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=-volume&page=3",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-volume",
"results": [
{
"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-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-31746",
"created_at": "2022-09-04T14:49:02.923837Z",
"updated_at": "2022-09-04T14:49:02.923867Z",
"structure_string": "K1 Mg149\n1.0\n13.823652 -7.981093 0.000000\n0.000000 15.962186 0.000000\n0.000000 0.000000 15.651427\nK Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 K\n0.600283 0.200565 0.000000 Mg\n0.401459 0.200730 0.000000 Mg\n0.799271 0.200730 0.000000 Mg\n0.002165 0.209709 0.000000 Mg\n0.207544 0.209710 0.000000 Mg\n0.799434 0.399717 0.000000 Mg\n0.600283 0.399717 0.000000 Mg\n0.402007 0.402409 0.000000 Mg\n0.000403 0.402410 0.000000 Mg\n0.201735 0.403471 0.000000 Mg\n0.597590 0.597994 0.000000 Mg\n0.000403 0.597994 0.000000 Mg\n0.799271 0.598541 0.000000 Mg\n0.200859 0.600429 0.000000 Mg\n0.399570 0.600429 0.000000 Mg\n0.002165 0.792455 0.000000 Mg\n0.790290 0.792455 0.000000 Mg\n0.596529 0.798264 0.000000 Mg\n0.201735 0.798265 0.000000 Mg\n0.399570 0.799141 0.000000 Mg\n0.207544 0.997835 0.000000 Mg\n0.790290 0.997835 0.000000 Mg\n0.402007 0.999597 0.000000 Mg\n0.597590 0.999597 0.000000 Mg\n0.868124 0.131876 0.165249 Mg\n0.263752 0.131876 0.165249 Mg\n0.868124 0.736247 0.165249 Mg\n0.666667 0.333333 0.166368 Mg\n0.465870 0.132952 0.166534 Mg\n0.667082 0.132952 0.166534 Mg\n0.867048 0.332917 0.166534 Mg\n0.465870 0.332918 0.166534 Mg\n0.667082 0.534130 0.166534 Mg\n0.867048 0.534131 0.166534 Mg\n0.267099 0.534198 0.167285 Mg\n0.465802 0.732901 0.167285 Mg\n0.267099 0.732901 0.167285 Mg\n0.066786 0.533393 0.167426 Mg\n0.466608 0.533393 0.167426 Mg\n0.466608 0.933215 0.167426 Mg\n0.268279 0.335871 0.167832 Mg\n0.067593 0.335872 0.167832 Mg\n0.664128 0.731721 0.167832 Mg\n0.067593 0.731722 0.167832 Mg\n0.268279 0.932407 0.167832 Mg\n0.664128 0.932407 0.167832 Mg\n0.069582 0.139165 0.173624 Mg\n0.860835 0.930418 0.173624 Mg\n0.069582 0.930418 0.173624 Mg\n0.799997 0.200003 0.332830 Mg\n0.400006 0.200003 0.332830 Mg\n0.799997 0.599994 0.332830 Mg\n0.600112 0.200224 0.333063 Mg\n0.799776 0.399888 0.333063 Mg\n0.600112 0.399888 0.333063 Mg\n0.200054 0.600027 0.333740 Mg\n0.399973 0.600027 0.333740 Mg\n0.399973 0.799946 0.333740 Mg\n0.599582 0.000193 0.333784 Mg\n0.400611 0.000193 0.333784 Mg\n0.400611 0.400418 0.333784 Mg\n0.999807 0.400418 0.333784 Mg\n0.599582 0.599389 0.333784 Mg\n0.999807 0.599389 0.333784 Mg\n0.000000 0.000000 0.333800 Mg\n0.200189 0.400378 0.333868 Mg\n0.200189 0.799811 0.333868 Mg\n0.599622 0.799811 0.333868 Mg\n0.799037 0.000425 0.334927 Mg\n0.201387 0.000425 0.334927 Mg\n0.201387 0.200963 0.334927 Mg\n0.999575 0.200963 0.334927 Mg\n0.799037 0.798612 0.334927 Mg\n0.999575 0.798613 0.334927 Mg\n0.066677 0.133354 0.500000 Mg\n0.866458 0.133542 0.500000 Mg\n0.267085 0.133542 0.500000 Mg\n0.466968 0.133863 0.500000 Mg\n0.666894 0.133863 0.500000 Mg\n0.466968 0.333106 0.500000 Mg\n0.866137 0.333106 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066983 0.333884 0.500000 Mg\n0.266901 0.333884 0.500000 Mg\n0.866137 0.533031 0.500000 Mg\n0.666894 0.533031 0.500000 Mg\n0.466642 0.533358 0.500000 Mg\n0.066717 0.533358 0.500000 Mg\n0.266874 0.533749 0.500000 Mg\n0.866458 0.732915 0.500000 Mg\n0.066983 0.733099 0.500000 Mg\n0.666116 0.733099 0.500000 Mg\n0.466252 0.733126 0.500000 Mg\n0.266874 0.733126 0.500000 Mg\n0.666116 0.933016 0.500000 Mg\n0.266901 0.933017 0.500000 Mg\n0.466642 0.933283 0.500000 Mg\n0.866647 0.933323 0.500000 Mg\n0.066677 0.933324 0.500000 Mg\n0.799037 0.000425 0.665074 Mg\n0.201387 0.000425 0.665074 Mg\n0.201387 0.200963 0.665074 Mg\n0.999575 0.200963 0.665074 Mg\n0.799037 0.798612 0.665074 Mg\n0.999575 0.798613 0.665074 Mg\n0.200189 0.400378 0.666132 Mg\n0.200189 0.799811 0.666132 Mg\n0.599622 0.799811 0.666132 Mg\n0.000000 0.000000 0.666200 Mg\n0.599582 0.000193 0.666217 Mg\n0.400611 0.000193 0.666217 Mg\n0.400611 0.400418 0.666217 Mg\n0.999807 0.400418 0.666217 Mg\n0.599582 0.599389 0.666217 Mg\n0.999807 0.599389 0.666217 Mg\n0.200054 0.600027 0.666259 Mg\n0.399973 0.600027 0.666259 Mg\n0.399973 0.799946 0.666259 Mg\n0.600112 0.200224 0.666937 Mg\n0.799776 0.399888 0.666937 Mg\n0.600112 0.399888 0.666937 Mg\n0.799997 0.200003 0.667169 Mg\n0.400006 0.200003 0.667169 Mg\n0.799997 0.599994 0.667169 Mg\n0.069582 0.139165 0.826376 Mg\n0.860835 0.930418 0.826376 Mg\n0.069582 0.930418 0.826376 Mg\n0.268279 0.335871 0.832168 Mg\n0.067593 0.335872 0.832168 Mg\n0.664128 0.731721 0.832168 Mg\n0.067593 0.731722 0.832168 Mg\n0.268279 0.932407 0.832168 Mg\n0.664128 0.932407 0.832168 Mg\n0.066786 0.533393 0.832573 Mg\n0.466608 0.533393 0.832573 Mg\n0.466608 0.933215 0.832573 Mg\n0.267099 0.534198 0.832715 Mg\n0.465802 0.732901 0.832715 Mg\n0.267099 0.732901 0.832715 Mg\n0.465870 0.132952 0.833466 Mg\n0.667082 0.132952 0.833466 Mg\n0.867048 0.332917 0.833466 Mg\n0.465870 0.332918 0.833466 Mg\n0.667082 0.534130 0.833466 Mg\n0.867048 0.534131 0.833466 Mg\n0.666667 0.333333 0.833631 Mg\n0.868124 0.131876 0.834751 Mg\n0.263752 0.131876 0.834751 Mg\n0.868124 0.736247 0.834751 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"K",
"Mg"
],
"chemical_system": "K-Mg",
"density": 1.7600521924948478,
"density_atomic": 0.04343323319716013,
"volume": 3453.576649914419,
"volume_molar": 13.865283140822582,
"formula_full": "K1 Mg149",
"formula_reduced": "KMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0096333189944412,
"spacegroup": 187
},
{
"id": "oqmd-31766",
"created_at": "2022-09-04T14:49:03.184303Z",
"updated_at": "2022-09-04T14:49:03.184338Z",
"structure_string": "Pr1 Mg149\n1.0\n13.829476 -7.984455 0.000000\n0.000000 15.968911 0.000000\n0.000000 0.000000 15.633567\nMg Pr\n149 1\ndirect\n0.599975 0.199950 0.000000 Mg\n0.799257 0.200743 0.000000 Mg\n0.401487 0.200743 0.000000 Mg\n0.003506 0.206571 0.000000 Mg\n0.203066 0.206572 0.000000 Mg\n0.800050 0.400025 0.000000 Mg\n0.599975 0.400025 0.000000 Mg\n0.400302 0.400512 0.000000 Mg\n0.000210 0.400512 0.000000 Mg\n0.201794 0.403589 0.000000 Mg\n0.799257 0.598513 0.000000 Mg\n0.000210 0.599698 0.000000 Mg\n0.599488 0.599699 0.000000 Mg\n0.399706 0.600295 0.000000 Mg\n0.200589 0.600295 0.000000 Mg\n0.793428 0.796934 0.000000 Mg\n0.003506 0.796934 0.000000 Mg\n0.201794 0.798205 0.000000 Mg\n0.596411 0.798206 0.000000 Mg\n0.399706 0.799411 0.000000 Mg\n0.203066 0.996495 0.000000 Mg\n0.793428 0.996495 0.000000 Mg\n0.599488 0.999789 0.000000 Mg\n0.400302 0.999789 0.000000 Mg\n0.868622 0.131377 0.164298 Mg\n0.262755 0.131378 0.164298 Mg\n0.868622 0.737245 0.164298 Mg\n0.666667 0.333333 0.166258 Mg\n0.667421 0.132729 0.166458 Mg\n0.465308 0.132729 0.166458 Mg\n0.465308 0.332579 0.166458 Mg\n0.867271 0.332579 0.166458 Mg\n0.667421 0.534692 0.166458 Mg\n0.867271 0.534692 0.166458 Mg\n0.466687 0.533313 0.167323 Mg\n0.066627 0.533314 0.167323 Mg\n0.466687 0.933373 0.167323 Mg\n0.267200 0.534401 0.167470 Mg\n0.267200 0.732799 0.167470 Mg\n0.465599 0.732800 0.167470 Mg\n0.068019 0.336212 0.167815 Mg\n0.268192 0.336212 0.167815 Mg\n0.663788 0.731807 0.167815 Mg\n0.068019 0.731807 0.167815 Mg\n0.268192 0.931980 0.167815 Mg\n0.663788 0.931981 0.167815 Mg\n0.068388 0.136776 0.170793 Mg\n0.068388 0.931612 0.170793 Mg\n0.863224 0.931612 0.170793 Mg\n0.800095 0.199905 0.332806 Mg\n0.399810 0.199905 0.332806 Mg\n0.800095 0.600190 0.332806 Mg\n0.600075 0.200150 0.332903 Mg\n0.799850 0.399925 0.332903 Mg\n0.600075 0.399925 0.332903 Mg\n0.400480 0.000211 0.333733 Mg\n0.599731 0.000211 0.333733 Mg\n0.400480 0.400269 0.333733 Mg\n0.999789 0.400270 0.333733 Mg\n0.999789 0.599519 0.333733 Mg\n0.599731 0.599520 0.333733 Mg\n0.200747 0.000138 0.333766 Mg\n0.799391 0.000139 0.333766 Mg\n0.999861 0.200608 0.333766 Mg\n0.200747 0.200609 0.333766 Mg\n0.799391 0.799253 0.333766 Mg\n0.999861 0.799253 0.333766 Mg\n0.399964 0.600036 0.333908 Mg\n0.200073 0.600037 0.333908 Mg\n0.399964 0.799928 0.333908 Mg\n0.200307 0.400614 0.334155 Mg\n0.200307 0.799693 0.334155 Mg\n0.599386 0.799693 0.334155 Mg\n0.000000 0.000000 0.334476 Mg\n0.866535 0.133465 0.500000 Mg\n0.266931 0.133465 0.500000 Mg\n0.066783 0.133566 0.500000 Mg\n0.467166 0.134295 0.500000 Mg\n0.667129 0.134295 0.500000 Mg\n0.467166 0.332871 0.500000 Mg\n0.865705 0.332871 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266886 0.333632 0.500000 Mg\n0.066746 0.333632 0.500000 Mg\n0.667129 0.532833 0.500000 Mg\n0.865705 0.532834 0.500000 Mg\n0.466882 0.533118 0.500000 Mg\n0.066235 0.533118 0.500000 Mg\n0.266747 0.533494 0.500000 Mg\n0.866535 0.733070 0.500000 Mg\n0.066746 0.733114 0.500000 Mg\n0.666368 0.733114 0.500000 Mg\n0.266747 0.733253 0.500000 Mg\n0.466506 0.733253 0.500000 Mg\n0.066783 0.933217 0.500000 Mg\n0.866434 0.933217 0.500000 Mg\n0.266886 0.933254 0.500000 Mg\n0.666368 0.933254 0.500000 Mg\n0.466882 0.933764 0.500000 Mg\n0.000000 0.000000 0.665523 Mg\n0.200307 0.400614 0.665845 Mg\n0.200307 0.799693 0.665845 Mg\n0.599386 0.799693 0.665845 Mg\n0.399964 0.600036 0.666092 Mg\n0.200073 0.600037 0.666092 Mg\n0.399964 0.799928 0.666092 Mg\n0.200747 0.000138 0.666234 Mg\n0.799391 0.000139 0.666234 Mg\n0.999861 0.200608 0.666234 Mg\n0.200747 0.200609 0.666234 Mg\n0.799391 0.799253 0.666234 Mg\n0.999861 0.799253 0.666234 Mg\n0.400480 0.000211 0.666268 Mg\n0.599731 0.000211 0.666268 Mg\n0.400480 0.400269 0.666268 Mg\n0.999789 0.400270 0.666268 Mg\n0.999789 0.599519 0.666268 Mg\n0.599731 0.599520 0.666268 Mg\n0.600075 0.200150 0.667097 Mg\n0.799850 0.399925 0.667097 Mg\n0.600075 0.399925 0.667097 Mg\n0.800095 0.199905 0.667193 Mg\n0.399810 0.199905 0.667193 Mg\n0.800095 0.600190 0.667193 Mg\n0.068388 0.136776 0.829207 Mg\n0.068388 0.931612 0.829207 Mg\n0.863224 0.931612 0.829207 Mg\n0.068019 0.336212 0.832186 Mg\n0.268192 0.336212 0.832186 Mg\n0.663788 0.731807 0.832186 Mg\n0.068019 0.731807 0.832186 Mg\n0.268192 0.931980 0.832186 Mg\n0.663788 0.931981 0.832186 Mg\n0.267200 0.534401 0.832530 Mg\n0.267200 0.732799 0.832530 Mg\n0.465599 0.732800 0.832530 Mg\n0.466687 0.533313 0.832678 Mg\n0.066627 0.533314 0.832678 Mg\n0.466687 0.933373 0.832678 Mg\n0.667421 0.132729 0.833542 Mg\n0.465308 0.132729 0.833542 Mg\n0.465308 0.332579 0.833542 Mg\n0.867271 0.332579 0.833542 Mg\n0.667421 0.534692 0.833542 Mg\n0.867271 0.534692 0.833542 Mg\n0.666667 0.333333 0.833742 Mg\n0.868622 0.131377 0.835702 Mg\n0.262755 0.131378 0.835702 Mg\n0.868622 0.737245 0.835702 Mg\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Pr"
],
"chemical_system": "Mg-Pr",
"density": 1.8095454386034078,
"density_atomic": 0.043446235748202174,
"volume": 3452.543066546498,
"volume_molar": 13.861133551136705,
"formula_full": "Pr1 Mg149",
"formula_reduced": "PrMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.000467234644441,
"spacegroup": 187
},
{
"id": "oqmd-31793",
"created_at": "2022-09-04T14:49:02.770856Z",
"updated_at": "2022-09-04T14:49:02.770876Z",
"structure_string": "Yb1 Mg149\n1.0\n13.815268 -7.976252 0.000000\n0.000000 15.952504 0.000000\n0.000000 0.000000 15.653523\nMg Yb\n149 1\ndirect\n0.600093 0.200187 0.000000 Mg\n0.400815 0.200407 0.000000 Mg\n0.799593 0.200408 0.000000 Mg\n0.002588 0.206483 0.000000 Mg\n0.203895 0.206483 0.000000 Mg\n0.600093 0.399906 0.000000 Mg\n0.799813 0.399906 0.000000 Mg\n0.000308 0.401107 0.000000 Mg\n0.400799 0.401107 0.000000 Mg\n0.201594 0.403187 0.000000 Mg\n0.799593 0.599185 0.000000 Mg\n0.000308 0.599200 0.000000 Mg\n0.598892 0.599200 0.000000 Mg\n0.399690 0.600309 0.000000 Mg\n0.200619 0.600309 0.000000 Mg\n0.002588 0.796105 0.000000 Mg\n0.793517 0.796105 0.000000 Mg\n0.596814 0.798407 0.000000 Mg\n0.201594 0.798407 0.000000 Mg\n0.399690 0.799381 0.000000 Mg\n0.203895 0.997413 0.000000 Mg\n0.793517 0.997413 0.000000 Mg\n0.400799 0.999692 0.000000 Mg\n0.598892 0.999692 0.000000 Mg\n0.263816 0.131908 0.165013 Mg\n0.868092 0.131908 0.165013 Mg\n0.868092 0.736184 0.165013 Mg\n0.666667 0.333333 0.166294 Mg\n0.465786 0.132939 0.166513 Mg\n0.667153 0.132939 0.166513 Mg\n0.867061 0.332847 0.166513 Mg\n0.465786 0.332847 0.166513 Mg\n0.667153 0.534214 0.166513 Mg\n0.867061 0.534214 0.166513 Mg\n0.466683 0.533316 0.167360 Mg\n0.066634 0.533317 0.167360 Mg\n0.466683 0.933366 0.167360 Mg\n0.267076 0.534153 0.167383 Mg\n0.267076 0.732923 0.167383 Mg\n0.465847 0.732923 0.167383 Mg\n0.267916 0.335581 0.167691 Mg\n0.067666 0.335582 0.167691 Mg\n0.067666 0.732084 0.167691 Mg\n0.664419 0.732084 0.167691 Mg\n0.267916 0.932334 0.167691 Mg\n0.664419 0.932334 0.167691 Mg\n0.068356 0.136713 0.170824 Mg\n0.863288 0.931644 0.170824 Mg\n0.068356 0.931644 0.170824 Mg\n0.800059 0.199941 0.332838 Mg\n0.399881 0.199941 0.332838 Mg\n0.800059 0.600118 0.332838 Mg\n0.600083 0.200166 0.332987 Mg\n0.799833 0.399917 0.332987 Mg\n0.600083 0.399917 0.332987 Mg\n0.599758 0.000231 0.333780 Mg\n0.400473 0.000231 0.333780 Mg\n0.400473 0.400242 0.333780 Mg\n0.999770 0.400242 0.333780 Mg\n0.599758 0.599527 0.333780 Mg\n0.999770 0.599528 0.333780 Mg\n0.400018 0.599982 0.333790 Mg\n0.199965 0.599982 0.333790 Mg\n0.400018 0.800035 0.333790 Mg\n0.200226 0.400453 0.334001 Mg\n0.599548 0.799774 0.334001 Mg\n0.200226 0.799774 0.334001 Mg\n0.799366 0.000145 0.334091 Mg\n0.200779 0.000145 0.334091 Mg\n0.200779 0.200634 0.334091 Mg\n0.999855 0.200634 0.334091 Mg\n0.799366 0.799221 0.334091 Mg\n0.999855 0.799221 0.334091 Mg\n0.000000 0.000000 0.334099 Mg\n0.066746 0.133492 0.500000 Mg\n0.267117 0.133558 0.500000 Mg\n0.866441 0.133559 0.500000 Mg\n0.666942 0.133959 0.500000 Mg\n0.467017 0.133959 0.500000 Mg\n0.467017 0.333058 0.500000 Mg\n0.866041 0.333058 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066817 0.333734 0.500000 Mg\n0.266918 0.333735 0.500000 Mg\n0.866041 0.532983 0.500000 Mg\n0.666942 0.532983 0.500000 Mg\n0.466748 0.533252 0.500000 Mg\n0.066504 0.533252 0.500000 Mg\n0.266806 0.533613 0.500000 Mg\n0.866441 0.732883 0.500000 Mg\n0.066817 0.733082 0.500000 Mg\n0.666266 0.733083 0.500000 Mg\n0.466387 0.733193 0.500000 Mg\n0.266806 0.733194 0.500000 Mg\n0.266918 0.933183 0.500000 Mg\n0.666266 0.933184 0.500000 Mg\n0.066746 0.933254 0.500000 Mg\n0.866508 0.933254 0.500000 Mg\n0.466748 0.933496 0.500000 Mg\n0.000000 0.000000 0.665901 Mg\n0.799366 0.000145 0.665909 Mg\n0.200779 0.000145 0.665909 Mg\n0.200779 0.200634 0.665909 Mg\n0.999855 0.200634 0.665909 Mg\n0.799366 0.799221 0.665909 Mg\n0.999855 0.799221 0.665909 Mg\n0.200226 0.400453 0.665999 Mg\n0.599548 0.799774 0.665999 Mg\n0.200226 0.799774 0.665999 Mg\n0.400018 0.599982 0.666210 Mg\n0.199965 0.599982 0.666210 Mg\n0.400018 0.800035 0.666210 Mg\n0.599758 0.000231 0.666220 Mg\n0.400473 0.000231 0.666220 Mg\n0.400473 0.400242 0.666220 Mg\n0.999770 0.400242 0.666220 Mg\n0.599758 0.599527 0.666220 Mg\n0.999770 0.599528 0.666220 Mg\n0.600083 0.200166 0.667013 Mg\n0.799833 0.399917 0.667013 Mg\n0.600083 0.399917 0.667013 Mg\n0.800059 0.199941 0.667162 Mg\n0.399881 0.199941 0.667162 Mg\n0.800059 0.600118 0.667162 Mg\n0.068356 0.136713 0.829177 Mg\n0.863288 0.931644 0.829177 Mg\n0.068356 0.931644 0.829177 Mg\n0.267916 0.335581 0.832308 Mg\n0.067666 0.335582 0.832308 Mg\n0.067666 0.732084 0.832308 Mg\n0.664419 0.732084 0.832308 Mg\n0.267916 0.932334 0.832308 Mg\n0.664419 0.932334 0.832308 Mg\n0.267076 0.534153 0.832617 Mg\n0.267076 0.732923 0.832617 Mg\n0.465847 0.732923 0.832617 Mg\n0.466683 0.533316 0.832639 Mg\n0.066634 0.533317 0.832639 Mg\n0.466683 0.933366 0.832639 Mg\n0.465786 0.132939 0.833487 Mg\n0.667153 0.132939 0.833487 Mg\n0.867061 0.332847 0.833487 Mg\n0.465786 0.332847 0.833487 Mg\n0.667153 0.534214 0.833487 Mg\n0.867061 0.534214 0.833487 Mg\n0.666667 0.333333 0.833706 Mg\n0.263816 0.131908 0.834987 Mg\n0.868092 0.131908 0.834987 Mg\n0.868092 0.736184 0.834987 Mg\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Yb"
],
"chemical_system": "Mg-Yb",
"density": 1.826424254226045,
"density_atomic": 0.04348014533024224,
"volume": 3449.8504745261002,
"volume_molar": 13.850323439032648,
"formula_full": "Yb1 Mg149",
"formula_reduced": "YbMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0014718816277744,
"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-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-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-31725",
"created_at": "2022-09-04T15:16:52.976982Z",
"updated_at": "2022-09-04T15:16:52.977009Z",
"structure_string": "Ce1 Mg149\n1.0\n13.908542 -8.030104 0.000000\n0.000000 16.060209 0.000000\n0.000000 0.000000 15.438141\nCe Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ce\n0.600041 0.200083 0.000000 Mg\n0.799041 0.200959 0.000000 Mg\n0.401919 0.200960 0.000000 Mg\n0.204031 0.207843 0.000000 Mg\n0.003812 0.207843 0.000000 Mg\n0.600041 0.399958 0.000000 Mg\n0.799917 0.399959 0.000000 Mg\n0.400805 0.400966 0.000000 Mg\n0.000162 0.400967 0.000000 Mg\n0.201938 0.403875 0.000000 Mg\n0.799041 0.598081 0.000000 Mg\n0.000162 0.599195 0.000000 Mg\n0.599033 0.599195 0.000000 Mg\n0.200610 0.600305 0.000000 Mg\n0.399695 0.600305 0.000000 Mg\n0.003812 0.795969 0.000000 Mg\n0.792157 0.795969 0.000000 Mg\n0.596125 0.798062 0.000000 Mg\n0.201938 0.798063 0.000000 Mg\n0.399695 0.799390 0.000000 Mg\n0.792157 0.996188 0.000000 Mg\n0.204031 0.996188 0.000000 Mg\n0.400805 0.999838 0.000000 Mg\n0.599033 0.999838 0.000000 Mg\n0.868841 0.131159 0.164406 Mg\n0.262319 0.131159 0.164406 Mg\n0.868841 0.737682 0.164406 Mg\n0.666667 0.333333 0.166475 Mg\n0.667349 0.132746 0.166729 Mg\n0.465397 0.132746 0.166729 Mg\n0.867254 0.332651 0.166729 Mg\n0.465397 0.332651 0.166729 Mg\n0.667349 0.534603 0.166729 Mg\n0.867254 0.534603 0.166729 Mg\n0.066771 0.533385 0.167447 Mg\n0.466615 0.533386 0.167447 Mg\n0.466615 0.933229 0.167447 Mg\n0.267315 0.534630 0.167498 Mg\n0.465370 0.732685 0.167498 Mg\n0.267315 0.732685 0.167498 Mg\n0.268710 0.336792 0.168163 Mg\n0.068083 0.336793 0.168163 Mg\n0.068083 0.731290 0.168163 Mg\n0.663208 0.731290 0.168163 Mg\n0.663208 0.931917 0.168163 Mg\n0.268710 0.931917 0.168163 Mg\n0.068973 0.137946 0.171909 Mg\n0.862054 0.931027 0.171909 Mg\n0.068973 0.931027 0.171909 Mg\n0.799990 0.200011 0.332967 Mg\n0.400021 0.200011 0.332967 Mg\n0.799990 0.599979 0.332967 Mg\n0.600098 0.200196 0.333028 Mg\n0.600098 0.399902 0.333028 Mg\n0.799804 0.399902 0.333028 Mg\n0.399911 0.600089 0.333752 Mg\n0.200178 0.600089 0.333752 Mg\n0.399911 0.799823 0.333752 Mg\n0.599389 0.000176 0.333961 Mg\n0.400787 0.000176 0.333961 Mg\n0.400787 0.400611 0.333961 Mg\n0.999824 0.400611 0.333961 Mg\n0.999824 0.599213 0.333961 Mg\n0.599389 0.599213 0.333961 Mg\n0.200355 0.400709 0.334332 Mg\n0.599291 0.799645 0.334332 Mg\n0.200355 0.799646 0.334332 Mg\n0.799157 0.000327 0.334518 Mg\n0.201171 0.000328 0.334518 Mg\n0.999673 0.200843 0.334518 Mg\n0.201171 0.200843 0.334518 Mg\n0.799157 0.798830 0.334518 Mg\n0.999673 0.798830 0.334518 Mg\n0.000000 0.000000 0.334781 Mg\n0.866487 0.133513 0.500000 Mg\n0.267027 0.133513 0.500000 Mg\n0.066951 0.133901 0.500000 Mg\n0.666972 0.134023 0.500000 Mg\n0.467051 0.134023 0.500000 Mg\n0.865977 0.333028 0.500000 Mg\n0.467051 0.333028 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.267088 0.334006 0.500000 Mg\n0.066919 0.334007 0.500000 Mg\n0.666972 0.532949 0.500000 Mg\n0.865977 0.532949 0.500000 Mg\n0.066500 0.533250 0.500000 Mg\n0.466750 0.533250 0.500000 Mg\n0.266812 0.533624 0.500000 Mg\n0.665994 0.732913 0.500000 Mg\n0.066919 0.732913 0.500000 Mg\n0.866487 0.732974 0.500000 Mg\n0.466376 0.733188 0.500000 Mg\n0.266812 0.733189 0.500000 Mg\n0.866099 0.933049 0.500000 Mg\n0.066951 0.933049 0.500000 Mg\n0.267088 0.933081 0.500000 Mg\n0.665994 0.933081 0.500000 Mg\n0.466750 0.933500 0.500000 Mg\n0.000000 0.000000 0.665219 Mg\n0.799157 0.000327 0.665482 Mg\n0.201171 0.000328 0.665482 Mg\n0.999673 0.200843 0.665482 Mg\n0.201171 0.200843 0.665482 Mg\n0.799157 0.798830 0.665482 Mg\n0.999673 0.798830 0.665482 Mg\n0.200355 0.400709 0.665668 Mg\n0.599291 0.799645 0.665668 Mg\n0.200355 0.799646 0.665668 Mg\n0.599389 0.000176 0.666039 Mg\n0.400787 0.000176 0.666039 Mg\n0.400787 0.400611 0.666039 Mg\n0.999824 0.400611 0.666039 Mg\n0.999824 0.599213 0.666039 Mg\n0.599389 0.599213 0.666039 Mg\n0.399911 0.600089 0.666248 Mg\n0.200178 0.600089 0.666248 Mg\n0.399911 0.799823 0.666248 Mg\n0.600098 0.200196 0.666972 Mg\n0.600098 0.399902 0.666972 Mg\n0.799804 0.399902 0.666972 Mg\n0.799990 0.200011 0.667033 Mg\n0.400021 0.200011 0.667033 Mg\n0.799990 0.599979 0.667033 Mg\n0.068973 0.137946 0.828091 Mg\n0.862054 0.931027 0.828091 Mg\n0.068973 0.931027 0.828091 Mg\n0.268710 0.336792 0.831837 Mg\n0.068083 0.336793 0.831837 Mg\n0.068083 0.731290 0.831837 Mg\n0.663208 0.731290 0.831837 Mg\n0.663208 0.931917 0.831837 Mg\n0.268710 0.931917 0.831837 Mg\n0.267315 0.534630 0.832502 Mg\n0.465370 0.732685 0.832502 Mg\n0.267315 0.732685 0.832502 Mg\n0.066771 0.533385 0.832553 Mg\n0.466615 0.533386 0.832553 Mg\n0.466615 0.933229 0.832553 Mg\n0.667349 0.132746 0.833271 Mg\n0.465397 0.132746 0.833271 Mg\n0.867254 0.332651 0.833271 Mg\n0.465397 0.332651 0.833271 Mg\n0.667349 0.534603 0.833271 Mg\n0.867254 0.534603 0.833271 Mg\n0.666667 0.333333 0.833525 Mg\n0.868841 0.131159 0.835594 Mg\n0.262319 0.131159 0.835594 Mg\n0.868841 0.737682 0.835594 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 1.8112959013327457,
"density_atomic": 0.043497415885079604,
"volume": 3448.48071886157,
"volume_molar": 13.844824198086908,
"formula_full": "Ce1 Mg149",
"formula_reduced": "CeMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0011001956444412,
"spacegroup": 187
},
{
"id": "oqmd-31765",
"created_at": "2022-09-04T14:49:02.546509Z",
"updated_at": "2022-09-04T14:49:02.546537Z",
"structure_string": "Pm1 Mg149\n1.0\n13.824813 -7.981764 0.000000\n0.000000 15.963527 0.000000\n0.000000 0.000000 15.625452\nMg Pm\n149 1\ndirect\n0.599968 0.199935 0.000000 Mg\n0.401252 0.200626 0.000000 Mg\n0.799374 0.200626 0.000000 Mg\n0.003330 0.205607 0.000000 Mg\n0.202277 0.205607 0.000000 Mg\n0.599968 0.400033 0.000000 Mg\n0.800065 0.400033 0.000000 Mg\n0.000171 0.400219 0.000000 Mg\n0.400048 0.400220 0.000000 Mg\n0.201697 0.403395 0.000000 Mg\n0.799374 0.598748 0.000000 Mg\n0.000171 0.599952 0.000000 Mg\n0.599781 0.599953 0.000000 Mg\n0.200537 0.600268 0.000000 Mg\n0.399732 0.600268 0.000000 Mg\n0.794393 0.797723 0.000000 Mg\n0.003330 0.797723 0.000000 Mg\n0.596606 0.798303 0.000000 Mg\n0.201697 0.798303 0.000000 Mg\n0.399732 0.799464 0.000000 Mg\n0.794393 0.996670 0.000000 Mg\n0.202277 0.996670 0.000000 Mg\n0.400048 0.999829 0.000000 Mg\n0.599781 0.999829 0.000000 Mg\n0.262999 0.131499 0.164418 Mg\n0.868501 0.131500 0.164418 Mg\n0.868501 0.737001 0.164418 Mg\n0.666667 0.333333 0.166303 Mg\n0.465360 0.132758 0.166491 Mg\n0.667398 0.132758 0.166491 Mg\n0.465360 0.332602 0.166491 Mg\n0.867242 0.332602 0.166491 Mg\n0.867242 0.534640 0.166491 Mg\n0.667398 0.534640 0.166491 Mg\n0.066608 0.533304 0.167318 Mg\n0.466696 0.533304 0.167318 Mg\n0.466696 0.933393 0.167318 Mg\n0.267191 0.534382 0.167479 Mg\n0.465617 0.732808 0.167479 Mg\n0.267191 0.732808 0.167479 Mg\n0.067983 0.336023 0.167768 Mg\n0.268041 0.336023 0.167768 Mg\n0.663977 0.731960 0.167768 Mg\n0.067983 0.731960 0.167768 Mg\n0.268041 0.932017 0.167768 Mg\n0.663977 0.932018 0.167768 Mg\n0.068042 0.136085 0.170035 Mg\n0.068042 0.931957 0.170035 Mg\n0.863915 0.931958 0.170035 Mg\n0.399862 0.199931 0.332844 Mg\n0.800069 0.199931 0.332844 Mg\n0.800069 0.600137 0.332844 Mg\n0.600084 0.200168 0.332927 Mg\n0.799833 0.399916 0.332927 Mg\n0.600084 0.399917 0.332927 Mg\n0.799449 0.000000 0.333601 Mg\n0.200609 0.000000 0.333601 Mg\n0.200609 0.200551 0.333601 Mg\n0.000000 0.200551 0.333601 Mg\n0.799449 0.799391 0.333601 Mg\n0.000000 0.799391 0.333601 Mg\n0.400478 0.000214 0.333754 Mg\n0.599737 0.000215 0.333754 Mg\n0.999786 0.400263 0.333754 Mg\n0.400478 0.400264 0.333754 Mg\n0.599737 0.599522 0.333754 Mg\n0.999786 0.599522 0.333754 Mg\n0.399962 0.600038 0.333899 Mg\n0.200076 0.600038 0.333899 Mg\n0.399962 0.799924 0.333899 Mg\n0.200320 0.400641 0.334164 Mg\n0.599359 0.799679 0.334164 Mg\n0.200320 0.799680 0.334164 Mg\n0.000000 0.000000 0.334459 Mg\n0.266990 0.133495 0.500000 Mg\n0.866505 0.133495 0.500000 Mg\n0.066792 0.133583 0.500000 Mg\n0.467159 0.134265 0.500000 Mg\n0.667107 0.134265 0.500000 Mg\n0.467159 0.332893 0.500000 Mg\n0.865735 0.332893 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266911 0.333680 0.500000 Mg\n0.066769 0.333680 0.500000 Mg\n0.865735 0.532842 0.500000 Mg\n0.667107 0.532842 0.500000 Mg\n0.066284 0.533142 0.500000 Mg\n0.466858 0.533142 0.500000 Mg\n0.266760 0.533520 0.500000 Mg\n0.866505 0.733010 0.500000 Mg\n0.066769 0.733089 0.500000 Mg\n0.666320 0.733089 0.500000 Mg\n0.466479 0.733239 0.500000 Mg\n0.266760 0.733240 0.500000 Mg\n0.866418 0.933209 0.500000 Mg\n0.066792 0.933209 0.500000 Mg\n0.266911 0.933231 0.500000 Mg\n0.666320 0.933231 0.500000 Mg\n0.466858 0.933716 0.500000 Mg\n0.000000 0.000000 0.665542 Mg\n0.200320 0.400641 0.665836 Mg\n0.599359 0.799679 0.665836 Mg\n0.200320 0.799680 0.665836 Mg\n0.399962 0.600038 0.666101 Mg\n0.200076 0.600038 0.666101 Mg\n0.399962 0.799924 0.666101 Mg\n0.400478 0.000214 0.666246 Mg\n0.599737 0.000215 0.666246 Mg\n0.999786 0.400263 0.666246 Mg\n0.400478 0.400264 0.666246 Mg\n0.599737 0.599522 0.666246 Mg\n0.999786 0.599522 0.666246 Mg\n0.799449 0.000000 0.666399 Mg\n0.200609 0.000000 0.666399 Mg\n0.200609 0.200551 0.666399 Mg\n0.000000 0.200551 0.666399 Mg\n0.799449 0.799391 0.666399 Mg\n0.000000 0.799391 0.666399 Mg\n0.600084 0.200168 0.667073 Mg\n0.799833 0.399916 0.667073 Mg\n0.600084 0.399917 0.667073 Mg\n0.399862 0.199931 0.667156 Mg\n0.800069 0.199931 0.667156 Mg\n0.800069 0.600137 0.667156 Mg\n0.068042 0.136085 0.829964 Mg\n0.068042 0.931957 0.829964 Mg\n0.863915 0.931958 0.829964 Mg\n0.067983 0.336023 0.832233 Mg\n0.268041 0.336023 0.832233 Mg\n0.663977 0.731960 0.832233 Mg\n0.067983 0.731960 0.832233 Mg\n0.268041 0.932017 0.832233 Mg\n0.663977 0.932018 0.832233 Mg\n0.267191 0.534382 0.832522 Mg\n0.465617 0.732808 0.832522 Mg\n0.267191 0.732808 0.832522 Mg\n0.066608 0.533304 0.832682 Mg\n0.466696 0.533304 0.832682 Mg\n0.466696 0.933393 0.832682 Mg\n0.465360 0.132758 0.833509 Mg\n0.667398 0.132758 0.833509 Mg\n0.465360 0.332602 0.833509 Mg\n0.867242 0.332602 0.833509 Mg\n0.867242 0.534640 0.833509 Mg\n0.667398 0.534640 0.833509 Mg\n0.666667 0.333333 0.833697 Mg\n0.262999 0.131499 0.835582 Mg\n0.868501 0.131500 0.835582 Mg\n0.868501 0.737001 0.835582 Mg\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Pm"
],
"chemical_system": "Mg-Pm",
"density": 1.8136773176240923,
"density_atomic": 0.04349812663025478,
"volume": 3448.424371813491,
"volume_molar": 13.844597978183613,
"formula_full": "Pm1 Mg149",
"formula_reduced": "PmMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0001763947444411,
"spacegroup": 187
},
{
"id": "oqmd-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": [
"Mg",
"Sm"
],
"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",
"formation_energy": 0.0001684160444411,
"spacegroup": 187
}
]
}