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{
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{
"id": "oqmd-31717",
"created_at": "2022-09-04T14:49:01.155542Z",
"updated_at": "2022-09-04T14:49:01.155576Z",
"structure_string": "Mg149 B1\n1.0\n13.757037 -7.942633 0.000000\n0.000000 15.885265 0.000000\n0.000000 0.000000 15.584184\nB Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 B\n0.192582 0.001649 0.000000 Mg\n0.809067 0.001649 0.000000 Mg\n0.192582 0.190934 0.000000 Mg\n0.998352 0.190934 0.000000 Mg\n0.397887 0.198943 0.000000 Mg\n0.801057 0.198944 0.000000 Mg\n0.599886 0.199771 0.000000 Mg\n0.198189 0.396379 0.000000 Mg\n0.398690 0.398701 0.000000 Mg\n0.000000 0.398701 0.000000 Mg\n0.800229 0.400115 0.000000 Mg\n0.599886 0.400115 0.000000 Mg\n0.400178 0.599821 0.000000 Mg\n0.199643 0.599821 0.000000 Mg\n0.000000 0.601310 0.000000 Mg\n0.601300 0.601311 0.000000 Mg\n0.801057 0.602113 0.000000 Mg\n0.400178 0.800357 0.000000 Mg\n0.198189 0.801810 0.000000 Mg\n0.603621 0.801810 0.000000 Mg\n0.809067 0.807418 0.000000 Mg\n0.998352 0.807419 0.000000 Mg\n0.398690 0.000000 0.000000 Mg\n0.601300 0.000000 0.000000 Mg\n0.063791 0.127581 0.159516 Mg\n0.872419 0.936209 0.159516 Mg\n0.063791 0.936209 0.159516 Mg\n0.065751 0.330635 0.165483 Mg\n0.264883 0.330635 0.165483 Mg\n0.065751 0.735117 0.165483 Mg\n0.669366 0.735117 0.165483 Mg\n0.669366 0.934249 0.165483 Mg\n0.264883 0.934249 0.165483 Mg\n0.266145 0.532289 0.165931 Mg\n0.266145 0.733855 0.165931 Mg\n0.467710 0.733855 0.165931 Mg\n0.066490 0.533245 0.166068 Mg\n0.466755 0.533245 0.166068 Mg\n0.466755 0.933509 0.166068 Mg\n0.466635 0.133366 0.166419 Mg\n0.666731 0.133366 0.166419 Mg\n0.866634 0.333269 0.166419 Mg\n0.466635 0.333269 0.166419 Mg\n0.866634 0.533364 0.166419 Mg\n0.666731 0.533365 0.166419 Mg\n0.666667 0.333333 0.166423 Mg\n0.866381 0.133619 0.167051 Mg\n0.267238 0.133619 0.167051 Mg\n0.866381 0.732763 0.167051 Mg\n0.000000 0.000000 0.330591 Mg\n0.000375 0.199135 0.332264 Mg\n0.198761 0.199136 0.332264 Mg\n0.000375 0.801239 0.332264 Mg\n0.800864 0.801239 0.332264 Mg\n0.800864 0.999625 0.332264 Mg\n0.198761 0.999625 0.332264 Mg\n0.199731 0.399462 0.332621 Mg\n0.199731 0.800269 0.332621 Mg\n0.600538 0.800269 0.332621 Mg\n0.000196 0.399584 0.332746 Mg\n0.399388 0.399584 0.332746 Mg\n0.000196 0.600612 0.332746 Mg\n0.600416 0.600612 0.332746 Mg\n0.600416 0.999803 0.332746 Mg\n0.399388 0.999804 0.332746 Mg\n0.399999 0.600000 0.332962 Mg\n0.200002 0.600001 0.332962 Mg\n0.399999 0.799998 0.332962 Mg\n0.599909 0.199818 0.333133 Mg\n0.599909 0.400091 0.333133 Mg\n0.800182 0.400091 0.333133 Mg\n0.800260 0.199739 0.333282 Mg\n0.399479 0.199740 0.333282 Mg\n0.800260 0.600521 0.333282 Mg\n0.066336 0.132672 0.500000 Mg\n0.266174 0.133087 0.500000 Mg\n0.866913 0.133087 0.500000 Mg\n0.666628 0.133245 0.500000 Mg\n0.466617 0.133245 0.500000 Mg\n0.266230 0.332579 0.500000 Mg\n0.066349 0.332579 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866755 0.333372 0.500000 Mg\n0.466617 0.333372 0.500000 Mg\n0.266520 0.533041 0.500000 Mg\n0.066571 0.533285 0.500000 Mg\n0.466715 0.533286 0.500000 Mg\n0.666628 0.533383 0.500000 Mg\n0.866755 0.533383 0.500000 Mg\n0.466959 0.733479 0.500000 Mg\n0.266520 0.733479 0.500000 Mg\n0.066349 0.733770 0.500000 Mg\n0.667421 0.733770 0.500000 Mg\n0.866913 0.733825 0.500000 Mg\n0.466715 0.933429 0.500000 Mg\n0.667421 0.933652 0.500000 Mg\n0.266230 0.933652 0.500000 Mg\n0.066336 0.933664 0.500000 Mg\n0.867328 0.933664 0.500000 Mg\n0.800260 0.199739 0.666718 Mg\n0.399479 0.199740 0.666718 Mg\n0.800260 0.600521 0.666718 Mg\n0.599909 0.199818 0.666867 Mg\n0.599909 0.400091 0.666867 Mg\n0.800182 0.400091 0.666867 Mg\n0.399999 0.600000 0.667038 Mg\n0.200002 0.600001 0.667038 Mg\n0.399999 0.799998 0.667038 Mg\n0.000196 0.399584 0.667254 Mg\n0.399388 0.399584 0.667254 Mg\n0.000196 0.600612 0.667254 Mg\n0.600416 0.600612 0.667254 Mg\n0.600416 0.999803 0.667254 Mg\n0.399388 0.999804 0.667254 Mg\n0.199731 0.399462 0.667379 Mg\n0.199731 0.800269 0.667379 Mg\n0.600538 0.800269 0.667379 Mg\n0.000375 0.199135 0.667736 Mg\n0.198761 0.199136 0.667736 Mg\n0.000375 0.801239 0.667736 Mg\n0.800864 0.801239 0.667736 Mg\n0.800864 0.999625 0.667736 Mg\n0.198761 0.999625 0.667736 Mg\n0.000000 0.000000 0.669409 Mg\n0.866381 0.133619 0.832949 Mg\n0.267238 0.133619 0.832949 Mg\n0.866381 0.732763 0.832949 Mg\n0.666667 0.333333 0.833577 Mg\n0.466635 0.133366 0.833581 Mg\n0.666731 0.133366 0.833581 Mg\n0.866634 0.333269 0.833581 Mg\n0.466635 0.333269 0.833581 Mg\n0.866634 0.533364 0.833581 Mg\n0.666731 0.533365 0.833581 Mg\n0.066490 0.533245 0.833931 Mg\n0.466755 0.533245 0.833931 Mg\n0.466755 0.933509 0.833931 Mg\n0.266145 0.532289 0.834069 Mg\n0.266145 0.733855 0.834069 Mg\n0.467710 0.733855 0.834069 Mg\n0.065751 0.330635 0.834518 Mg\n0.264883 0.330635 0.834518 Mg\n0.065751 0.735117 0.834518 Mg\n0.669366 0.735117 0.834518 Mg\n0.669366 0.934249 0.834518 Mg\n0.264883 0.934249 0.834518 Mg\n0.063791 0.127581 0.840484 Mg\n0.872419 0.936209 0.840484 Mg\n0.063791 0.936209 0.840484 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"B",
"Mg"
],
"chemical_system": "B-Mg",
"density": 1.7710144740378013,
"density_atomic": 0.04404410834893812,
"volume": 3405.6768458480196,
"volume_molar": 13.67297689917973,
"formula_full": "Mg149 B1",
"formula_reduced": "Mg149B",
"formula_anonymous": "AB149",
"formation_energy": 0.0195602923611078,
"spacegroup": 187
},
{
"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-31731",
"created_at": "2022-09-04T14:49:01.111586Z",
"updated_at": "2022-09-04T14:49:01.111616Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Dy",
"Mg"
],
"chemical_system": "Dy-Mg",
"density": 1.8238949345959206,
"density_atomic": 0.04354087611494106,
"volume": 3445.0386254062414,
"volume_molar": 13.831005017222198,
"formula_full": "Dy1 Mg149",
"formula_reduced": "DyMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0001988421166633,
"spacegroup": 187
},
{
"id": "oqmd-31732",
"created_at": "2022-09-04T14:49:00.687401Z",
"updated_at": "2022-09-04T14:49:00.687429Z",
"structure_string": "Er1 Mg149\n1.0\n13.811100 -7.973846 0.000000\n0.000000 15.947691 0.000000\n0.000000 0.000000 15.624756\nEr Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Er\n0.599890 0.199780 0.000000 Mg\n0.400975 0.200487 0.000000 Mg\n0.799513 0.200487 0.000000 Mg\n0.200905 0.203621 0.000000 Mg\n0.002716 0.203621 0.000000 Mg\n0.000133 0.399922 0.000000 Mg\n0.399789 0.399922 0.000000 Mg\n0.599890 0.400110 0.000000 Mg\n0.800220 0.400110 0.000000 Mg\n0.201357 0.402714 0.000000 Mg\n0.799513 0.599025 0.000000 Mg\n0.399819 0.600181 0.000000 Mg\n0.200362 0.600181 0.000000 Mg\n0.600078 0.600210 0.000000 Mg\n0.000133 0.600211 0.000000 Mg\n0.201357 0.798643 0.000000 Mg\n0.597286 0.798643 0.000000 Mg\n0.002716 0.799095 0.000000 Mg\n0.796379 0.799095 0.000000 Mg\n0.399819 0.799638 0.000000 Mg\n0.796379 0.997284 0.000000 Mg\n0.200905 0.997284 0.000000 Mg\n0.399789 0.999868 0.000000 Mg\n0.600078 0.999868 0.000000 Mg\n0.263811 0.131906 0.164833 Mg\n0.868095 0.131906 0.164833 Mg\n0.868095 0.736189 0.164833 Mg\n0.666667 0.333333 0.166289 Mg\n0.667272 0.132846 0.166505 Mg\n0.465574 0.132846 0.166505 Mg\n0.867154 0.332728 0.166505 Mg\n0.465574 0.332728 0.166505 Mg\n0.867154 0.534426 0.166505 Mg\n0.667272 0.534426 0.166505 Mg\n0.466705 0.533295 0.167149 Mg\n0.066590 0.533295 0.167149 Mg\n0.466705 0.933410 0.167149 Mg\n0.267083 0.534166 0.167377 Mg\n0.267083 0.732917 0.167377 Mg\n0.465833 0.732917 0.167377 Mg\n0.067778 0.335461 0.167548 Mg\n0.267683 0.335461 0.167548 Mg\n0.664539 0.732317 0.167548 Mg\n0.067778 0.732317 0.167548 Mg\n0.664539 0.932221 0.167548 Mg\n0.267683 0.932221 0.167548 Mg\n0.067407 0.134813 0.168588 Mg\n0.067407 0.932593 0.168588 Mg\n0.865187 0.932594 0.168588 Mg\n0.800088 0.199913 0.332941 Mg\n0.399826 0.199913 0.332941 Mg\n0.800088 0.600175 0.332941 Mg\n0.600056 0.200113 0.332952 Mg\n0.600056 0.399943 0.332952 Mg\n0.799887 0.399944 0.332952 Mg\n0.200363 0.000000 0.333345 Mg\n0.799651 0.000000 0.333345 Mg\n0.200363 0.200349 0.333345 Mg\n0.000000 0.200349 0.333345 Mg\n0.000000 0.799637 0.333345 Mg\n0.799651 0.799637 0.333345 Mg\n0.599854 0.000195 0.333655 Mg\n0.400342 0.000195 0.333655 Mg\n0.999805 0.400146 0.333655 Mg\n0.400342 0.400147 0.333655 Mg\n0.999805 0.599658 0.333655 Mg\n0.599854 0.599659 0.333655 Mg\n0.399996 0.600003 0.333854 Mg\n0.200007 0.600004 0.333854 Mg\n0.399996 0.799993 0.333854 Mg\n0.200275 0.400550 0.334073 Mg\n0.200275 0.799725 0.334073 Mg\n0.599450 0.799725 0.334073 Mg\n0.000000 0.000000 0.334444 Mg\n0.266875 0.133438 0.500000 Mg\n0.866562 0.133438 0.500000 Mg\n0.066780 0.133560 0.500000 Mg\n0.667034 0.134137 0.500000 Mg\n0.467103 0.134138 0.500000 Mg\n0.865862 0.332965 0.500000 Mg\n0.467103 0.332965 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066671 0.333519 0.500000 Mg\n0.266848 0.333520 0.500000 Mg\n0.667034 0.532897 0.500000 Mg\n0.865862 0.532897 0.500000 Mg\n0.466864 0.533137 0.500000 Mg\n0.066273 0.533137 0.500000 Mg\n0.266730 0.533460 0.500000 Mg\n0.866562 0.733125 0.500000 Mg\n0.666481 0.733151 0.500000 Mg\n0.066671 0.733152 0.500000 Mg\n0.266730 0.733270 0.500000 Mg\n0.466540 0.733270 0.500000 Mg\n0.066780 0.933220 0.500000 Mg\n0.866440 0.933220 0.500000 Mg\n0.266848 0.933329 0.500000 Mg\n0.666481 0.933329 0.500000 Mg\n0.466864 0.933727 0.500000 Mg\n0.000000 0.000000 0.665556 Mg\n0.200275 0.400550 0.665927 Mg\n0.200275 0.799725 0.665927 Mg\n0.599450 0.799725 0.665927 Mg\n0.399996 0.600003 0.666147 Mg\n0.200007 0.600004 0.666147 Mg\n0.399996 0.799993 0.666147 Mg\n0.599854 0.000195 0.666344 Mg\n0.400342 0.000195 0.666344 Mg\n0.999805 0.400146 0.666344 Mg\n0.400342 0.400147 0.666344 Mg\n0.999805 0.599658 0.666344 Mg\n0.599854 0.599659 0.666344 Mg\n0.200363 0.000000 0.666656 Mg\n0.799651 0.000000 0.666656 Mg\n0.200363 0.200349 0.666656 Mg\n0.000000 0.200349 0.666656 Mg\n0.000000 0.799637 0.666656 Mg\n0.799651 0.799637 0.666656 Mg\n0.600056 0.200113 0.667048 Mg\n0.600056 0.399943 0.667048 Mg\n0.799887 0.399944 0.667048 Mg\n0.800088 0.199913 0.667059 Mg\n0.399826 0.199913 0.667059 Mg\n0.800088 0.600175 0.667059 Mg\n0.067407 0.134813 0.831412 Mg\n0.067407 0.932593 0.831412 Mg\n0.865187 0.932594 0.831412 Mg\n0.067778 0.335461 0.832452 Mg\n0.267683 0.335461 0.832452 Mg\n0.664539 0.732317 0.832452 Mg\n0.067778 0.732317 0.832452 Mg\n0.664539 0.932221 0.832452 Mg\n0.267683 0.932221 0.832452 Mg\n0.267083 0.534166 0.832624 Mg\n0.267083 0.732917 0.832624 Mg\n0.465833 0.732917 0.832624 Mg\n0.466705 0.533295 0.832851 Mg\n0.066590 0.533295 0.832851 Mg\n0.466705 0.933410 0.832851 Mg\n0.667272 0.132846 0.833495 Mg\n0.465574 0.132846 0.833495 Mg\n0.867154 0.332728 0.833495 Mg\n0.465574 0.332728 0.833495 Mg\n0.867154 0.534426 0.833495 Mg\n0.667272 0.534426 0.833495 Mg\n0.666667 0.333333 0.833711 Mg\n0.263811 0.131906 0.835168 Mg\n0.868095 0.131906 0.835168 Mg\n0.868095 0.736189 0.835168 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Er",
"Mg"
],
"chemical_system": "Er-Mg",
"density": 1.8281021013860295,
"density_atomic": 0.04358649362157733,
"volume": 3441.433057274951,
"volume_molar": 13.816529524684599,
"formula_full": "Er1 Mg149",
"formula_reduced": "ErMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0003141766277743,
"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,
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"elements": [
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{
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"density": 1.7738177811859643,
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"volume": 3420.191267424065,
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{
"id": "oqmd-31722",
"created_at": "2022-09-04T15:15:52.875486Z",
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"structure_string": "Mg149 C1\n1.0\n13.760980 -7.944909 0.000000\n0.000000 15.889818 0.000000\n0.000000 0.000000 15.557994\nC Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 C\n0.809908 0.001888 0.000000 Mg\n0.191980 0.001888 0.000000 Mg\n0.998112 0.190092 0.000000 Mg\n0.191980 0.190092 0.000000 Mg\n0.397600 0.198800 0.000000 Mg\n0.801200 0.198800 0.000000 Mg\n0.599993 0.199986 0.000000 Mg\n0.198025 0.396051 0.000000 Mg\n0.398878 0.398964 0.000000 Mg\n0.000000 0.398964 0.000000 Mg\n0.599993 0.400007 0.000000 Mg\n0.800014 0.400007 0.000000 Mg\n0.199781 0.599890 0.000000 Mg\n0.400110 0.599891 0.000000 Mg\n0.601036 0.601122 0.000000 Mg\n0.000000 0.601122 0.000000 Mg\n0.801200 0.602400 0.000000 Mg\n0.400110 0.800219 0.000000 Mg\n0.603949 0.801975 0.000000 Mg\n0.198025 0.801975 0.000000 Mg\n0.809908 0.808020 0.000000 Mg\n0.998112 0.808021 0.000000 Mg\n0.398878 0.000000 0.000000 Mg\n0.601036 0.000000 0.000000 Mg\n0.063533 0.127067 0.158792 Mg\n0.063533 0.936467 0.158792 Mg\n0.872933 0.936467 0.158792 Mg\n0.065524 0.330274 0.165232 Mg\n0.264751 0.330274 0.165232 Mg\n0.669726 0.735249 0.165232 Mg\n0.065524 0.735249 0.165232 Mg\n0.669726 0.934476 0.165232 Mg\n0.264751 0.934476 0.165232 Mg\n0.266061 0.532123 0.165575 Mg\n0.266061 0.733939 0.165575 Mg\n0.467877 0.733939 0.165575 Mg\n0.466787 0.533213 0.165939 Mg\n0.066426 0.533213 0.165939 Mg\n0.466787 0.933575 0.165939 Mg\n0.466625 0.133359 0.166235 Mg\n0.666734 0.133359 0.166235 Mg\n0.866641 0.333267 0.166235 Mg\n0.466625 0.333267 0.166235 Mg\n0.866641 0.533375 0.166235 Mg\n0.666734 0.533375 0.166235 Mg\n0.666667 0.333333 0.166281 Mg\n0.866470 0.133530 0.166930 Mg\n0.267061 0.133530 0.166930 Mg\n0.866470 0.732939 0.166930 Mg\n0.000000 0.000000 0.329951 Mg\n0.000371 0.199070 0.332184 Mg\n0.198699 0.199070 0.332184 Mg\n0.800930 0.801301 0.332184 Mg\n0.000371 0.801301 0.332184 Mg\n0.800930 0.999629 0.332184 Mg\n0.198699 0.999629 0.332184 Mg\n0.199694 0.399388 0.332420 Mg\n0.199694 0.800306 0.332420 Mg\n0.600612 0.800306 0.332420 Mg\n0.399980 0.600019 0.332669 Mg\n0.200039 0.600019 0.332669 Mg\n0.399980 0.799960 0.332669 Mg\n0.000303 0.399704 0.332689 Mg\n0.399400 0.399704 0.332689 Mg\n0.600296 0.600599 0.332689 Mg\n0.000303 0.600600 0.332689 Mg\n0.399400 0.999697 0.332689 Mg\n0.600296 0.999697 0.332689 Mg\n0.599898 0.199798 0.333019 Mg\n0.599898 0.400101 0.333019 Mg\n0.800202 0.400101 0.333019 Mg\n0.800312 0.199688 0.333135 Mg\n0.399376 0.199688 0.333135 Mg\n0.800312 0.600624 0.333135 Mg\n0.066346 0.132693 0.500000 Mg\n0.466480 0.133093 0.500000 Mg\n0.666613 0.133093 0.500000 Mg\n0.866899 0.133101 0.500000 Mg\n0.266203 0.133101 0.500000 Mg\n0.266161 0.332567 0.500000 Mg\n0.066406 0.332567 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866907 0.333387 0.500000 Mg\n0.466480 0.333387 0.500000 Mg\n0.266533 0.533067 0.500000 Mg\n0.466600 0.533399 0.500000 Mg\n0.066799 0.533400 0.500000 Mg\n0.866907 0.533520 0.500000 Mg\n0.666613 0.533520 0.500000 Mg\n0.466933 0.733467 0.500000 Mg\n0.266533 0.733467 0.500000 Mg\n0.866899 0.733798 0.500000 Mg\n0.667433 0.733839 0.500000 Mg\n0.066406 0.733839 0.500000 Mg\n0.466600 0.933201 0.500000 Mg\n0.667433 0.933594 0.500000 Mg\n0.266161 0.933595 0.500000 Mg\n0.066346 0.933654 0.500000 Mg\n0.867307 0.933654 0.500000 Mg\n0.800312 0.199688 0.666866 Mg\n0.399376 0.199688 0.666866 Mg\n0.800312 0.600624 0.666866 Mg\n0.599898 0.199798 0.666981 Mg\n0.599898 0.400101 0.666981 Mg\n0.800202 0.400101 0.666981 Mg\n0.000303 0.399704 0.667310 Mg\n0.399400 0.399704 0.667310 Mg\n0.600296 0.600599 0.667310 Mg\n0.000303 0.600600 0.667310 Mg\n0.399400 0.999697 0.667310 Mg\n0.600296 0.999697 0.667310 Mg\n0.399980 0.600019 0.667330 Mg\n0.200039 0.600019 0.667330 Mg\n0.399980 0.799960 0.667330 Mg\n0.199694 0.399388 0.667580 Mg\n0.199694 0.800306 0.667580 Mg\n0.600612 0.800306 0.667580 Mg\n0.000371 0.199070 0.667816 Mg\n0.198699 0.199070 0.667816 Mg\n0.800930 0.801301 0.667816 Mg\n0.000371 0.801301 0.667816 Mg\n0.800930 0.999629 0.667816 Mg\n0.198699 0.999629 0.667816 Mg\n0.000000 0.000000 0.670049 Mg\n0.866470 0.133530 0.833070 Mg\n0.267061 0.133530 0.833070 Mg\n0.866470 0.732939 0.833070 Mg\n0.666667 0.333333 0.833719 Mg\n0.466625 0.133359 0.833764 Mg\n0.666734 0.133359 0.833764 Mg\n0.866641 0.333267 0.833764 Mg\n0.466625 0.333267 0.833764 Mg\n0.866641 0.533375 0.833764 Mg\n0.666734 0.533375 0.833764 Mg\n0.466787 0.533213 0.834061 Mg\n0.066426 0.533213 0.834061 Mg\n0.466787 0.933575 0.834061 Mg\n0.266061 0.532123 0.834426 Mg\n0.266061 0.733939 0.834426 Mg\n0.467877 0.733939 0.834426 Mg\n0.065524 0.330274 0.834768 Mg\n0.264751 0.330274 0.834768 Mg\n0.669726 0.735249 0.834768 Mg\n0.065524 0.735249 0.834768 Mg\n0.669726 0.934476 0.834768 Mg\n0.264751 0.934476 0.834768 Mg\n0.063533 0.127067 0.841208 Mg\n0.063533 0.936467 0.841208 Mg\n0.872933 0.936467 0.841208 Mg\n",
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"elements": [
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"density": 1.7735648819330476,
"density_atomic": 0.044092972028052804,
"volume": 3401.9026865453093,
"volume_molar": 13.65782455346534,
"formula_full": "Mg149 C1",
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{
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"updated_at": "2022-09-04T14:49:03.147001Z",
"structure_string": "Mg149 Pd1\n1.0\n13.764510 -7.946948 0.000000\n0.000000 15.893894 0.000000\n0.000000 0.000000 15.569928\nMg Pd\n149 1\ndirect\n0.398578 0.000118 0.000000 Mg\n0.601540 0.000118 0.000000 Mg\n0.193294 0.001609 0.000000 Mg\n0.808316 0.001610 0.000000 Mg\n0.998391 0.191684 0.000000 Mg\n0.193294 0.191685 0.000000 Mg\n0.398273 0.199136 0.000000 Mg\n0.800864 0.199136 0.000000 Mg\n0.599853 0.199705 0.000000 Mg\n0.198519 0.397038 0.000000 Mg\n0.999882 0.398459 0.000000 Mg\n0.398578 0.398460 0.000000 Mg\n0.800295 0.400148 0.000000 Mg\n0.599853 0.400148 0.000000 Mg\n0.400167 0.599833 0.000000 Mg\n0.199666 0.599833 0.000000 Mg\n0.999882 0.601422 0.000000 Mg\n0.601540 0.601422 0.000000 Mg\n0.800864 0.601728 0.000000 Mg\n0.400167 0.800333 0.000000 Mg\n0.198519 0.801481 0.000000 Mg\n0.602962 0.801481 0.000000 Mg\n0.998391 0.806706 0.000000 Mg\n0.808316 0.806706 0.000000 Mg\n0.064115 0.128230 0.160023 Mg\n0.064115 0.935885 0.160023 Mg\n0.871770 0.935885 0.160023 Mg\n0.065884 0.331044 0.165590 Mg\n0.265159 0.331044 0.165590 Mg\n0.065884 0.734840 0.165590 Mg\n0.668956 0.734841 0.165590 Mg\n0.668956 0.934116 0.165590 Mg\n0.265159 0.934116 0.165590 Mg\n0.466692 0.533309 0.166043 Mg\n0.066618 0.533309 0.166043 Mg\n0.466692 0.933383 0.166043 Mg\n0.266272 0.532546 0.166083 Mg\n0.266272 0.733727 0.166083 Mg\n0.467454 0.733727 0.166083 Mg\n0.666512 0.133559 0.166594 Mg\n0.467048 0.133560 0.166594 Mg\n0.866441 0.333488 0.166594 Mg\n0.467048 0.333488 0.166594 Mg\n0.666512 0.532953 0.166594 Mg\n0.866441 0.532953 0.166594 Mg\n0.666667 0.333333 0.166666 Mg\n0.268226 0.134113 0.167281 Mg\n0.865887 0.134113 0.167281 Mg\n0.865887 0.731774 0.167281 Mg\n0.000000 0.000000 0.331369 Mg\n0.198888 0.199232 0.331923 Mg\n0.000344 0.199232 0.331923 Mg\n0.000344 0.801112 0.331923 Mg\n0.800768 0.801112 0.331923 Mg\n0.800768 0.999656 0.331923 Mg\n0.198888 0.999656 0.331923 Mg\n0.399488 0.399648 0.332759 Mg\n0.000160 0.399648 0.332759 Mg\n0.600352 0.600511 0.332759 Mg\n0.000160 0.600512 0.332759 Mg\n0.399488 0.999840 0.332759 Mg\n0.600352 0.999840 0.332759 Mg\n0.199856 0.399712 0.332876 Mg\n0.199856 0.800144 0.332876 Mg\n0.600288 0.800144 0.332876 Mg\n0.200032 0.600016 0.333134 Mg\n0.399984 0.600016 0.333134 Mg\n0.399984 0.799969 0.333134 Mg\n0.599944 0.199889 0.333395 Mg\n0.599944 0.400055 0.333395 Mg\n0.800111 0.400056 0.333395 Mg\n0.399884 0.199942 0.333594 Mg\n0.800058 0.199942 0.333594 Mg\n0.800058 0.600116 0.333594 Mg\n0.066456 0.132912 0.500000 Mg\n0.866916 0.133084 0.500000 Mg\n0.266169 0.133084 0.500000 Mg\n0.466617 0.133208 0.500000 Mg\n0.666592 0.133208 0.500000 Mg\n0.066342 0.332750 0.500000 Mg\n0.266408 0.332751 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866791 0.333408 0.500000 Mg\n0.466617 0.333408 0.500000 Mg\n0.266514 0.533027 0.500000 Mg\n0.466737 0.533263 0.500000 Mg\n0.066527 0.533264 0.500000 Mg\n0.866791 0.533383 0.500000 Mg\n0.666592 0.533383 0.500000 Mg\n0.466973 0.733487 0.500000 Mg\n0.266514 0.733487 0.500000 Mg\n0.066342 0.733592 0.500000 Mg\n0.667250 0.733592 0.500000 Mg\n0.866916 0.733832 0.500000 Mg\n0.466737 0.933473 0.500000 Mg\n0.066456 0.933544 0.500000 Mg\n0.867088 0.933544 0.500000 Mg\n0.667250 0.933658 0.500000 Mg\n0.266408 0.933658 0.500000 Mg\n0.399884 0.199942 0.666406 Mg\n0.800058 0.199942 0.666406 Mg\n0.800058 0.600116 0.666406 Mg\n0.599944 0.199889 0.666606 Mg\n0.599944 0.400055 0.666606 Mg\n0.800111 0.400056 0.666606 Mg\n0.200032 0.600016 0.666866 Mg\n0.399984 0.600016 0.666866 Mg\n0.399984 0.799969 0.666866 Mg\n0.199856 0.399712 0.667124 Mg\n0.199856 0.800144 0.667124 Mg\n0.600288 0.800144 0.667124 Mg\n0.399488 0.399648 0.667241 Mg\n0.000160 0.399648 0.667241 Mg\n0.600352 0.600511 0.667241 Mg\n0.000160 0.600512 0.667241 Mg\n0.399488 0.999840 0.667241 Mg\n0.600352 0.999840 0.667241 Mg\n0.198888 0.199232 0.668077 Mg\n0.000344 0.199232 0.668077 Mg\n0.000344 0.801112 0.668077 Mg\n0.800768 0.801112 0.668077 Mg\n0.800768 0.999656 0.668077 Mg\n0.198888 0.999656 0.668077 Mg\n0.000000 0.000000 0.668631 Mg\n0.268226 0.134113 0.832719 Mg\n0.865887 0.134113 0.832719 Mg\n0.865887 0.731774 0.832719 Mg\n0.666667 0.333333 0.833335 Mg\n0.666512 0.133559 0.833406 Mg\n0.467048 0.133560 0.833406 Mg\n0.866441 0.333488 0.833406 Mg\n0.467048 0.333488 0.833406 Mg\n0.666512 0.532953 0.833406 Mg\n0.866441 0.532953 0.833406 Mg\n0.266272 0.532546 0.833917 Mg\n0.266272 0.733727 0.833917 Mg\n0.467454 0.733727 0.833917 Mg\n0.466692 0.533309 0.833957 Mg\n0.066618 0.533309 0.833957 Mg\n0.466692 0.933383 0.833957 Mg\n0.065884 0.331044 0.834410 Mg\n0.265159 0.331044 0.834410 Mg\n0.065884 0.734840 0.834410 Mg\n0.668956 0.734841 0.834410 Mg\n0.668956 0.934116 0.834410 Mg\n0.265159 0.934116 0.834410 Mg\n0.064115 0.128230 0.839976 Mg\n0.064115 0.935885 0.839976 Mg\n0.871770 0.935885 0.839976 Mg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 1.817320818862798,
"density_atomic": 0.044036580379328255,
"volume": 3406.2590398234765,
"volume_molar": 13.675314268559614,
"formula_full": "Mg149 Pd1",
"formula_reduced": "Mg149Pd",
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},
{
"id": "oqmd-31741",
"created_at": "2022-09-04T14:49:03.096001Z",
"updated_at": "2022-09-04T14:49:03.096036Z",
"structure_string": "Mg149 Hg1\n1.0\n13.776160 -7.953673 0.000000\n0.000000 15.907347 0.000000\n0.000000 0.000000 15.631283\nHg Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Hg\n0.802017 0.000968 0.000000 Mg\n0.198951 0.000968 0.000000 Mg\n0.198951 0.197983 0.000000 Mg\n0.999032 0.197983 0.000000 Mg\n0.399549 0.199774 0.000000 Mg\n0.800226 0.199775 0.000000 Mg\n0.600010 0.200020 0.000000 Mg\n0.199344 0.398686 0.000000 Mg\n0.399778 0.399806 0.000000 Mg\n0.000000 0.399807 0.000000 Mg\n0.799980 0.399990 0.000000 Mg\n0.600010 0.399990 0.000000 Mg\n0.199942 0.599971 0.000000 Mg\n0.400029 0.599971 0.000000 Mg\n0.600193 0.600222 0.000000 Mg\n0.000000 0.600223 0.000000 Mg\n0.800226 0.600451 0.000000 Mg\n0.400029 0.800058 0.000000 Mg\n0.601313 0.800656 0.000000 Mg\n0.199344 0.800657 0.000000 Mg\n0.802017 0.801050 0.000000 Mg\n0.999032 0.801050 0.000000 Mg\n0.600193 0.000000 0.000000 Mg\n0.399778 0.000000 0.000000 Mg\n0.066135 0.132270 0.165510 Mg\n0.867730 0.933865 0.165510 Mg\n0.066135 0.933865 0.165510 Mg\n0.066334 0.332483 0.166266 Mg\n0.266149 0.332483 0.166266 Mg\n0.667517 0.733851 0.166266 Mg\n0.066334 0.733851 0.166266 Mg\n0.667517 0.933666 0.166266 Mg\n0.266149 0.933666 0.166266 Mg\n0.266511 0.533022 0.166531 Mg\n0.466978 0.733489 0.166531 Mg\n0.266511 0.733489 0.166531 Mg\n0.066736 0.533368 0.166563 Mg\n0.466632 0.533368 0.166563 Mg\n0.466632 0.933264 0.166563 Mg\n0.466813 0.133368 0.166602 Mg\n0.666555 0.133368 0.166602 Mg\n0.866632 0.333445 0.166602 Mg\n0.466813 0.333445 0.166602 Mg\n0.866632 0.533187 0.166602 Mg\n0.666555 0.533187 0.166602 Mg\n0.666667 0.333333 0.166632 Mg\n0.866290 0.133710 0.167208 Mg\n0.267420 0.133710 0.167208 Mg\n0.866290 0.732580 0.167208 Mg\n0.000000 0.000000 0.332566 Mg\n0.199908 0.399816 0.333102 Mg\n0.600184 0.800092 0.333102 Mg\n0.199908 0.800092 0.333102 Mg\n0.000000 0.399871 0.333130 Mg\n0.399863 0.399872 0.333130 Mg\n0.600129 0.600138 0.333130 Mg\n0.000000 0.600138 0.333130 Mg\n0.399863 0.000000 0.333130 Mg\n0.600129 0.000000 0.333130 Mg\n0.000106 0.199848 0.333168 Mg\n0.199742 0.199848 0.333168 Mg\n0.800152 0.800258 0.333168 Mg\n0.000106 0.800258 0.333168 Mg\n0.199742 0.999894 0.333168 Mg\n0.800152 0.999894 0.333168 Mg\n0.600002 0.200003 0.333257 Mg\n0.799997 0.399998 0.333257 Mg\n0.600002 0.399999 0.333257 Mg\n0.399992 0.600008 0.333312 Mg\n0.200017 0.600008 0.333312 Mg\n0.399992 0.799983 0.333312 Mg\n0.799978 0.200021 0.333368 Mg\n0.400043 0.200021 0.333368 Mg\n0.799978 0.599957 0.333368 Mg\n0.066570 0.133140 0.500000 Mg\n0.266613 0.133307 0.500000 Mg\n0.866694 0.133307 0.500000 Mg\n0.466696 0.133323 0.500000 Mg\n0.666627 0.133323 0.500000 Mg\n0.266655 0.333240 0.500000 Mg\n0.066585 0.333240 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466696 0.333373 0.500000 Mg\n0.866677 0.333373 0.500000 Mg\n0.266625 0.533250 0.500000 Mg\n0.066561 0.533280 0.500000 Mg\n0.466719 0.533280 0.500000 Mg\n0.666627 0.533303 0.500000 Mg\n0.866677 0.533304 0.500000 Mg\n0.666760 0.733345 0.500000 Mg\n0.066585 0.733345 0.500000 Mg\n0.466750 0.733375 0.500000 Mg\n0.266625 0.733375 0.500000 Mg\n0.866694 0.733387 0.500000 Mg\n0.666760 0.933415 0.500000 Mg\n0.266655 0.933415 0.500000 Mg\n0.066570 0.933429 0.500000 Mg\n0.866860 0.933430 0.500000 Mg\n0.466719 0.933439 0.500000 Mg\n0.799978 0.200021 0.666632 Mg\n0.400043 0.200021 0.666632 Mg\n0.799978 0.599957 0.666632 Mg\n0.399992 0.600008 0.666688 Mg\n0.200017 0.600008 0.666688 Mg\n0.399992 0.799983 0.666688 Mg\n0.600002 0.200003 0.666742 Mg\n0.799997 0.399998 0.666742 Mg\n0.600002 0.399999 0.666742 Mg\n0.000106 0.199848 0.666831 Mg\n0.199742 0.199848 0.666831 Mg\n0.800152 0.800258 0.666831 Mg\n0.000106 0.800258 0.666831 Mg\n0.199742 0.999894 0.666831 Mg\n0.800152 0.999894 0.666831 Mg\n0.000000 0.399871 0.666870 Mg\n0.399863 0.399872 0.666870 Mg\n0.600129 0.600138 0.666870 Mg\n0.000000 0.600138 0.666870 Mg\n0.399863 0.000000 0.666870 Mg\n0.600129 0.000000 0.666870 Mg\n0.199908 0.399816 0.666898 Mg\n0.600184 0.800092 0.666898 Mg\n0.199908 0.800092 0.666898 Mg\n0.000000 0.000000 0.667434 Mg\n0.866290 0.133710 0.832792 Mg\n0.267420 0.133710 0.832792 Mg\n0.866290 0.732580 0.832792 Mg\n0.666667 0.333333 0.833368 Mg\n0.466813 0.133368 0.833397 Mg\n0.666555 0.133368 0.833397 Mg\n0.866632 0.333445 0.833397 Mg\n0.466813 0.333445 0.833397 Mg\n0.866632 0.533187 0.833397 Mg\n0.666555 0.533187 0.833397 Mg\n0.066736 0.533368 0.833437 Mg\n0.466632 0.533368 0.833437 Mg\n0.466632 0.933264 0.833437 Mg\n0.266511 0.533022 0.833468 Mg\n0.466978 0.733489 0.833468 Mg\n0.266511 0.733489 0.833468 Mg\n0.066334 0.332483 0.833735 Mg\n0.266149 0.332483 0.833735 Mg\n0.667517 0.733851 0.833735 Mg\n0.066334 0.733851 0.833735 Mg\n0.667517 0.933666 0.833735 Mg\n0.266149 0.933666 0.833735 Mg\n0.066135 0.132270 0.834490 Mg\n0.867730 0.933865 0.834490 Mg\n0.066135 0.933865 0.834490 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Hg",
"Mg"
],
"chemical_system": "Hg-Mg",
"density": 1.8527772026368237,
"density_atomic": 0.04378957197561188,
"volume": 3425.473080292743,
"volume_molar": 13.75245403940912,
"formula_full": "Mg149 Hg1",
"formula_reduced": "Mg149Hg",
"formula_anonymous": "AB149",
"formation_energy": -0.0028454366720006,
"spacegroup": 187
},
{
"id": "oqmd-31745",
"created_at": "2022-09-04T14:49:02.354674Z",
"updated_at": "2022-09-04T14:49:02.354698Z",
"structure_string": "Mg149 Ir1\n1.0\n13.766560 -7.948131 0.000000\n0.000000 15.896261 0.000000\n0.000000 0.000000 15.540043\nIr Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ir\n0.602541 0.000339 0.000000 Mg\n0.397799 0.000339 0.000000 Mg\n0.812592 0.002181 0.000000 Mg\n0.189589 0.002181 0.000000 Mg\n0.997819 0.187408 0.000000 Mg\n0.189589 0.187408 0.000000 Mg\n0.801226 0.198773 0.000000 Mg\n0.397547 0.198773 0.000000 Mg\n0.599815 0.199631 0.000000 Mg\n0.197922 0.395843 0.000000 Mg\n0.999661 0.397459 0.000000 Mg\n0.397799 0.397459 0.000000 Mg\n0.599815 0.400185 0.000000 Mg\n0.800369 0.400185 0.000000 Mg\n0.199466 0.599733 0.000000 Mg\n0.400267 0.599733 0.000000 Mg\n0.999661 0.602201 0.000000 Mg\n0.602541 0.602201 0.000000 Mg\n0.801226 0.602453 0.000000 Mg\n0.400267 0.800534 0.000000 Mg\n0.604157 0.802078 0.000000 Mg\n0.197922 0.802078 0.000000 Mg\n0.812592 0.810411 0.000000 Mg\n0.997819 0.810411 0.000000 Mg\n0.062792 0.125584 0.156578 Mg\n0.874417 0.937208 0.156578 Mg\n0.062792 0.937208 0.156578 Mg\n0.065655 0.330079 0.165095 Mg\n0.264423 0.330079 0.165095 Mg\n0.065655 0.735577 0.165095 Mg\n0.669921 0.735577 0.165095 Mg\n0.669921 0.934344 0.165095 Mg\n0.264423 0.934344 0.165095 Mg\n0.466696 0.533304 0.165822 Mg\n0.066609 0.533304 0.165822 Mg\n0.466696 0.933392 0.165822 Mg\n0.266168 0.532336 0.165965 Mg\n0.266168 0.733832 0.165965 Mg\n0.467664 0.733832 0.165965 Mg\n0.666437 0.133682 0.166670 Mg\n0.467245 0.133682 0.166670 Mg\n0.467245 0.333562 0.166670 Mg\n0.866318 0.333563 0.166670 Mg\n0.866318 0.532755 0.166670 Mg\n0.666437 0.532756 0.166670 Mg\n0.666667 0.333333 0.166822 Mg\n0.269179 0.134590 0.167538 Mg\n0.865410 0.134590 0.167538 Mg\n0.865410 0.730820 0.167538 Mg\n0.000000 0.000000 0.330982 Mg\n0.000455 0.198848 0.331090 Mg\n0.198393 0.198848 0.331090 Mg\n0.801151 0.801607 0.331090 Mg\n0.000455 0.801607 0.331090 Mg\n0.801151 0.999544 0.331090 Mg\n0.198393 0.999545 0.331090 Mg\n0.399282 0.399532 0.332566 Mg\n0.000250 0.399532 0.332566 Mg\n0.600468 0.600718 0.332566 Mg\n0.000250 0.600718 0.332566 Mg\n0.399282 0.999750 0.332566 Mg\n0.600468 0.999750 0.332566 Mg\n0.199810 0.399619 0.332673 Mg\n0.199810 0.800190 0.332673 Mg\n0.600381 0.800190 0.332673 Mg\n0.200080 0.600040 0.333073 Mg\n0.399960 0.600040 0.333073 Mg\n0.399960 0.799920 0.333073 Mg\n0.599920 0.199839 0.333522 Mg\n0.599920 0.400080 0.333522 Mg\n0.800161 0.400080 0.333522 Mg\n0.800045 0.199955 0.333706 Mg\n0.399910 0.199955 0.333706 Mg\n0.800045 0.600090 0.333706 Mg\n0.066414 0.132828 0.500000 Mg\n0.265884 0.132942 0.500000 Mg\n0.867058 0.132942 0.500000 Mg\n0.666593 0.133117 0.500000 Mg\n0.466525 0.133117 0.500000 Mg\n0.066293 0.332611 0.500000 Mg\n0.266318 0.332611 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866883 0.333407 0.500000 Mg\n0.466525 0.333407 0.500000 Mg\n0.266468 0.532937 0.500000 Mg\n0.466736 0.533264 0.500000 Mg\n0.066528 0.533264 0.500000 Mg\n0.866883 0.533475 0.500000 Mg\n0.666593 0.533476 0.500000 Mg\n0.266468 0.733531 0.500000 Mg\n0.467063 0.733531 0.500000 Mg\n0.066293 0.733682 0.500000 Mg\n0.667389 0.733682 0.500000 Mg\n0.867058 0.734115 0.500000 Mg\n0.466736 0.933472 0.500000 Mg\n0.066414 0.933586 0.500000 Mg\n0.867172 0.933586 0.500000 Mg\n0.266318 0.933706 0.500000 Mg\n0.667389 0.933707 0.500000 Mg\n0.800045 0.199955 0.666294 Mg\n0.399910 0.199955 0.666294 Mg\n0.800045 0.600090 0.666294 Mg\n0.599920 0.199839 0.666479 Mg\n0.599920 0.400080 0.666479 Mg\n0.800161 0.400080 0.666479 Mg\n0.200080 0.600040 0.666927 Mg\n0.399960 0.600040 0.666927 Mg\n0.399960 0.799920 0.666927 Mg\n0.199810 0.399619 0.667327 Mg\n0.199810 0.800190 0.667327 Mg\n0.600381 0.800190 0.667327 Mg\n0.399282 0.399532 0.667434 Mg\n0.000250 0.399532 0.667434 Mg\n0.600468 0.600718 0.667434 Mg\n0.000250 0.600718 0.667434 Mg\n0.399282 0.999750 0.667434 Mg\n0.600468 0.999750 0.667434 Mg\n0.000455 0.198848 0.668909 Mg\n0.198393 0.198848 0.668909 Mg\n0.801151 0.801607 0.668909 Mg\n0.000455 0.801607 0.668909 Mg\n0.801151 0.999544 0.668909 Mg\n0.198393 0.999545 0.668909 Mg\n0.000000 0.000000 0.669018 Mg\n0.269179 0.134590 0.832462 Mg\n0.865410 0.134590 0.832462 Mg\n0.865410 0.730820 0.832462 Mg\n0.666667 0.333333 0.833179 Mg\n0.666437 0.133682 0.833330 Mg\n0.467245 0.133682 0.833330 Mg\n0.467245 0.333562 0.833330 Mg\n0.866318 0.333563 0.833330 Mg\n0.866318 0.532755 0.833330 Mg\n0.666437 0.532756 0.833330 Mg\n0.266168 0.532336 0.834035 Mg\n0.266168 0.733832 0.834035 Mg\n0.467664 0.733832 0.834035 Mg\n0.466696 0.533304 0.834179 Mg\n0.066609 0.533304 0.834179 Mg\n0.466696 0.933392 0.834179 Mg\n0.065655 0.330079 0.834904 Mg\n0.264423 0.330079 0.834904 Mg\n0.065655 0.735577 0.834904 Mg\n0.669921 0.735577 0.834904 Mg\n0.669921 0.934344 0.834904 Mg\n0.264423 0.934344 0.834904 Mg\n0.062792 0.125584 0.843422 Mg\n0.874417 0.937208 0.843422 Mg\n0.062792 0.937208 0.843422 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ir",
"Mg"
],
"chemical_system": "Ir-Mg",
"density": 1.862167162339299,
"density_atomic": 0.04410812799141257,
"volume": 3400.7337611154926,
"volume_molar": 13.653131597814474,
"formula_full": "Mg149 Ir1",
"formula_reduced": "Mg149Ir",
"formula_anonymous": "AB149",
"formation_energy": -0.0051818009055587,
"spacegroup": 187
},
{
"id": "oqmd-31780",
"created_at": "2022-09-04T14:49:02.168668Z",
"updated_at": "2022-09-04T14:49:02.168702Z",
"structure_string": "Sr1 Mg149\n1.0\n13.826096 -7.982504 0.000000\n0.000000 15.965007 0.000000\n0.000000 0.000000 15.660999\nMg Sr\n149 1\ndirect\n0.600151 0.200303 0.000000 Mg\n0.401603 0.200801 0.000000 Mg\n0.799199 0.200802 0.000000 Mg\n0.003315 0.209915 0.000000 Mg\n0.206601 0.209915 0.000000 Mg\n0.600151 0.399848 0.000000 Mg\n0.799697 0.399849 0.000000 Mg\n0.000331 0.401913 0.000000 Mg\n0.401583 0.401914 0.000000 Mg\n0.202052 0.404104 0.000000 Mg\n0.799199 0.598397 0.000000 Mg\n0.598086 0.598417 0.000000 Mg\n0.000331 0.598417 0.000000 Mg\n0.200778 0.600389 0.000000 Mg\n0.399612 0.600389 0.000000 Mg\n0.790085 0.793399 0.000000 Mg\n0.003315 0.793400 0.000000 Mg\n0.595896 0.797948 0.000000 Mg\n0.202052 0.797948 0.000000 Mg\n0.399612 0.799223 0.000000 Mg\n0.790085 0.996685 0.000000 Mg\n0.206601 0.996685 0.000000 Mg\n0.401583 0.999669 0.000000 Mg\n0.598086 0.999669 0.000000 Mg\n0.262897 0.131449 0.164573 Mg\n0.868552 0.131449 0.164573 Mg\n0.868552 0.737103 0.164573 Mg\n0.666667 0.333333 0.166313 Mg\n0.667295 0.132862 0.166569 Mg\n0.465567 0.132862 0.166569 Mg\n0.465567 0.332705 0.166569 Mg\n0.867138 0.332706 0.166569 Mg\n0.667295 0.534433 0.166569 Mg\n0.867138 0.534433 0.166569 Mg\n0.267188 0.534376 0.167427 Mg\n0.465624 0.732812 0.167427 Mg\n0.267188 0.732812 0.167427 Mg\n0.066673 0.533336 0.167475 Mg\n0.466663 0.533336 0.167475 Mg\n0.466663 0.933326 0.167475 Mg\n0.268537 0.336432 0.168059 Mg\n0.067895 0.336432 0.168059 Mg\n0.067895 0.731463 0.168059 Mg\n0.663568 0.731463 0.168059 Mg\n0.268537 0.932105 0.168059 Mg\n0.663568 0.932105 0.168059 Mg\n0.069545 0.139090 0.173460 Mg\n0.860910 0.930455 0.173460 Mg\n0.069545 0.930455 0.173460 Mg\n0.399882 0.199941 0.332794 Mg\n0.800059 0.199941 0.332794 Mg\n0.800059 0.600118 0.332794 Mg\n0.600075 0.200149 0.332997 Mg\n0.799851 0.399926 0.332997 Mg\n0.600075 0.399926 0.332997 Mg\n0.200020 0.600010 0.333794 Mg\n0.399990 0.600010 0.333794 Mg\n0.399990 0.799980 0.333794 Mg\n0.599606 0.000215 0.333866 Mg\n0.400609 0.000215 0.333866 Mg\n0.999785 0.400394 0.333866 Mg\n0.400609 0.400394 0.333866 Mg\n0.999785 0.599391 0.333866 Mg\n0.599606 0.599391 0.333866 Mg\n0.200230 0.400460 0.334085 Mg\n0.599540 0.799770 0.334085 Mg\n0.200230 0.799770 0.334085 Mg\n0.000000 0.000000 0.334486 Mg\n0.799080 0.000400 0.334721 Mg\n0.201320 0.000401 0.334721 Mg\n0.201320 0.200919 0.334721 Mg\n0.999600 0.200920 0.334721 Mg\n0.999600 0.798680 0.334721 Mg\n0.799080 0.798680 0.334721 Mg\n0.066787 0.133573 0.500000 Mg\n0.866422 0.133578 0.500000 Mg\n0.267156 0.133578 0.500000 Mg\n0.666961 0.134008 0.500000 Mg\n0.467047 0.134008 0.500000 Mg\n0.467047 0.333038 0.500000 Mg\n0.865992 0.333039 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066900 0.333872 0.500000 Mg\n0.266973 0.333872 0.500000 Mg\n0.666961 0.532953 0.500000 Mg\n0.865992 0.532953 0.500000 Mg\n0.066538 0.533269 0.500000 Mg\n0.466731 0.533269 0.500000 Mg\n0.266839 0.533678 0.500000 Mg\n0.866422 0.732844 0.500000 Mg\n0.666127 0.733027 0.500000 Mg\n0.066900 0.733027 0.500000 Mg\n0.466322 0.733161 0.500000 Mg\n0.266839 0.733161 0.500000 Mg\n0.666127 0.933100 0.500000 Mg\n0.266973 0.933101 0.500000 Mg\n0.866427 0.933213 0.500000 Mg\n0.066787 0.933213 0.500000 Mg\n0.466731 0.933462 0.500000 Mg\n0.799080 0.000400 0.665279 Mg\n0.201320 0.000401 0.665279 Mg\n0.201320 0.200919 0.665279 Mg\n0.999600 0.200920 0.665279 Mg\n0.999600 0.798680 0.665279 Mg\n0.799080 0.798680 0.665279 Mg\n0.000000 0.000000 0.665514 Mg\n0.200230 0.400460 0.665915 Mg\n0.599540 0.799770 0.665915 Mg\n0.200230 0.799770 0.665915 Mg\n0.599606 0.000215 0.666134 Mg\n0.400609 0.000215 0.666134 Mg\n0.999785 0.400394 0.666134 Mg\n0.400609 0.400394 0.666134 Mg\n0.999785 0.599391 0.666134 Mg\n0.599606 0.599391 0.666134 Mg\n0.200020 0.600010 0.666207 Mg\n0.399990 0.600010 0.666207 Mg\n0.399990 0.799980 0.666207 Mg\n0.600075 0.200149 0.667003 Mg\n0.799851 0.399926 0.667003 Mg\n0.600075 0.399926 0.667003 Mg\n0.399882 0.199941 0.667206 Mg\n0.800059 0.199941 0.667206 Mg\n0.800059 0.600118 0.667206 Mg\n0.069545 0.139090 0.826541 Mg\n0.860910 0.930455 0.826541 Mg\n0.069545 0.930455 0.826541 Mg\n0.268537 0.336432 0.831941 Mg\n0.067895 0.336432 0.831941 Mg\n0.067895 0.731463 0.831941 Mg\n0.663568 0.731463 0.831941 Mg\n0.268537 0.932105 0.831941 Mg\n0.663568 0.932105 0.831941 Mg\n0.066673 0.533336 0.832525 Mg\n0.466663 0.533336 0.832525 Mg\n0.466663 0.933326 0.832525 Mg\n0.267188 0.534376 0.832573 Mg\n0.465624 0.732812 0.832573 Mg\n0.267188 0.732812 0.832573 Mg\n0.667295 0.132862 0.833432 Mg\n0.465567 0.132862 0.833432 Mg\n0.465567 0.332705 0.833432 Mg\n0.867138 0.332706 0.833432 Mg\n0.667295 0.534433 0.833432 Mg\n0.867138 0.534433 0.833432 Mg\n0.666667 0.333333 0.833688 Mg\n0.262897 0.131449 0.835427 Mg\n0.868552 0.131449 0.835427 Mg\n0.868552 0.737103 0.835427 Mg\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Sr"
],
"chemical_system": "Mg-Sr",
"density": 1.7816623333704362,
"density_atomic": 0.04339134537432481,
"volume": 3456.9105591447465,
"volume_molar": 13.87866798793331,
"formula_full": "Sr1 Mg149",
"formula_reduced": "SrMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0038008336277744,
"spacegroup": 187
}
]
}