599702 0.666532 Mg\n0.000000 0.599702 0.666532 Mg\n0.399995 0.600005 0.666747 Mg\n0.200010 0.600005 0.666747 Mg\n0.399995 0.799990 0.666747 Mg\n0.600048 0.200097 0.667012 Mg\n0.600048 0.399951 0.667012 Mg\n0.799903 0.399951 0.667012 Mg\n0.199801 0.399602 0.667026 Mg\n0.199801 0.800198 0.667026 Mg\n0.600397 0.800199 0.667026 Mg\n0.000000 0.000000 0.667144 Mg\n0.799968 0.200032 0.667162 Mg\n0.400065 0.200032 0.667162 Mg\n0.799968 0.599936 0.667162 Mg\n0.068569 0.137138 0.827601 Mg\n0.068569 0.931431 0.827601 Mg\n0.862861 0.931431 0.827601 Mg\n0.066912 0.533456 0.832860 Mg\n0.466544 0.533456 0.832860 Mg\n0.466544 0.933088 0.832860 Mg\n0.265701 0.132851 0.832981 Mg\n0.867150 0.132851 0.832981 Mg\n0.867150 0.734299 0.832981 Mg\n0.267182 0.333703 0.833161 Mg\n0.066520 0.333703 0.833161 Mg\n0.666297 0.732818 0.833161 Mg\n0.066520 0.732818 0.833161 Mg\n0.267182 0.933480 0.833161 Mg\n0.666297 0.933480 0.833161 Mg\n0.266621 0.533241 0.833507 Mg\n0.466758 0.733379 0.833507 Mg\n0.266621 0.733379 0.833507 Mg\n0.666741 0.133123 0.833734 Mg\n0.466383 0.133124 0.833734 Mg\n0.866877 0.333259 0.833734 Mg\n0.466383 0.333259 0.833734 Mg\n0.666741 0.533618 0.833734 Mg\n0.866877 0.533618 0.833734 Mg\n0.666667 0.333333 0.833828 Mg\n",
"nsites": 150,
"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-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",
"formula_reduced": "EuMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0019507778944409,
"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-31747",
"created_at": "2022-09-04T14:49:00.988886Z",
"updated_at": "2022-09-04T14:49:00.988914Z",
"structure_string": "La1 Mg149\n1.0\n13.833592 -7.986832 0.000000\n0.000000 15.973664 0.000000\n0.000000 0.000000 15.631812\nLa Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 La\n0.600018 0.200037 0.000000 Mg\n0.401650 0.200825 0.000000 Mg\n0.799175 0.200825 0.000000 Mg\n0.204072 0.207867 0.000000 Mg\n0.003796 0.207868 0.000000 Mg\n0.799964 0.399982 0.000000 Mg\n0.600018 0.399982 0.000000 Mg\n0.000263 0.400951 0.000000 Mg\n0.400688 0.400951 0.000000 Mg\n0.201983 0.403966 0.000000 Mg\n0.799175 0.598350 0.000000 Mg\n0.000263 0.599312 0.000000 Mg\n0.599049 0.599312 0.000000 Mg\n0.399666 0.600334 0.000000 Mg\n0.200669 0.600334 0.000000 Mg\n0.792133 0.795928 0.000000 Mg\n0.003796 0.795929 0.000000 Mg\n0.596034 0.798017 0.000000 Mg\n0.201983 0.798017 0.000000 Mg\n0.399666 0.799331 0.000000 Mg\n0.792133 0.996204 0.000000 Mg\n0.204072 0.996205 0.000000 Mg\n0.599049 0.999736 0.000000 Mg\n0.400688 0.999737 0.000000 Mg\n0.868872 0.131127 0.164094 Mg\n0.262256 0.131128 0.164094 Mg\n0.868872 0.737745 0.164094 Mg\n0.666667 0.333334 0.166259 Mg\n0.465252 0.132716 0.166455 Mg\n0.667464 0.132716 0.166455 Mg\n0.867284 0.332535 0.166455 Mg\n0.465252 0.332536 0.166455 Mg\n0.667464 0.534748 0.166455 Mg\n0.867284 0.534748 0.166455 Mg\n0.066654 0.533327 0.167355 Mg\n0.466673 0.533328 0.167355 Mg\n0.466673 0.933345 0.167355 Mg\n0.267231 0.534463 0.167437 Mg\n0.267231 0.732768 0.167437 Mg\n0.465537 0.732768 0.167437 Mg\n0.068076 0.336511 0.167947 Mg\n0.268435 0.336511 0.167947 Mg\n0.068076 0.731565 0.167947 Mg\n0.663489 0.731565 0.167947 Mg\n0.268435 0.931924 0.167947 Mg\n0.663489 0.931924 0.167947 Mg\n0.068833 0.137666 0.171748 Mg\n0.862334 0.931167 0.171748 Mg\n0.068833 0.931167 0.171748 Mg\n0.399787 0.199893 0.332733 Mg\n0.800107 0.199894 0.332733 Mg\n0.800107 0.600213 0.332733 Mg\n0.600080 0.200160 0.332891 Mg\n0.600080 0.399920 0.332891 Mg\n0.799840 0.399920 0.332891 Mg\n0.400546 0.000204 0.333776 Mg\n0.599658 0.000204 0.333776 Mg\n0.400546 0.400342 0.333776 Mg\n0.999797 0.400343 0.333776 Mg\n0.599658 0.599454 0.333776 Mg\n0.999797 0.599454 0.333776 Mg\n0.200098 0.600049 0.333841 Mg\n0.399951 0.600050 0.333841 Mg\n0.399951 0.799902 0.333841 Mg\n0.200978 0.000218 0.334107 Mg\n0.799240 0.000218 0.334107 Mg\n0.200978 0.200760 0.334107 Mg\n0.999782 0.200761 0.334107 Mg\n0.999782 0.799022 0.334107 Mg\n0.799240 0.799022 0.334107 Mg\n0.200289 0.400577 0.334128 Mg\n0.200289 0.799711 0.334128 Mg\n0.599423 0.799712 0.334128 Mg\n0.000000 0.000000 0.334472 Mg\n0.866497 0.133502 0.500000 Mg\n0.267005 0.133503 0.500000 Mg\n0.066778 0.133556 0.500000 Mg\n0.667109 0.134243 0.500000 Mg\n0.467133 0.134243 0.500000 Mg\n0.467133 0.332890 0.500000 Mg\n0.865757 0.332890 0.500000 Mg\n0.666667 0.333334 0.500000 Mg\n0.266946 0.333739 0.500000 Mg\n0.066793 0.333739 0.500000 Mg\n0.667109 0.532867 0.500000 Mg\n0.865757 0.532867 0.500000 Mg\n0.066337 0.533168 0.500000 Mg\n0.466832 0.533169 0.500000 Mg\n0.266781 0.533562 0.500000 Mg\n0.866497 0.732995 0.500000 Mg\n0.666261 0.733054 0.500000 Mg\n0.066793 0.733054 0.500000 Mg\n0.266781 0.733218 0.500000 Mg\n0.466438 0.733219 0.500000 Mg\n0.266946 0.933207 0.500000 Mg\n0.666261 0.933207 0.500000 Mg\n0.066778 0.933221 0.500000 Mg\n0.866443 0.933221 0.500000 Mg\n0.466832 0.933663 0.500000 Mg\n0.000000 0.000000 0.665527 Mg\n0.200289 0.400577 0.665872 Mg\n0.200289 0.799711 0.665872 Mg\n0.599423 0.799712 0.665872 Mg\n0.200978 0.000218 0.665893 Mg\n0.799240 0.000218 0.665893 Mg\n0.200978 0.200760 0.665893 Mg\n0.999782 0.200761 0.665893 Mg\n0.999782 0.799022 0.665893 Mg\n0.799240 0.799022 0.665893 Mg\n0.200098 0.600049 0.666159 Mg\n0.399951 0.600050 0.666159 Mg\n0.399951 0.799902 0.666159 Mg\n0.400546 0.000204 0.666223 Mg\n0.599658 0.000204 0.666223 Mg\n0.400546 0.400342 0.666223 Mg\n0.999797 0.400343 0.666223 Mg\n0.599658 0.599454 0.666223 Mg\n0.999797 0.599454 0.666223 Mg\n0.600080 0.200160 0.667109 Mg\n0.600080 0.399920 0.667109 Mg\n0.799840 0.399920 0.667109 Mg\n0.399787 0.199893 0.667267 Mg\n0.800107 0.199894 0.667267 Mg\n0.800107 0.600213 0.667267 Mg\n0.068833 0.137666 0.828251 Mg\n0.862334 0.931167 0.828251 Mg\n0.068833 0.931167 0.828251 Mg\n0.068076 0.336511 0.832053 Mg\n0.268435 0.336511 0.832053 Mg\n0.068076 0.731565 0.832053 Mg\n0.663489 0.731565 0.832053 Mg\n0.268435 0.931924 0.832053 Mg\n0.663489 0.931924 0.832053 Mg\n0.267231 0.534463 0.832562 Mg\n0.267231 0.732768 0.832562 Mg\n0.465537 0.732768 0.832562 Mg\n0.066654 0.533327 0.832646 Mg\n0.466673 0.533328 0.832646 Mg\n0.466673 0.933345 0.832646 Mg\n0.465252 0.132716 0.833545 Mg\n0.667464 0.132716 0.833545 Mg\n0.867284 0.332535 0.833545 Mg\n0.465252 0.332536 0.833545 Mg\n0.667464 0.534748 0.833545 Mg\n0.867284 0.534748 0.833545 Mg\n0.666667 0.333334 0.833741 Mg\n0.868872 0.131127 0.835906 Mg\n0.262256 0.131128 0.835906 Mg\n0.868872 0.737745 0.835906 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"La",
"Mg"
],
"chemical_system": "La-Mg",
"density": 1.807709291271684,
"density_atomic": 0.043425260075399236,
"volume": 3454.210745993349,
"volume_molar": 13.867828884717703,
"formula_full": "La1 Mg149",
"formula_reduced": "LaMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0013241632944412,
"spacegroup": 187
},
{
"id": "oqmd-31738",
"created_at": "2022-09-04T15:15:52.049097Z",
"updated_at": "2022-09-04T15:15:52.049130Z",
"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",
"nsites": 150,
"nelements": 2,
"elements": [
"Ge",
"Mg"
],
"chemical_system": "Ge-Mg",
"density": 1.794379212260593,
"density_atomic": 0.04387827106083997,
"volume": 3418.5485520159996,
"volume_molar": 13.724653716756354,
"formula_full": "Mg149 Ge1",
"formula_reduced": "Mg149Ge",
"formula_anonymous": "AB149",
"formation_energy": -0.0006212785388923,
"spacegroup": 187
},
{
"id": "oqmd-31737",
"created_at": "2022-09-04T14:49:00.191655Z",
"updated_at": "2022-09-04T14:49:00.191681Z",
"structure_string": "Gd1 Mg149\n1.0\n13.819318 -7.978591 0.000000\n0.000000 15.957182 0.000000\n0.000000 0.000000 15.627845\nGd Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Gd\n0.599901 0.199801 0.000000 Mg\n0.799412 0.200588 0.000000 Mg\n0.401175 0.200588 0.000000 Mg\n0.201548 0.204586 0.000000 Mg\n0.003039 0.204587 0.000000 Mg\n0.399903 0.400063 0.000000 Mg\n0.000160 0.400063 0.000000 Mg\n0.599901 0.400100 0.000000 Mg\n0.800199 0.400100 0.000000 Mg\n0.201506 0.403012 0.000000 Mg\n0.799412 0.598825 0.000000 Mg\n0.000160 0.600096 0.000000 Mg\n0.599936 0.600096 0.000000 Mg\n0.200432 0.600216 0.000000 Mg\n0.399785 0.600216 0.000000 Mg\n0.795413 0.798452 0.000000 Mg\n0.003039 0.798452 0.000000 Mg\n0.596988 0.798494 0.000000 Mg\n0.201506 0.798494 0.000000 Mg\n0.399785 0.799569 0.000000 Mg\n0.795413 0.996962 0.000000 Mg\n0.201548 0.996962 0.000000 Mg\n0.399903 0.999840 0.000000 Mg\n0.599936 0.999840 0.000000 Mg\n0.263399 0.131699 0.164588 Mg\n0.868300 0.131700 0.164588 Mg\n0.868300 0.736601 0.164588 Mg\n0.666667 0.333333 0.166269 Mg\n0.667339 0.132799 0.166482 Mg\n0.465461 0.132800 0.166482 Mg\n0.465461 0.332661 0.166482 Mg\n0.867201 0.332661 0.166482 Mg\n0.867201 0.534539 0.166482 Mg\n0.667339 0.534540 0.166482 Mg\n0.066590 0.533295 0.167190 Mg\n0.466705 0.533295 0.167190 Mg\n0.466705 0.933410 0.167190 Mg\n0.267122 0.534245 0.167411 Mg\n0.465756 0.732878 0.167411 Mg\n0.267122 0.732878 0.167411 Mg\n0.267855 0.335728 0.167632 Mg\n0.067873 0.335729 0.167632 Mg\n0.664272 0.732144 0.167632 Mg\n0.067873 0.732144 0.167632 Mg\n0.267855 0.932127 0.167632 Mg\n0.664272 0.932127 0.167632 Mg\n0.067715 0.135431 0.169291 Mg\n0.864569 0.932284 0.169291 Mg\n0.067715 0.932284 0.169291 Mg\n0.800100 0.199900 0.332899 Mg\n0.399799 0.199900 0.332899 Mg\n0.800100 0.600201 0.332899 Mg\n0.600059 0.200119 0.332929 Mg\n0.600059 0.399940 0.332929 Mg\n0.799881 0.399941 0.332929 Mg\n0.200459 0.000000 0.333432 Mg\n0.799590 0.000000 0.333432 Mg\n0.200459 0.200410 0.333432 Mg\n0.000000 0.200410 0.333432 Mg\n0.799590 0.799540 0.333432 Mg\n0.000000 0.799541 0.333432 Mg\n0.599827 0.000199 0.333666 Mg\n0.400372 0.000200 0.333666 Mg\n0.400372 0.400173 0.333666 Mg\n0.999800 0.400173 0.333666 Mg\n0.999800 0.599628 0.333666 Mg\n0.599827 0.599628 0.333666 Mg\n0.200027 0.600014 0.333891 Mg\n0.399986 0.600014 0.333891 Mg\n0.399986 0.799973 0.333891 Mg\n0.200290 0.400580 0.334111 Mg\n0.599420 0.799710 0.334111 Mg\n0.200290 0.799710 0.334111 Mg\n0.000000 0.000000 0.334454 Mg\n0.266853 0.133426 0.500000 Mg\n0.866574 0.133426 0.500000 Mg\n0.066777 0.133553 0.500000 Mg\n0.467131 0.134217 0.500000 Mg\n0.667086 0.134217 0.500000 Mg\n0.467131 0.332914 0.500000 Mg\n0.865783 0.332914 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066673 0.333511 0.500000 Mg\n0.266838 0.333511 0.500000 Mg\n0.865783 0.532869 0.500000 Mg\n0.667086 0.532869 0.500000 Mg\n0.066221 0.533110 0.500000 Mg\n0.466889 0.533111 0.500000 Mg\n0.266725 0.533450 0.500000 Mg\n0.866574 0.733148 0.500000 Mg\n0.066673 0.733162 0.500000 Mg\n0.666489 0.733162 0.500000 Mg\n0.466550 0.733275 0.500000 Mg\n0.266725 0.733275 0.500000 Mg\n0.866447 0.933223 0.500000 Mg\n0.066777 0.933223 0.500000 Mg\n0.666489 0.933327 0.500000 Mg\n0.266838 0.933327 0.500000 Mg\n0.466889 0.933779 0.500000 Mg\n0.000000 0.000000 0.665545 Mg\n0.200290 0.400580 0.665889 Mg\n0.599420 0.799710 0.665889 Mg\n0.200290 0.799710 0.665889 Mg\n0.200027 0.600014 0.666110 Mg\n0.399986 0.600014 0.666110 Mg\n0.399986 0.799973 0.666110 Mg\n0.599827 0.000199 0.666334 Mg\n0.400372 0.000200 0.666334 Mg\n0.400372 0.400173 0.666334 Mg\n0.999800 0.400173 0.666334 Mg\n0.999800 0.599628 0.666334 Mg\n0.599827 0.599628 0.666334 Mg\n0.200459 0.000000 0.666569 Mg\n0.799590 0.000000 0.666569 Mg\n0.200459 0.200410 0.666569 Mg\n0.000000 0.200410 0.666569 Mg\n0.799590 0.799540 0.666569 Mg\n0.000000 0.799541 0.666569 Mg\n0.600059 0.200119 0.667071 Mg\n0.600059 0.399940 0.667071 Mg\n0.799881 0.399941 0.667071 Mg\n0.800100 0.199900 0.667101 Mg\n0.399799 0.199900 0.667101 Mg\n0.800100 0.600201 0.667101 Mg\n0.067715 0.135431 0.830710 Mg\n0.864569 0.932284 0.830710 Mg\n0.067715 0.932284 0.830710 Mg\n0.267855 0.335728 0.832368 Mg\n0.067873 0.335729 0.832368 Mg\n0.664272 0.732144 0.832368 Mg\n0.067873 0.732144 0.832368 Mg\n0.267855 0.932127 0.832368 Mg\n0.664272 0.932127 0.832368 Mg\n0.267122 0.534245 0.832589 Mg\n0.465756 0.732878 0.832589 Mg\n0.267122 0.732878 0.832589 Mg\n0.066590 0.533295 0.832810 Mg\n0.466705 0.533295 0.832810 Mg\n0.466705 0.933410 0.832810 Mg\n0.667339 0.132799 0.833517 Mg\n0.465461 0.132800 0.833517 Mg\n0.465461 0.332661 0.833517 Mg\n0.867201 0.332661 0.833517 Mg\n0.867201 0.534539 0.833517 Mg\n0.667339 0.534540 0.833517 Mg\n0.666667 0.333333 0.833731 Mg\n0.263399 0.131699 0.835411 Mg\n0.868300 0.131700 0.835411 Mg\n0.868300 0.736601 0.835411 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Gd",
"Mg"
],
"chemical_system": "Gd-Mg",
"density": 1.8207446068484867,
"density_atomic": 0.043526059847017184,
"volume": 3446.21131632891,
"volume_molar": 13.835713090425054,
"formula_full": "Gd1 Mg149",
"formula_reduced": "GdMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0001119967777744,
"spacegroup": 187
},
{
"id": "oqmd-31756",
"created_at": "2022-09-04T14:49:00.540081Z",
"updated_at": "2022-09-04T14:49:00.540105Z",
"structure_string": "Nd1 Mg149\n1.0\n13.826533 -7.982756 0.000000\n0.000000 15.965512 0.000000\n0.000000 0.000000 15.626301\nMg Nd\n149 1\ndirect\n0.599978 0.199957 0.000000 Mg\n0.401339 0.200670 0.000000 Mg\n0.799331 0.200670 0.000000 Mg\n0.003413 0.206073 0.000000 Mg\n0.202660 0.206073 0.000000 Mg\n0.599978 0.400021 0.000000 Mg\n0.800043 0.400021 0.000000 Mg\n0.400159 0.400344 0.000000 Mg\n0.000186 0.400344 0.000000 Mg\n0.201755 0.403509 0.000000 Mg\n0.799331 0.598660 0.000000 Mg\n0.000186 0.599841 0.000000 Mg\n0.599656 0.599841 0.000000 Mg\n0.399718 0.600283 0.000000 Mg\n0.200565 0.600283 0.000000 Mg\n0.003413 0.797340 0.000000 Mg\n0.793927 0.797340 0.000000 Mg\n0.201755 0.798246 0.000000 Mg\n0.596491 0.798246 0.000000 Mg\n0.399718 0.799435 0.000000 Mg\n0.793927 0.996587 0.000000 Mg\n0.202660 0.996587 0.000000 Mg\n0.599656 0.999814 0.000000 Mg\n0.400159 0.999815 0.000000 Mg\n0.262869 0.131435 0.164359 Mg\n0.868566 0.131435 0.164359 Mg\n0.868566 0.737131 0.164359 Mg\n0.666667 0.333333 0.166292 Mg\n0.465333 0.132744 0.166483 Mg\n0.667411 0.132744 0.166483 Mg\n0.867256 0.332589 0.166483 Mg\n0.465333 0.332589 0.166483 Mg\n0.667411 0.534667 0.166483 Mg\n0.867256 0.534667 0.166483 Mg\n0.466693 0.533307 0.167331 Mg\n0.066615 0.533308 0.167331 Mg\n0.466693 0.933385 0.167331 Mg\n0.267201 0.534402 0.167478 Mg\n0.267201 0.732799 0.167478 Mg\n0.465598 0.732799 0.167478 Mg\n0.068008 0.336123 0.167802 Mg\n0.268116 0.336123 0.167802 Mg\n0.068008 0.731884 0.167802 Mg\n0.663877 0.731884 0.167802 Mg\n0.663877 0.931993 0.167802 Mg\n0.268116 0.931993 0.167802 Mg\n0.068205 0.136411 0.170402 Mg\n0.068205 0.931794 0.170402 Mg\n0.863590 0.931795 0.170402 Mg\n0.800070 0.199930 0.332829 Mg\n0.399859 0.199930 0.332829 Mg\n0.800070 0.600141 0.332829 Mg\n0.600085 0.200169 0.332922 Mg\n0.799831 0.399916 0.332922 Mg\n0.600085 0.399916 0.332922 Mg\n0.200682 0.000000 0.333684 Mg\n0.799404 0.000000 0.333684 Mg\n0.000000 0.200595 0.333684 Mg\n0.200682 0.200596 0.333684 Mg\n0.799404 0.799318 0.333684 Mg\n0.000000 0.799318 0.333684 Mg\n0.599721 0.000213 0.333758 Mg\n0.400492 0.000213 0.333758 Mg\n0.400492 0.400279 0.333758 Mg\n0.999787 0.400279 0.333758 Mg\n0.999787 0.599508 0.333758 Mg\n0.599721 0.599508 0.333758 Mg\n0.399958 0.600042 0.333897 Mg\n0.200085 0.600043 0.333897 Mg\n0.399958 0.799915 0.333897 Mg\n0.200321 0.400641 0.334160 Mg\n0.200321 0.799679 0.334160 Mg\n0.599359 0.799680 0.334160 Mg\n0.000000 0.000000 0.334468 Mg\n0.866504 0.133495 0.500000 Mg\n0.266991 0.133496 0.500000 Mg\n0.066790 0.133581 0.500000 Mg\n0.467165 0.134276 0.500000 Mg\n0.667112 0.134277 0.500000 Mg\n0.865723 0.332888 0.500000 Mg\n0.467165 0.332888 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266916 0.333689 0.500000 Mg\n0.066774 0.333690 0.500000 Mg\n0.865723 0.532835 0.500000 Mg\n0.667112 0.532836 0.500000 Mg\n0.466859 0.533141 0.500000 Mg\n0.066282 0.533141 0.500000 Mg\n0.266764 0.533528 0.500000 Mg\n0.866504 0.733009 0.500000 Mg\n0.666310 0.733084 0.500000 Mg\n0.066774 0.733084 0.500000 Mg\n0.266764 0.733236 0.500000 Mg\n0.466472 0.733236 0.500000 Mg\n0.066790 0.933210 0.500000 Mg\n0.866420 0.933210 0.500000 Mg\n0.666310 0.933226 0.500000 Mg\n0.266916 0.933226 0.500000 Mg\n0.466859 0.933718 0.500000 Mg\n0.000000 0.000000 0.665532 Mg\n0.200321 0.400641 0.665840 Mg\n0.200321 0.799679 0.665840 Mg\n0.599359 0.799680 0.665840 Mg\n0.399958 0.600042 0.666103 Mg\n0.200085 0.600043 0.666103 Mg\n0.399958 0.799915 0.666103 Mg\n0.599721 0.000213 0.666242 Mg\n0.400492 0.000213 0.666242 Mg\n0.400492 0.400279 0.666242 Mg\n0.999787 0.400279 0.666242 Mg\n0.999787 0.599508 0.666242 Mg\n0.599721 0.599508 0.666242 Mg\n0.200682 0.000000 0.666316 Mg\n0.799404 0.000000 0.666316 Mg\n0.000000 0.200595 0.666316 Mg\n0.200682 0.200596 0.666316 Mg\n0.799404 0.799318 0.666316 Mg\n0.000000 0.799318 0.666316 Mg\n0.600085 0.200169 0.667078 Mg\n0.799831 0.399916 0.667078 Mg\n0.600085 0.399916 0.667078 Mg\n0.800070 0.199930 0.667171 Mg\n0.399859 0.199930 0.667171 Mg\n0.800070 0.600141 0.667171 Mg\n0.068205 0.136411 0.829597 Mg\n0.068205 0.931794 0.829597 Mg\n0.863590 0.931795 0.829597 Mg\n0.068008 0.336123 0.832198 Mg\n0.268116 0.336123 0.832198 Mg\n0.068008 0.731884 0.832198 Mg\n0.663877 0.731884 0.832198 Mg\n0.663877 0.931993 0.832198 Mg\n0.268116 0.931993 0.832198 Mg\n0.267201 0.534402 0.832522 Mg\n0.267201 0.732799 0.832522 Mg\n0.465598 0.732799 0.832522 Mg\n0.466693 0.533307 0.832669 Mg\n0.066615 0.533308 0.832669 Mg\n0.466693 0.933385 0.832669 Mg\n0.465333 0.132744 0.833517 Mg\n0.667411 0.132744 0.833517 Mg\n0.867256 0.332589 0.833517 Mg\n0.465333 0.332589 0.833517 Mg\n0.667411 0.534667 0.833517 Mg\n0.867256 0.534667 0.833517 Mg\n0.666667 0.333333 0.833708 Mg\n0.262869 0.131435 0.835641 Mg\n0.868566 0.131435 0.835641 Mg\n0.868566 0.737131 0.835641 Mg\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Nd"
],
"chemical_system": "Mg-Nd",
"density": 1.8127628229077652,
"density_atomic": 0.0434849453279764,
"volume": 3449.4696697593927,
"volume_molar": 13.84879459909452,
"formula_full": "Nd1 Mg149",
"formula_reduced": "NdMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0003116161277745,
"spacegroup": 187
},
{
"id": "oqmd-31736",
"created_at": "2022-09-04T14:49:00.370538Z",
"updated_at": "2022-09-04T14:49:00.370564Z",
"structure_string": "Mg149 Ga1\n1.0\n13.767625 -7.948746 0.000000\n0.000000 15.897492 0.000000\n0.000000 0.000000 15.618727\nGa Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ga\n0.197713 0.000784 0.000000 Mg\n0.803070 0.000784 0.000000 Mg\n0.197713 0.196929 0.000000 Mg\n0.999216 0.196929 0.000000 Mg\n0.399253 0.199627 0.000000 Mg\n0.800373 0.199627 0.000000 Mg\n0.599952 0.199903 0.000000 Mg\n0.199192 0.398383 0.000000 Mg\n0.399463 0.399535 0.000000 Mg\n0.000000 0.399535 0.000000 Mg\n0.599952 0.400048 0.000000 Mg\n0.800097 0.400048 0.000000 Mg\n0.199793 0.599897 0.000000 Mg\n0.400103 0.599897 0.000000 Mg\n0.600465 0.600537 0.000000 Mg\n0.000000 0.600537 0.000000 Mg\n0.800373 0.600747 0.000000 Mg\n0.400103 0.800207 0.000000 Mg\n0.199192 0.800808 0.000000 Mg\n0.601616 0.800808 0.000000 Mg\n0.803070 0.802286 0.000000 Mg\n0.999216 0.802287 0.000000 Mg\n0.399463 0.000000 0.000000 Mg\n0.600465 0.000000 0.000000 Mg\n0.065726 0.131452 0.164529 Mg\n0.868548 0.934274 0.164529 Mg\n0.065726 0.934274 0.164529 Mg\n0.265864 0.332185 0.166228 Mg\n0.066322 0.332185 0.166228 Mg\n0.066322 0.734136 0.166228 Mg\n0.667815 0.734136 0.166228 Mg\n0.265864 0.933678 0.166228 Mg\n0.667815 0.933679 0.166228 Mg\n0.666638 0.133289 0.166523 Mg\n0.466651 0.133290 0.166523 Mg\n0.466651 0.333362 0.166523 Mg\n0.866710 0.333362 0.166523 Mg\n0.866710 0.533348 0.166523 Mg\n0.666638 0.533349 0.166523 Mg\n0.666667 0.333333 0.166539 Mg\n0.466654 0.533345 0.166541 Mg\n0.066691 0.533346 0.166541 Mg\n0.466654 0.933309 0.166541 Mg\n0.266456 0.532913 0.166605 Mg\n0.266456 0.733544 0.166605 Mg\n0.467087 0.733544 0.166605 Mg\n0.866435 0.133564 0.167176 Mg\n0.267130 0.133565 0.167176 Mg\n0.866435 0.732870 0.167176 Mg\n0.000000 0.000000 0.332425 Mg\n0.000193 0.199687 0.332975 Mg\n0.199493 0.199687 0.332975 Mg\n0.800313 0.800506 0.332975 Mg\n0.000193 0.800507 0.332975 Mg\n0.199493 0.999806 0.332975 Mg\n0.800313 0.999806 0.332975 Mg\n0.199899 0.399798 0.333110 Mg\n0.199899 0.800101 0.333110 Mg\n0.600202 0.800101 0.333110 Mg\n0.600256 0.000000 0.333164 Mg\n0.399760 0.000000 0.333164 Mg\n0.000000 0.399744 0.333164 Mg\n0.399760 0.399744 0.333164 Mg\n0.000000 0.600239 0.333164 Mg\n0.600256 0.600240 0.333164 Mg\n0.599995 0.199991 0.333213 Mg\n0.599995 0.400005 0.333213 Mg\n0.800009 0.400005 0.333213 Mg\n0.800069 0.199931 0.333304 Mg\n0.399863 0.199931 0.333304 Mg\n0.800069 0.600138 0.333304 Mg\n0.199997 0.599999 0.333400 Mg\n0.400001 0.599999 0.333400 Mg\n0.400001 0.800002 0.333400 Mg\n0.066537 0.133073 0.500000 Mg\n0.866732 0.133268 0.500000 Mg\n0.266537 0.133268 0.500000 Mg\n0.466781 0.133398 0.500000 Mg\n0.666617 0.133398 0.500000 Mg\n0.066505 0.333069 0.500000 Mg\n0.266565 0.333069 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866603 0.333384 0.500000 Mg\n0.466781 0.333384 0.500000 Mg\n0.866603 0.533219 0.500000 Mg\n0.666617 0.533219 0.500000 Mg\n0.266643 0.533286 0.500000 Mg\n0.066574 0.533287 0.500000 Mg\n0.466713 0.533287 0.500000 Mg\n0.466714 0.733357 0.500000 Mg\n0.266643 0.733358 0.500000 Mg\n0.666931 0.733435 0.500000 Mg\n0.066505 0.733435 0.500000 Mg\n0.866732 0.733464 0.500000 Mg\n0.466713 0.933425 0.500000 Mg\n0.866927 0.933464 0.500000 Mg\n0.066537 0.933464 0.500000 Mg\n0.266565 0.933496 0.500000 Mg\n0.666931 0.933496 0.500000 Mg\n0.199997 0.599999 0.666599 Mg\n0.400001 0.599999 0.666599 Mg\n0.400001 0.800002 0.666599 Mg\n0.800069 0.199931 0.666696 Mg\n0.399863 0.199931 0.666696 Mg\n0.800069 0.600138 0.666696 Mg\n0.599995 0.199991 0.666787 Mg\n0.599995 0.400005 0.666787 Mg\n0.800009 0.400005 0.666787 Mg\n0.600256 0.000000 0.666836 Mg\n0.399760 0.000000 0.666836 Mg\n0.000000 0.399744 0.666836 Mg\n0.399760 0.399744 0.666836 Mg\n0.000000 0.600239 0.666836 Mg\n0.600256 0.600240 0.666836 Mg\n0.199899 0.399798 0.666890 Mg\n0.199899 0.800101 0.666890 Mg\n0.600202 0.800101 0.666890 Mg\n0.000193 0.199687 0.667025 Mg\n0.199493 0.199687 0.667025 Mg\n0.800313 0.800506 0.667025 Mg\n0.000193 0.800507 0.667025 Mg\n0.199493 0.999806 0.667025 Mg\n0.800313 0.999806 0.667025 Mg\n0.000000 0.000000 0.667575 Mg\n0.866435 0.133564 0.832824 Mg\n0.267130 0.133565 0.832824 Mg\n0.866435 0.732870 0.832824 Mg\n0.266456 0.532913 0.833395 Mg\n0.266456 0.733544 0.833395 Mg\n0.467087 0.733544 0.833395 Mg\n0.466654 0.533345 0.833459 Mg\n0.066691 0.533346 0.833459 Mg\n0.466654 0.933309 0.833459 Mg\n0.666667 0.333333 0.833461 Mg\n0.666638 0.133289 0.833476 Mg\n0.466651 0.133290 0.833476 Mg\n0.466651 0.333362 0.833476 Mg\n0.866710 0.333362 0.833476 Mg\n0.866710 0.533348 0.833476 Mg\n0.666638 0.533349 0.833476 Mg\n0.265864 0.332185 0.833772 Mg\n0.066322 0.332185 0.833772 Mg\n0.066322 0.734136 0.833772 Mg\n0.667815 0.734136 0.833772 Mg\n0.265864 0.933678 0.833772 Mg\n0.667815 0.933679 0.833772 Mg\n0.065726 0.131452 0.835471 Mg\n0.868548 0.934274 0.835471 Mg\n0.065726 0.934274 0.835471 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ga",
"Mg"
],
"chemical_system": "Ga-Mg",
"density": 1.7929972865582475,
"density_atomic": 0.04387912733455889,
"volume": 3418.4818411796687,
"volume_molar": 13.724385888725287,
"formula_full": "Mg149 Ga1",
"formula_reduced": "Mg149Ga",
"formula_anonymous": "AB149",
"formation_energy": -0.001209223538892,
"spacegroup": 187
},
{
"id": "oqmd-31751",
"created_at": "2022-09-04T14:49:00.816900Z",
"updated_at": "2022-09-04T14:49:00.816928Z",
"structure_string": "Mg149 Mn1\n1.0\n13.771392 -7.950920 0.000000\n0.000000 15.901841 0.000000\n0.000000 0.000000 15.586468\nMg Mn\n149 1\ndirect\n0.601462 0.000101 0.000000 Mg\n0.398639 0.000101 0.000000 Mg\n0.805765 0.000501 0.000000 Mg\n0.194736 0.000501 0.000000 Mg\n0.999500 0.194235 0.000000 Mg\n0.194736 0.194236 0.000000 Mg\n0.599785 0.199571 0.000000 Mg\n0.399201 0.199600 0.000000 Mg\n0.800400 0.199600 0.000000 Mg\n0.398639 0.398538 0.000000 Mg\n0.999899 0.398539 0.000000 Mg\n0.199339 0.398677 0.000000 Mg\n0.599785 0.400214 0.000000 Mg\n0.800429 0.400214 0.000000 Mg\n0.400116 0.599884 0.000000 Mg\n0.199769 0.599885 0.000000 Mg\n0.800400 0.600799 0.000000 Mg\n0.999899 0.601360 0.000000 Mg\n0.601462 0.601361 0.000000 Mg\n0.400116 0.800231 0.000000 Mg\n0.199339 0.800661 0.000000 Mg\n0.601323 0.800661 0.000000 Mg\n0.805765 0.805264 0.000000 Mg\n0.999500 0.805264 0.000000 Mg\n0.064787 0.129575 0.161980 Mg\n0.064787 0.935212 0.161980 Mg\n0.870425 0.935213 0.161980 Mg\n0.265860 0.332387 0.166206 Mg\n0.066528 0.332388 0.166206 Mg\n0.667612 0.734140 0.166206 Mg\n0.066528 0.734140 0.166206 Mg\n0.265860 0.933472 0.166206 Mg\n0.667612 0.933473 0.166206 Mg\n0.466703 0.533297 0.166378 Mg\n0.066594 0.533297 0.166378 Mg\n0.466703 0.933406 0.166378 Mg\n0.666667 0.333333 0.166495 Mg\n0.266535 0.533070 0.166566 Mg\n0.466930 0.733465 0.166566 Mg\n0.266535 0.733465 0.166566 Mg\n0.466571 0.133303 0.166585 Mg\n0.666732 0.133303 0.166585 Mg\n0.466571 0.333268 0.166585 Mg\n0.866697 0.333268 0.166585 Mg\n0.866697 0.533429 0.166585 Mg\n0.666732 0.533429 0.166585 Mg\n0.267192 0.133596 0.166733 Mg\n0.866404 0.133596 0.166733 Mg\n0.866404 0.732808 0.166733 Mg\n0.199246 0.199511 0.332213 Mg\n0.000265 0.199511 0.332213 Mg\n0.000265 0.800754 0.332213 Mg\n0.800489 0.800754 0.332213 Mg\n0.199246 0.999735 0.332213 Mg\n0.800489 0.999736 0.332213 Mg\n0.000000 0.000000 0.332666 Mg\n0.000000 0.399742 0.333042 Mg\n0.399711 0.399742 0.333042 Mg\n0.000000 0.600290 0.333042 Mg\n0.600258 0.600290 0.333042 Mg\n0.600258 0.000000 0.333042 Mg\n0.399711 0.000000 0.333042 Mg\n0.599973 0.199946 0.333224 Mg\n0.599973 0.400027 0.333224 Mg\n0.800054 0.400027 0.333224 Mg\n0.200002 0.400004 0.333297 Mg\n0.599996 0.799998 0.333297 Mg\n0.200002 0.799998 0.333297 Mg\n0.800069 0.199930 0.333422 Mg\n0.399861 0.199930 0.333422 Mg\n0.800069 0.600139 0.333422 Mg\n0.400011 0.599989 0.333432 Mg\n0.199978 0.599989 0.333432 Mg\n0.400011 0.800022 0.333432 Mg\n0.066576 0.133153 0.500000 Mg\n0.266306 0.133153 0.500000 Mg\n0.866847 0.133153 0.500000 Mg\n0.666770 0.133551 0.500000 Mg\n0.466781 0.133552 0.500000 Mg\n0.066412 0.332939 0.500000 Mg\n0.266527 0.332940 0.500000 Mg\n0.866448 0.333229 0.500000 Mg\n0.466781 0.333229 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266554 0.533108 0.500000 Mg\n0.466824 0.533176 0.500000 Mg\n0.066351 0.533176 0.500000 Mg\n0.666770 0.533218 0.500000 Mg\n0.866448 0.533219 0.500000 Mg\n0.466893 0.733446 0.500000 Mg\n0.266554 0.733447 0.500000 Mg\n0.066412 0.733473 0.500000 Mg\n0.667060 0.733473 0.500000 Mg\n0.866847 0.733694 0.500000 Mg\n0.866847 0.933423 0.500000 Mg\n0.066576 0.933424 0.500000 Mg\n0.667060 0.933587 0.500000 Mg\n0.266527 0.933587 0.500000 Mg\n0.466824 0.933649 0.500000 Mg\n0.400011 0.599989 0.666569 Mg\n0.199978 0.599989 0.666569 Mg\n0.400011 0.800022 0.666569 Mg\n0.800069 0.199930 0.666578 Mg\n0.399861 0.199930 0.666578 Mg\n0.800069 0.600139 0.666578 Mg\n0.200002 0.400004 0.666703 Mg\n0.599996 0.799998 0.666703 Mg\n0.200002 0.799998 0.666703 Mg\n0.599973 0.199946 0.666776 Mg\n0.599973 0.400027 0.666776 Mg\n0.800054 0.400027 0.666776 Mg\n0.000000 0.399742 0.666958 Mg\n0.399711 0.399742 0.666958 Mg\n0.000000 0.600290 0.666958 Mg\n0.600258 0.600290 0.666958 Mg\n0.600258 0.000000 0.666958 Mg\n0.399711 0.000000 0.666958 Mg\n0.000000 0.000000 0.667334 Mg\n0.199246 0.199511 0.667788 Mg\n0.000265 0.199511 0.667788 Mg\n0.000265 0.800754 0.667788 Mg\n0.800489 0.800754 0.667788 Mg\n0.199246 0.999735 0.667788 Mg\n0.800489 0.999736 0.667788 Mg\n0.267192 0.133596 0.833267 Mg\n0.866404 0.133596 0.833267 Mg\n0.866404 0.732808 0.833267 Mg\n0.466571 0.133303 0.833415 Mg\n0.666732 0.133303 0.833415 Mg\n0.466571 0.333268 0.833415 Mg\n0.866697 0.333268 0.833415 Mg\n0.866697 0.533429 0.833415 Mg\n0.666732 0.533429 0.833415 Mg\n0.266535 0.533070 0.833434 Mg\n0.466930 0.733465 0.833434 Mg\n0.266535 0.733465 0.833434 Mg\n0.666667 0.333333 0.833505 Mg\n0.466703 0.533297 0.833622 Mg\n0.066594 0.533297 0.833622 Mg\n0.466703 0.933406 0.833622 Mg\n0.265860 0.332387 0.833794 Mg\n0.066528 0.332388 0.833794 Mg\n0.667612 0.734140 0.833794 Mg\n0.066528 0.734140 0.833794 Mg\n0.265860 0.933472 0.833794 Mg\n0.667612 0.933473 0.833794 Mg\n0.064787 0.129575 0.838021 Mg\n0.064787 0.935212 0.838021 Mg\n0.870425 0.935213 0.838021 Mg\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 1.7885327314857058,
"density_atomic": 0.043945893564783706,
"volume": 3413.288201294042,
"volume_molar": 13.703534668426624,
"formula_full": "Mg149 Mn1",
"formula_reduced": "Mg149Mn",
"formula_anonymous": "AB149",
"formation_energy": 0.0052474972691536,
"spacegroup": 187
},
{
"id": "oqmd-31753",
"created_at": "2022-09-04T14:49:00.560680Z",
"updated_at": "2022-09-04T14:49:00.560719Z",
"structure_string": "Mg149 N1\n1.0\n13.758811 -7.943656 0.000000\n0.000000 15.887314 0.000000\n0.000000 0.000000 15.551011\nMg N\n149 1\ndirect\n0.809899 0.001925 0.000000 Mg\n0.192026 0.001926 0.000000 Mg\n0.192026 0.190100 0.000000 Mg\n0.998074 0.190100 0.000000 Mg\n0.801240 0.198760 0.000000 Mg\n0.397520 0.198760 0.000000 Mg\n0.600011 0.200022 0.000000 Mg\n0.198096 0.396192 0.000000 Mg\n0.000230 0.399224 0.000000 Mg\n0.398995 0.399224 0.000000 Mg\n0.600011 0.399989 0.000000 Mg\n0.799978 0.399989 0.000000 Mg\n0.400005 0.599994 0.000000 Mg\n0.199988 0.599994 0.000000 Mg\n0.000230 0.601006 0.000000 Mg\n0.600776 0.601006 0.000000 Mg\n0.801240 0.602480 0.000000 Mg\n0.400005 0.800012 0.000000 Mg\n0.198096 0.801904 0.000000 Mg\n0.603808 0.801904 0.000000 Mg\n0.998074 0.807973 0.000000 Mg\n0.809899 0.807974 0.000000 Mg\n0.398995 0.999770 0.000000 Mg\n0.600776 0.999770 0.000000 Mg\n0.063545 0.127090 0.158794 Mg\n0.063545 0.936455 0.158794 Mg\n0.872910 0.936455 0.158794 Mg\n0.264696 0.330300 0.165258 Mg\n0.065605 0.330301 0.165258 Mg\n0.669700 0.735304 0.165258 Mg\n0.065605 0.735304 0.165258 Mg\n0.264696 0.934395 0.165258 Mg\n0.669700 0.934395 0.165258 Mg\n0.266104 0.532207 0.165730 Mg\n0.266104 0.733896 0.165730 Mg\n0.467793 0.733896 0.165730 Mg\n0.466770 0.533230 0.166117 Mg\n0.066460 0.533230 0.166117 Mg\n0.466770 0.933540 0.166117 Mg\n0.466527 0.133265 0.166167 Mg\n0.666739 0.133265 0.166167 Mg\n0.866736 0.333261 0.166167 Mg\n0.466527 0.333262 0.166167 Mg\n0.666739 0.533474 0.166167 Mg\n0.866736 0.533474 0.166167 Mg\n0.666667 0.333333 0.166168 Mg\n0.866646 0.133353 0.167001 Mg\n0.266708 0.133354 0.167001 Mg\n0.866646 0.733293 0.167001 Mg\n0.000000 0.000000 0.329480 Mg\n0.000427 0.199274 0.332350 Mg\n0.198846 0.199274 0.332350 Mg\n0.800726 0.801154 0.332350 Mg\n0.000427 0.801154 0.332350 Mg\n0.198846 0.999572 0.332350 Mg\n0.800726 0.999573 0.332350 Mg\n0.199724 0.399447 0.332557 Mg\n0.199724 0.800276 0.332557 Mg\n0.600553 0.800276 0.332557 Mg\n0.400021 0.599979 0.332777 Mg\n0.199958 0.599979 0.332777 Mg\n0.400021 0.800041 0.332777 Mg\n0.000219 0.399766 0.332830 Mg\n0.399548 0.399766 0.332830 Mg\n0.600234 0.600453 0.332830 Mg\n0.000219 0.600453 0.332830 Mg\n0.600234 0.999781 0.332830 Mg\n0.399548 0.999781 0.332830 Mg\n0.599936 0.199872 0.332943 Mg\n0.599936 0.400064 0.332943 Mg\n0.800129 0.400064 0.332943 Mg\n0.800305 0.199695 0.333050 Mg\n0.399390 0.199695 0.333050 Mg\n0.800305 0.600610 0.333050 Mg\n0.066392 0.132784 0.500000 Mg\n0.866825 0.133175 0.500000 Mg\n0.266350 0.133175 0.500000 Mg\n0.466529 0.133243 0.500000 Mg\n0.666713 0.133243 0.500000 Mg\n0.266288 0.332749 0.500000 Mg\n0.066460 0.332749 0.500000 Mg\n0.466529 0.333287 0.500000 Mg\n0.866757 0.333287 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266570 0.533140 0.500000 Mg\n0.466604 0.533396 0.500000 Mg\n0.066792 0.533396 0.500000 Mg\n0.666713 0.533470 0.500000 Mg\n0.866757 0.533470 0.500000 Mg\n0.266570 0.733430 0.500000 Mg\n0.466861 0.733431 0.500000 Mg\n0.866825 0.733650 0.500000 Mg\n0.066460 0.733712 0.500000 Mg\n0.667252 0.733712 0.500000 Mg\n0.466604 0.933207 0.500000 Mg\n0.266288 0.933540 0.500000 Mg\n0.667252 0.933540 0.500000 Mg\n0.066392 0.933608 0.500000 Mg\n0.867215 0.933608 0.500000 Mg\n0.800305 0.199695 0.666950 Mg\n0.399390 0.199695 0.666950 Mg\n0.800305 0.600610 0.666950 Mg\n0.599936 0.199872 0.667058 Mg\n0.599936 0.400064 0.667058 Mg\n0.800129 0.400064 0.667058 Mg\n0.000219 0.399766 0.667169 Mg\n0.399548 0.399766 0.667169 Mg\n0.600234 0.600453 0.667169 Mg\n0.000219 0.600453 0.667169 Mg\n0.600234 0.999781 0.667169 Mg\n0.399548 0.999781 0.667169 Mg\n0.400021 0.599979 0.667223 Mg\n0.199958 0.599979 0.667223 Mg\n0.400021 0.800041 0.667223 Mg\n0.199724 0.399447 0.667443 Mg\n0.199724 0.800276 0.667443 Mg\n0.600553 0.800276 0.667443 Mg\n0.000427 0.199274 0.667650 Mg\n0.198846 0.199274 0.667650 Mg\n0.800726 0.801154 0.667650 Mg\n0.000427 0.801154 0.667650 Mg\n0.198846 0.999572 0.667650 Mg\n0.800726 0.999573 0.667650 Mg\n0.000000 0.000000 0.670520 Mg\n0.866646 0.133353 0.832999 Mg\n0.266708 0.133354 0.832999 Mg\n0.866646 0.733293 0.832999 Mg\n0.466527 0.133265 0.833833 Mg\n0.666739 0.133265 0.833833 Mg\n0.866736 0.333261 0.833833 Mg\n0.466527 0.333262 0.833833 Mg\n0.666667 0.333333 0.833833 Mg\n0.666739 0.533474 0.833833 Mg\n0.866736 0.533474 0.833833 Mg\n0.466770 0.533230 0.833883 Mg\n0.066460 0.533230 0.833883 Mg\n0.466770 0.933540 0.833883 Mg\n0.266104 0.532207 0.834271 Mg\n0.266104 0.733896 0.834271 Mg\n0.467793 0.733896 0.834271 Mg\n0.264696 0.330300 0.834742 Mg\n0.065605 0.330301 0.834742 Mg\n0.669700 0.735304 0.834742 Mg\n0.065605 0.735304 0.834742 Mg\n0.264696 0.934395 0.834742 Mg\n0.669700 0.934395 0.834742 Mg\n0.063545 0.127090 0.841206 Mg\n0.063545 0.936455 0.841206 Mg\n0.872910 0.936455 0.841206 Mg\n0.000000 0.000000 0.000000 N\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"N"
],
"chemical_system": "Mg-N",
"density": 1.7758957336346262,
"density_atomic": 0.044126679306702284,
"volume": 3399.3040572445,
"volume_molar": 13.647391679176986,
"formula_full": "Mg149 N1",
"formula_reduced": "Mg149N",
"formula_anonymous": "AB149",
"formation_energy": 0.0197043983921511,
"spacegroup": 187
},
{
"id": "oqmd-31754",
"created_at": "2022-09-04T14:49:00.440634Z",
"updated_at": "2022-09-04T14:49:00.440671Z",
"structure_string": "Na1 Mg149\n1.0\n13.791430 -7.962490 0.000000\n0.000000 15.924979 0.000000\n0.000000 0.000000 15.627889\nMg Na\n149 1\ndirect\n0.799904 0.200096 0.000000 Mg\n0.400191 0.200096 0.000000 Mg\n0.600127 0.200254 0.000000 Mg\n0.001222 0.203646 0.000000 Mg\n0.202424 0.203646 0.000000 Mg\n0.799747 0.399873 0.000000 Mg\n0.600127 0.399873 0.000000 Mg\n0.400660 0.400895 0.000000 Mg\n0.000235 0.400895 0.000000 Mg\n0.200986 0.401973 0.000000 Mg\n0.000235 0.599340 0.000000 Mg\n0.599105 0.599340 0.000000 Mg\n0.799904 0.599808 0.000000 Mg\n0.399766 0.600234 0.000000 Mg\n0.200468 0.600234 0.000000 Mg\n0.001222 0.797576 0.000000 Mg\n0.796354 0.797577 0.000000 Mg\n0.598026 0.799013 0.000000 Mg\n0.200986 0.799013 0.000000 Mg\n0.399766 0.799532 0.000000 Mg\n0.202424 0.998777 0.000000 Mg\n0.796354 0.998777 0.000000 Mg\n0.400660 0.999765 0.000000 Mg\n0.599105 0.999765 0.000000 Mg\n0.265293 0.132647 0.165957 Mg\n0.867354 0.132647 0.165957 Mg\n0.867354 0.734707 0.165957 Mg\n0.666667 0.333333 0.166515 Mg\n0.666886 0.133104 0.166622 Mg\n0.466219 0.133105 0.166622 Mg\n0.466219 0.333114 0.166622 Mg\n0.866896 0.333114 0.166622 Mg\n0.866896 0.533781 0.166622 Mg\n0.666886 0.533782 0.166622 Mg\n0.066763 0.533382 0.167120 Mg\n0.466618 0.533382 0.167120 Mg\n0.466618 0.933236 0.167120 Mg\n0.266997 0.533994 0.167183 Mg\n0.266997 0.733003 0.167183 Mg\n0.466005 0.733003 0.167183 Mg\n0.267328 0.334603 0.167273 Mg\n0.067274 0.334603 0.167273 Mg\n0.067274 0.732672 0.167273 Mg\n0.665397 0.732672 0.167273 Mg\n0.665397 0.932725 0.167273 Mg\n0.267328 0.932725 0.167273 Mg\n0.067721 0.135442 0.169031 Mg\n0.067721 0.932279 0.169031 Mg\n0.864559 0.932279 0.169031 Mg\n0.400061 0.200030 0.332977 Mg\n0.799970 0.200031 0.332977 Mg\n0.799970 0.599939 0.332977 Mg\n0.600114 0.200228 0.333155 Mg\n0.799772 0.399886 0.333155 Mg\n0.600114 0.399886 0.333155 Mg\n0.000000 0.000000 0.333428 Mg\n0.599733 0.000200 0.333698 Mg\n0.400468 0.000200 0.333698 Mg\n0.999800 0.400267 0.333698 Mg\n0.400468 0.400267 0.333698 Mg\n0.599733 0.599533 0.333698 Mg\n0.999800 0.599533 0.333698 Mg\n0.399978 0.600022 0.333738 Mg\n0.200044 0.600022 0.333738 Mg\n0.399978 0.799957 0.333738 Mg\n0.200209 0.400418 0.333848 Mg\n0.599581 0.799791 0.333848 Mg\n0.200209 0.799791 0.333848 Mg\n0.799460 0.000115 0.333880 Mg\n0.200655 0.000115 0.333880 Mg\n0.200655 0.200540 0.333880 Mg\n0.999885 0.200540 0.333880 Mg\n0.799460 0.799345 0.333880 Mg\n0.999885 0.799345 0.333880 Mg\n0.066752 0.133503 0.500000 Mg\n0.866493 0.133507 0.500000 Mg\n0.267014 0.133507 0.500000 Mg\n0.466931 0.133692 0.500000 Mg\n0.666763 0.133693 0.500000 Mg\n0.866308 0.333238 0.500000 Mg\n0.466931 0.333238 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066893 0.333783 0.500000 Mg\n0.266890 0.333783 0.500000 Mg\n0.866308 0.533070 0.500000 Mg\n0.666763 0.533070 0.500000 Mg\n0.466621 0.533379 0.500000 Mg\n0.066757 0.533379 0.500000 Mg\n0.266837 0.533673 0.500000 Mg\n0.866493 0.732986 0.500000 Mg\n0.666217 0.733110 0.500000 Mg\n0.066893 0.733110 0.500000 Mg\n0.266837 0.733164 0.500000 Mg\n0.466327 0.733164 0.500000 Mg\n0.666217 0.933107 0.500000 Mg\n0.266890 0.933107 0.500000 Mg\n0.466621 0.933242 0.500000 Mg\n0.866498 0.933249 0.500000 Mg\n0.066752 0.933249 0.500000 Mg\n0.799460 0.000115 0.666120 Mg\n0.200655 0.000115 0.666120 Mg\n0.200655 0.200540 0.666120 Mg\n0.999885 0.200540 0.666120 Mg\n0.799460 0.799345 0.666120 Mg\n0.999885 0.799345 0.666120 Mg\n0.200209 0.400418 0.666152 Mg\n0.599581 0.799791 0.666152 Mg\n0.200209 0.799791 0.666152 Mg\n0.399978 0.600022 0.666262 Mg\n0.200044 0.600022 0.666262 Mg\n0.399978 0.799957 0.666262 Mg\n0.599733 0.000200 0.666302 Mg\n0.400468 0.000200 0.666302 Mg\n0.999800 0.400267 0.666302 Mg\n0.400468 0.400267 0.666302 Mg\n0.599733 0.599533 0.666302 Mg\n0.999800 0.599533 0.666302 Mg\n0.000000 0.000000 0.666572 Mg\n0.600114 0.200228 0.666845 Mg\n0.799772 0.399886 0.666845 Mg\n0.600114 0.399886 0.666845 Mg\n0.400061 0.200030 0.667023 Mg\n0.799970 0.200031 0.667023 Mg\n0.799970 0.599939 0.667023 Mg\n0.067721 0.135442 0.830969 Mg\n0.067721 0.932279 0.830969 Mg\n0.864559 0.932279 0.830969 Mg\n0.267328 0.334603 0.832727 Mg\n0.067274 0.334603 0.832727 Mg\n0.067274 0.732672 0.832727 Mg\n0.665397 0.732672 0.832727 Mg\n0.665397 0.932725 0.832727 Mg\n0.267328 0.932725 0.832727 Mg\n0.266997 0.533994 0.832818 Mg\n0.266997 0.733003 0.832818 Mg\n0.466005 0.733003 0.832818 Mg\n0.066763 0.533382 0.832880 Mg\n0.466618 0.533382 0.832880 Mg\n0.466618 0.933236 0.832880 Mg\n0.666886 0.133104 0.833378 Mg\n0.466219 0.133105 0.833378 Mg\n0.466219 0.333114 0.833378 Mg\n0.866896 0.333114 0.833378 Mg\n0.866896 0.533781 0.833378 Mg\n0.666886 0.533782 0.833378 Mg\n0.666667 0.333333 0.833485 Mg\n0.265293 0.132647 0.834044 Mg\n0.867354 0.132647 0.834044 Mg\n0.867354 0.734707 0.834044 Mg\n0.000000 0.000000 0.000000 Na\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Na"
],
"chemical_system": "Mg-Na",
"density": 1.7631562181448814,
"density_atomic": 0.04370214698603917,
"volume": 3432.3256486212936,
"volume_molar": 13.779965460103819,
"formula_full": "Na1 Mg149",
"formula_reduced": "NaMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0018610058887634,
"spacegroup": 187
}
]
}