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{
"count": 1013513,
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"results": [
{
"id": "oqmd-31731",
"created_at": "2022-09-04T14:49:01.111586Z",
"updated_at": "2022-09-04T14:49:01.111616Z",
"structure_string": "Dy1 Mg149\n1.0\n13.819234 -7.978542 0.000000\n0.000000 15.957084 0.000000\n0.000000 0.000000 15.622718\nDy Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Dy\n0.599938 0.199876 0.000000 Mg\n0.799541 0.200459 0.000000 Mg\n0.400918 0.200459 0.000000 Mg\n0.002916 0.204104 0.000000 Mg\n0.201188 0.204104 0.000000 Mg\n0.000133 0.399893 0.000000 Mg\n0.399760 0.399893 0.000000 Mg\n0.800124 0.400062 0.000000 Mg\n0.599938 0.400062 0.000000 Mg\n0.201478 0.402956 0.000000 Mg\n0.799541 0.599082 0.000000 Mg\n0.200434 0.600217 0.000000 Mg\n0.399783 0.600217 0.000000 Mg\n0.000133 0.600240 0.000000 Mg\n0.600106 0.600240 0.000000 Mg\n0.201478 0.798522 0.000000 Mg\n0.597044 0.798522 0.000000 Mg\n0.002916 0.798812 0.000000 Mg\n0.795896 0.798812 0.000000 Mg\n0.399783 0.799566 0.000000 Mg\n0.795896 0.997084 0.000000 Mg\n0.201188 0.997084 0.000000 Mg\n0.399760 0.999866 0.000000 Mg\n0.600106 0.999867 0.000000 Mg\n0.263573 0.131787 0.164718 Mg\n0.868213 0.131787 0.164718 Mg\n0.868213 0.736427 0.164718 Mg\n0.666666 0.333333 0.166326 Mg\n0.465498 0.132819 0.166518 Mg\n0.667320 0.132819 0.166518 Mg\n0.465498 0.332680 0.166518 Mg\n0.867181 0.332680 0.166518 Mg\n0.667320 0.534501 0.166518 Mg\n0.867181 0.534501 0.166518 Mg\n0.066597 0.533298 0.167262 Mg\n0.466701 0.533299 0.167262 Mg\n0.466701 0.933403 0.167262 Mg\n0.267147 0.534292 0.167459 Mg\n0.465707 0.732854 0.167459 Mg\n0.267147 0.732854 0.167459 Mg\n0.267767 0.335630 0.167633 Mg\n0.067863 0.335630 0.167633 Mg\n0.067863 0.732233 0.167633 Mg\n0.664370 0.732233 0.167633 Mg\n0.267767 0.932136 0.167633 Mg\n0.664370 0.932137 0.167633 Mg\n0.067525 0.135050 0.168884 Mg\n0.864950 0.932475 0.168884 Mg\n0.067525 0.932475 0.168884 Mg\n0.399887 0.199943 0.332902 Mg\n0.800057 0.199944 0.332902 Mg\n0.800057 0.600113 0.332902 Mg\n0.600079 0.200158 0.332948 Mg\n0.600079 0.399921 0.332948 Mg\n0.799842 0.399921 0.332948 Mg\n0.000000 0.200421 0.333389 Mg\n0.200405 0.200421 0.333389 Mg\n0.000000 0.799594 0.333389 Mg\n0.799579 0.799594 0.333389 Mg\n0.200405 0.000000 0.333389 Mg\n0.799579 0.000000 0.333389 Mg\n0.400430 0.000216 0.333743 Mg\n0.599787 0.000216 0.333743 Mg\n0.999783 0.400214 0.333743 Mg\n0.400430 0.400214 0.333743 Mg\n0.999783 0.599570 0.333743 Mg\n0.599787 0.599570 0.333743 Mg\n0.399979 0.600020 0.333879 Mg\n0.200041 0.600020 0.333879 Mg\n0.399979 0.799959 0.333879 Mg\n0.200307 0.400614 0.334140 Mg\n0.200307 0.799692 0.334140 Mg\n0.599386 0.799693 0.334140 Mg\n0.000000 0.000000 0.334444 Mg\n0.267005 0.133503 0.500000 Mg\n0.866497 0.133503 0.500000 Mg\n0.066800 0.133599 0.500000 Mg\n0.467119 0.134176 0.500000 Mg\n0.667058 0.134177 0.500000 Mg\n0.467119 0.332942 0.500000 Mg\n0.865824 0.332942 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066748 0.333661 0.500000 Mg\n0.266913 0.333661 0.500000 Mg\n0.667058 0.532881 0.500000 Mg\n0.865824 0.532881 0.500000 Mg\n0.066318 0.533159 0.500000 Mg\n0.466841 0.533159 0.500000 Mg\n0.266762 0.533523 0.500000 Mg\n0.866497 0.732995 0.500000 Mg\n0.066748 0.733087 0.500000 Mg\n0.666339 0.733087 0.500000 Mg\n0.466477 0.733238 0.500000 Mg\n0.266762 0.733238 0.500000 Mg\n0.066800 0.933200 0.500000 Mg\n0.866401 0.933200 0.500000 Mg\n0.266913 0.933252 0.500000 Mg\n0.666339 0.933252 0.500000 Mg\n0.466841 0.933683 0.500000 Mg\n0.000000 0.000000 0.665556 Mg\n0.200307 0.400614 0.665860 Mg\n0.200307 0.799692 0.665860 Mg\n0.599386 0.799693 0.665860 Mg\n0.399979 0.600020 0.666121 Mg\n0.200041 0.600020 0.666121 Mg\n0.399979 0.799959 0.666121 Mg\n0.400430 0.000216 0.666257 Mg\n0.599787 0.000216 0.666257 Mg\n0.999783 0.400214 0.666257 Mg\n0.400430 0.400214 0.666257 Mg\n0.999783 0.599570 0.666257 Mg\n0.599787 0.599570 0.666257 Mg\n0.000000 0.200421 0.666611 Mg\n0.200405 0.200421 0.666611 Mg\n0.000000 0.799594 0.666611 Mg\n0.799579 0.799594 0.666611 Mg\n0.200405 0.000000 0.666611 Mg\n0.799579 0.000000 0.666611 Mg\n0.600079 0.200158 0.667052 Mg\n0.600079 0.399921 0.667052 Mg\n0.799842 0.399921 0.667052 Mg\n0.399887 0.199943 0.667098 Mg\n0.800057 0.199944 0.667098 Mg\n0.800057 0.600113 0.667098 Mg\n0.067525 0.135050 0.831116 Mg\n0.864950 0.932475 0.831116 Mg\n0.067525 0.932475 0.831116 Mg\n0.267767 0.335630 0.832367 Mg\n0.067863 0.335630 0.832367 Mg\n0.067863 0.732233 0.832367 Mg\n0.664370 0.732233 0.832367 Mg\n0.267767 0.932136 0.832367 Mg\n0.664370 0.932137 0.832367 Mg\n0.267147 0.534292 0.832541 Mg\n0.465707 0.732854 0.832541 Mg\n0.267147 0.732854 0.832541 Mg\n0.066597 0.533298 0.832738 Mg\n0.466701 0.533299 0.832738 Mg\n0.466701 0.933403 0.832738 Mg\n0.465498 0.132819 0.833482 Mg\n0.667320 0.132819 0.833482 Mg\n0.465498 0.332680 0.833482 Mg\n0.867181 0.332680 0.833482 Mg\n0.667320 0.534501 0.833482 Mg\n0.867181 0.534501 0.833482 Mg\n0.666666 0.333333 0.833673 Mg\n0.263573 0.131787 0.835282 Mg\n0.868213 0.131787 0.835282 Mg\n0.868213 0.736427 0.835282 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Dy",
"Mg"
],
"chemical_system": "Dy-Mg",
"density": 1.8238949345959206,
"density_atomic": 0.04354087611494106,
"volume": 3445.0386254062414,
"volume_molar": 13.831005017222198,
"formula_full": "Dy1 Mg149",
"formula_reduced": "DyMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0001988421166633,
"spacegroup": 187
},
{
"id": "oqmd-31767",
"created_at": "2022-09-04T14:49:01.444348Z",
"updated_at": "2022-09-04T14:49:01.444374Z",
"structure_string": "Mg149 Pt1\n1.0\n13.762261 -7.945649 0.000000\n0.000000 15.891297 0.000000\n0.000000 0.000000 15.565053\nMg Pt\n149 1\ndirect\n0.601778 0.000158 0.000000 Mg\n0.398381 0.000158 0.000000 Mg\n0.191812 0.001982 0.000000 Mg\n0.810171 0.001982 0.000000 Mg\n0.191812 0.189829 0.000000 Mg\n0.998018 0.189830 0.000000 Mg\n0.801094 0.198905 0.000000 Mg\n0.397811 0.198906 0.000000 Mg\n0.599863 0.199726 0.000000 Mg\n0.198259 0.396517 0.000000 Mg\n0.999842 0.398222 0.000000 Mg\n0.398381 0.398223 0.000000 Mg\n0.800274 0.400137 0.000000 Mg\n0.599863 0.400137 0.000000 Mg\n0.400194 0.599806 0.000000 Mg\n0.199612 0.599806 0.000000 Mg\n0.999842 0.601619 0.000000 Mg\n0.601778 0.601619 0.000000 Mg\n0.801094 0.602189 0.000000 Mg\n0.400194 0.800389 0.000000 Mg\n0.603483 0.801742 0.000000 Mg\n0.198259 0.801742 0.000000 Mg\n0.998018 0.808188 0.000000 Mg\n0.810171 0.808188 0.000000 Mg\n0.063545 0.127089 0.158601 Mg\n0.872910 0.936455 0.158601 Mg\n0.063545 0.936456 0.158601 Mg\n0.264820 0.330609 0.165383 Mg\n0.065789 0.330609 0.165383 Mg\n0.669391 0.735180 0.165383 Mg\n0.065789 0.735180 0.165383 Mg\n0.669391 0.934211 0.165383 Mg\n0.264820 0.934211 0.165383 Mg\n0.066638 0.533319 0.166064 Mg\n0.466681 0.533319 0.166064 Mg\n0.466681 0.933362 0.166064 Mg\n0.266215 0.532429 0.166098 Mg\n0.266215 0.733785 0.166098 Mg\n0.467571 0.733785 0.166098 Mg\n0.467087 0.133553 0.166614 Mg\n0.666466 0.133553 0.166614 Mg\n0.866446 0.333534 0.166614 Mg\n0.467087 0.333534 0.166614 Mg\n0.866446 0.532912 0.166614 Mg\n0.666466 0.532913 0.166614 Mg\n0.666667 0.333333 0.166709 Mg\n0.865715 0.134286 0.167493 Mg\n0.268571 0.134286 0.167493 Mg\n0.865715 0.731429 0.167493 Mg\n0.000000 0.000000 0.331017 Mg\n0.000402 0.199153 0.331761 Mg\n0.198751 0.199154 0.331761 Mg\n0.000402 0.801248 0.331761 Mg\n0.800847 0.801248 0.331761 Mg\n0.800847 0.999598 0.331761 Mg\n0.198751 0.999598 0.331761 Mg\n0.000179 0.399621 0.332730 Mg\n0.399442 0.399621 0.332730 Mg\n0.000179 0.600559 0.332730 Mg\n0.600379 0.600559 0.332730 Mg\n0.600379 0.999820 0.332730 Mg\n0.399442 0.999820 0.332730 Mg\n0.199831 0.399660 0.332792 Mg\n0.199831 0.800170 0.332792 Mg\n0.600340 0.800170 0.332792 Mg\n0.200039 0.600020 0.333110 Mg\n0.399981 0.600020 0.333110 Mg\n0.399981 0.799961 0.333110 Mg\n0.599946 0.199892 0.333381 Mg\n0.599946 0.400054 0.333381 Mg\n0.800108 0.400054 0.333381 Mg\n0.399897 0.199949 0.333579 Mg\n0.800051 0.199949 0.333579 Mg\n0.800051 0.600102 0.333579 Mg\n0.066440 0.132881 0.500000 Mg\n0.866927 0.133072 0.500000 Mg\n0.266145 0.133073 0.500000 Mg\n0.466580 0.133165 0.500000 Mg\n0.666585 0.133165 0.500000 Mg\n0.266434 0.332801 0.500000 Mg\n0.066367 0.332801 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466580 0.333415 0.500000 Mg\n0.866835 0.333416 0.500000 Mg\n0.266519 0.533038 0.500000 Mg\n0.466737 0.533263 0.500000 Mg\n0.066526 0.533263 0.500000 Mg\n0.666585 0.533419 0.500000 Mg\n0.866835 0.533419 0.500000 Mg\n0.266519 0.733481 0.500000 Mg\n0.466962 0.733481 0.500000 Mg\n0.066367 0.733566 0.500000 Mg\n0.667199 0.733566 0.500000 Mg\n0.866927 0.733855 0.500000 Mg\n0.466737 0.933474 0.500000 Mg\n0.066440 0.933560 0.500000 Mg\n0.867119 0.933560 0.500000 Mg\n0.266434 0.933633 0.500000 Mg\n0.667199 0.933633 0.500000 Mg\n0.399897 0.199949 0.666421 Mg\n0.800051 0.199949 0.666421 Mg\n0.800051 0.600102 0.666421 Mg\n0.599946 0.199892 0.666618 Mg\n0.599946 0.400054 0.666618 Mg\n0.800108 0.400054 0.666618 Mg\n0.200039 0.600020 0.666889 Mg\n0.399981 0.600020 0.666889 Mg\n0.399981 0.799961 0.666889 Mg\n0.199831 0.399660 0.667207 Mg\n0.199831 0.800170 0.667207 Mg\n0.600340 0.800170 0.667207 Mg\n0.000179 0.399621 0.667270 Mg\n0.399442 0.399621 0.667270 Mg\n0.000179 0.600559 0.667270 Mg\n0.600379 0.600559 0.667270 Mg\n0.600379 0.999820 0.667270 Mg\n0.399442 0.999820 0.667270 Mg\n0.000402 0.199153 0.668239 Mg\n0.198751 0.199154 0.668239 Mg\n0.000402 0.801248 0.668239 Mg\n0.800847 0.801248 0.668239 Mg\n0.800847 0.999598 0.668239 Mg\n0.198751 0.999598 0.668239 Mg\n0.000000 0.000000 0.668983 Mg\n0.865715 0.134286 0.832507 Mg\n0.268571 0.134286 0.832507 Mg\n0.865715 0.731429 0.832507 Mg\n0.666667 0.333333 0.833292 Mg\n0.467087 0.133553 0.833386 Mg\n0.666466 0.133553 0.833386 Mg\n0.866446 0.333534 0.833386 Mg\n0.467087 0.333534 0.833386 Mg\n0.866446 0.532912 0.833386 Mg\n0.666466 0.532913 0.833386 Mg\n0.266215 0.532429 0.833901 Mg\n0.266215 0.733785 0.833901 Mg\n0.467571 0.733785 0.833901 Mg\n0.066638 0.533319 0.833935 Mg\n0.466681 0.533319 0.833935 Mg\n0.466681 0.933362 0.833935 Mg\n0.264820 0.330609 0.834616 Mg\n0.065789 0.330609 0.834616 Mg\n0.669391 0.735180 0.834616 Mg\n0.065789 0.735180 0.834616 Mg\n0.669391 0.934211 0.834616 Mg\n0.264820 0.934211 0.834616 Mg\n0.063545 0.127089 0.841399 Mg\n0.872910 0.936455 0.841399 Mg\n0.063545 0.936456 0.841399 Mg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Pt"
],
"chemical_system": "Mg-Pt",
"density": 1.8617352681111656,
"density_atomic": 0.04406477133920486,
"volume": 3404.0798452196555,
"volume_molar": 13.666565324127852,
"formula_full": "Mg149 Pt1",
"formula_reduced": "Mg149Pt",
"formula_anonymous": "AB149",
"formation_energy": -0.0113560934388922,
"spacegroup": 187
},
{
"id": "oqmd-31748",
"created_at": "2022-09-04T14:49:01.947210Z",
"updated_at": "2022-09-04T14:49:01.947238Z",
"structure_string": "Li1 Mg149\n1.0\n13.775711 -7.953414 0.000000\n0.000000 15.906828 0.000000\n0.000000 0.000000 15.610177\nLi Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Li\n0.198685 0.198715 0.000000 Mg\n0.000000 0.198715 0.000000 Mg\n0.800210 0.199790 0.000000 Mg\n0.399581 0.199790 0.000000 Mg\n0.599920 0.199840 0.000000 Mg\n0.399526 0.399615 0.000000 Mg\n0.000000 0.399616 0.000000 Mg\n0.199852 0.399703 0.000000 Mg\n0.800160 0.400080 0.000000 Mg\n0.599920 0.400080 0.000000 Mg\n0.200000 0.600000 0.000000 Mg\n0.400000 0.600000 0.000000 Mg\n0.800210 0.600420 0.000000 Mg\n0.600385 0.600474 0.000000 Mg\n0.000000 0.600475 0.000000 Mg\n0.400000 0.800000 0.000000 Mg\n0.600296 0.800148 0.000000 Mg\n0.199852 0.800148 0.000000 Mg\n0.801285 0.801314 0.000000 Mg\n0.000000 0.801315 0.000000 Mg\n0.600385 0.000000 0.000000 Mg\n0.399526 0.000000 0.000000 Mg\n0.801285 0.000000 0.000000 Mg\n0.198685 0.000000 0.000000 Mg\n0.066216 0.132431 0.165386 Mg\n0.867569 0.933784 0.165386 Mg\n0.066216 0.933785 0.165386 Mg\n0.666667 0.333333 0.166558 Mg\n0.466602 0.133296 0.166574 Mg\n0.666694 0.133296 0.166574 Mg\n0.466602 0.333306 0.166574 Mg\n0.866704 0.333306 0.166574 Mg\n0.666694 0.533398 0.166574 Mg\n0.866704 0.533399 0.166574 Mg\n0.866718 0.133281 0.166586 Mg\n0.266563 0.133281 0.166586 Mg\n0.866718 0.733437 0.166586 Mg\n0.266429 0.333092 0.166587 Mg\n0.066662 0.333092 0.166587 Mg\n0.066662 0.733571 0.166587 Mg\n0.666909 0.733571 0.166587 Mg\n0.666909 0.933338 0.166587 Mg\n0.266429 0.933338 0.166587 Mg\n0.066684 0.533342 0.166634 Mg\n0.466658 0.533342 0.166634 Mg\n0.466658 0.933316 0.166634 Mg\n0.266641 0.533282 0.166761 Mg\n0.266641 0.733358 0.166761 Mg\n0.466718 0.733359 0.166761 Mg\n0.000000 0.000000 0.332693 Mg\n0.199768 0.199899 0.332917 Mg\n0.000131 0.199899 0.332917 Mg\n0.800101 0.800233 0.332917 Mg\n0.000131 0.800233 0.332917 Mg\n0.800101 0.999868 0.332917 Mg\n0.199768 0.999869 0.332917 Mg\n0.399968 0.000000 0.333273 Mg\n0.600130 0.000000 0.333273 Mg\n0.399968 0.399870 0.333273 Mg\n0.000000 0.399870 0.333273 Mg\n0.000000 0.600032 0.333273 Mg\n0.600130 0.600033 0.333273 Mg\n0.600015 0.200031 0.333283 Mg\n0.600015 0.399984 0.333283 Mg\n0.799969 0.399984 0.333283 Mg\n0.399995 0.199998 0.333309 Mg\n0.800002 0.199998 0.333309 Mg\n0.800002 0.600005 0.333309 Mg\n0.200083 0.400165 0.333441 Mg\n0.200083 0.799917 0.333441 Mg\n0.599835 0.799917 0.333441 Mg\n0.199969 0.599984 0.333570 Mg\n0.400016 0.599984 0.333570 Mg\n0.400016 0.800031 0.333570 Mg\n0.066634 0.133267 0.500000 Mg\n0.266635 0.133317 0.500000 Mg\n0.866683 0.133317 0.500000 Mg\n0.666676 0.133529 0.500000 Mg\n0.466853 0.133529 0.500000 Mg\n0.066580 0.333209 0.500000 Mg\n0.266629 0.333209 0.500000 Mg\n0.866471 0.333324 0.500000 Mg\n0.466853 0.333324 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866471 0.533147 0.500000 Mg\n0.666676 0.533147 0.500000 Mg\n0.066532 0.533266 0.500000 Mg\n0.466734 0.533266 0.500000 Mg\n0.266676 0.533352 0.500000 Mg\n0.266676 0.733324 0.500000 Mg\n0.466648 0.733324 0.500000 Mg\n0.866683 0.733365 0.500000 Mg\n0.666790 0.733371 0.500000 Mg\n0.066580 0.733371 0.500000 Mg\n0.866733 0.933366 0.500000 Mg\n0.066634 0.933366 0.500000 Mg\n0.666790 0.933420 0.500000 Mg\n0.266629 0.933420 0.500000 Mg\n0.466734 0.933468 0.500000 Mg\n0.199969 0.599984 0.666430 Mg\n0.400016 0.599984 0.666430 Mg\n0.400016 0.800031 0.666430 Mg\n0.200083 0.400165 0.666559 Mg\n0.200083 0.799917 0.666559 Mg\n0.599835 0.799917 0.666559 Mg\n0.399995 0.199998 0.666691 Mg\n0.800002 0.199998 0.666691 Mg\n0.800002 0.600005 0.666691 Mg\n0.600015 0.200031 0.666718 Mg\n0.600015 0.399984 0.666718 Mg\n0.799969 0.399984 0.666718 Mg\n0.399968 0.000000 0.666727 Mg\n0.600130 0.000000 0.666727 Mg\n0.399968 0.399870 0.666727 Mg\n0.000000 0.399870 0.666727 Mg\n0.000000 0.600032 0.666727 Mg\n0.600130 0.600033 0.666727 Mg\n0.199768 0.199899 0.667083 Mg\n0.000131 0.199899 0.667083 Mg\n0.800101 0.800233 0.667083 Mg\n0.000131 0.800233 0.667083 Mg\n0.800101 0.999868 0.667083 Mg\n0.199768 0.999869 0.667083 Mg\n0.000000 0.000000 0.667308 Mg\n0.266641 0.533282 0.833239 Mg\n0.266641 0.733358 0.833239 Mg\n0.466718 0.733359 0.833239 Mg\n0.066684 0.533342 0.833367 Mg\n0.466658 0.533342 0.833367 Mg\n0.466658 0.933316 0.833367 Mg\n0.266429 0.333092 0.833413 Mg\n0.066662 0.333092 0.833413 Mg\n0.066662 0.733571 0.833413 Mg\n0.666909 0.733571 0.833413 Mg\n0.666909 0.933338 0.833413 Mg\n0.266429 0.933338 0.833413 Mg\n0.866718 0.133281 0.833415 Mg\n0.266563 0.133281 0.833415 Mg\n0.866718 0.733437 0.833415 Mg\n0.466602 0.133296 0.833426 Mg\n0.666694 0.133296 0.833426 Mg\n0.466602 0.333306 0.833426 Mg\n0.866704 0.333306 0.833426 Mg\n0.666694 0.533398 0.833426 Mg\n0.866704 0.533399 0.833426 Mg\n0.666667 0.333333 0.833442 Mg\n0.066216 0.132431 0.834614 Mg\n0.867569 0.933784 0.834614 Mg\n0.066216 0.933785 0.834614 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.761396562020992,
"density_atomic": 0.04385163830833944,
"volume": 3420.6247653801775,
"volume_molar": 13.73298921617427,
"formula_full": "Li1 Mg149",
"formula_reduced": "LiMg149",
"formula_anonymous": "AB149",
"formation_energy": -0.0010081605055588,
"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
},
{
"id": "oqmd-31779",
"created_at": "2022-09-04T14:49:02.823742Z",
"updated_at": "2022-09-04T14:49:02.823760Z",
"structure_string": "Mg149 Sn1\n1.0\n13.787291 -7.960100 0.000000\n0.000000 15.920200 0.000000\n0.000000 0.000000 15.636923\nMg Sn\n149 1\ndirect\n0.201113 0.000930 0.000000 Mg\n0.799818 0.000930 0.000000 Mg\n0.399977 0.199989 0.000000 Mg\n0.800011 0.199989 0.000000 Mg\n0.600087 0.200174 0.000000 Mg\n0.999069 0.200182 0.000000 Mg\n0.201113 0.200183 0.000000 Mg\n0.199455 0.398911 0.000000 Mg\n0.799826 0.399913 0.000000 Mg\n0.600087 0.399913 0.000000 Mg\n0.400314 0.400446 0.000000 Mg\n0.000133 0.400446 0.000000 Mg\n0.599554 0.599687 0.000000 Mg\n0.000133 0.599687 0.000000 Mg\n0.199976 0.599988 0.000000 Mg\n0.400012 0.599988 0.000000 Mg\n0.800011 0.600023 0.000000 Mg\n0.999069 0.798887 0.000000 Mg\n0.799818 0.798888 0.000000 Mg\n0.400012 0.800024 0.000000 Mg\n0.601088 0.800544 0.000000 Mg\n0.199455 0.800544 0.000000 Mg\n0.599554 0.999868 0.000000 Mg\n0.400314 0.999868 0.000000 Mg\n0.066310 0.332626 0.166386 Mg\n0.266316 0.332626 0.166386 Mg\n0.066310 0.733684 0.166386 Mg\n0.667374 0.733684 0.166386 Mg\n0.667374 0.933690 0.166386 Mg\n0.266316 0.933690 0.166386 Mg\n0.466758 0.133316 0.166492 Mg\n0.666557 0.133316 0.166492 Mg\n0.466758 0.333443 0.166492 Mg\n0.866684 0.333443 0.166492 Mg\n0.666557 0.533242 0.166492 Mg\n0.866684 0.533242 0.166492 Mg\n0.666667 0.333333 0.166508 Mg\n0.266493 0.532985 0.166516 Mg\n0.467015 0.733507 0.166516 Mg\n0.266493 0.733508 0.166516 Mg\n0.466612 0.533388 0.166622 Mg\n0.066776 0.533388 0.166622 Mg\n0.466612 0.933224 0.166622 Mg\n0.866393 0.133607 0.167277 Mg\n0.267214 0.133607 0.167277 Mg\n0.866393 0.732786 0.167277 Mg\n0.066796 0.133592 0.167559 Mg\n0.866408 0.933204 0.167559 Mg\n0.066796 0.933204 0.167559 Mg\n0.199845 0.399689 0.333011 Mg\n0.600311 0.800155 0.333011 Mg\n0.199845 0.800155 0.333011 Mg\n0.399878 0.000000 0.333180 Mg\n0.600133 0.000000 0.333180 Mg\n0.000000 0.399867 0.333180 Mg\n0.399878 0.399867 0.333180 Mg\n0.000000 0.600122 0.333180 Mg\n0.600133 0.600122 0.333180 Mg\n0.600000 0.199999 0.333204 Mg\n0.600000 0.400000 0.333204 Mg\n0.800001 0.400001 0.333204 Mg\n0.000000 0.000000 0.333234 Mg\n0.400033 0.200016 0.333264 Mg\n0.799983 0.200017 0.333264 Mg\n0.799983 0.599966 0.333264 Mg\n0.199999 0.600000 0.333298 Mg\n0.400000 0.600000 0.333298 Mg\n0.400000 0.800000 0.333298 Mg\n0.199895 0.000000 0.333635 Mg\n0.800137 0.000000 0.333635 Mg\n0.199895 0.199863 0.333635 Mg\n0.000000 0.199863 0.333635 Mg\n0.000000 0.800105 0.333635 Mg\n0.800137 0.800105 0.333635 Mg\n0.066600 0.133200 0.500000 Mg\n0.666577 0.133297 0.500000 Mg\n0.466720 0.133297 0.500000 Mg\n0.866667 0.133333 0.500000 Mg\n0.266666 0.133333 0.500000 Mg\n0.266582 0.333232 0.500000 Mg\n0.066650 0.333233 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466720 0.333423 0.500000 Mg\n0.866703 0.333423 0.500000 Mg\n0.666577 0.533280 0.500000 Mg\n0.866703 0.533280 0.500000 Mg\n0.266667 0.533335 0.500000 Mg\n0.466633 0.533367 0.500000 Mg\n0.066734 0.533367 0.500000 Mg\n0.266667 0.733332 0.500000 Mg\n0.466665 0.733333 0.500000 Mg\n0.866667 0.733334 0.500000 Mg\n0.666768 0.733417 0.500000 Mg\n0.066650 0.733417 0.500000 Mg\n0.466633 0.933266 0.500000 Mg\n0.266582 0.933350 0.500000 Mg\n0.666768 0.933351 0.500000 Mg\n0.066600 0.933400 0.500000 Mg\n0.866800 0.933400 0.500000 Mg\n0.199895 0.000000 0.666366 Mg\n0.800137 0.000000 0.666366 Mg\n0.199895 0.199863 0.666366 Mg\n0.000000 0.199863 0.666366 Mg\n0.000000 0.800105 0.666366 Mg\n0.800137 0.800105 0.666366 Mg\n0.199999 0.600000 0.666703 Mg\n0.400000 0.600000 0.666703 Mg\n0.400000 0.800000 0.666703 Mg\n0.400033 0.200016 0.666737 Mg\n0.799983 0.200017 0.666737 Mg\n0.799983 0.599966 0.666737 Mg\n0.000000 0.000000 0.666766 Mg\n0.600000 0.199999 0.666796 Mg\n0.600000 0.400000 0.666796 Mg\n0.800001 0.400001 0.666796 Mg\n0.399878 0.000000 0.666820 Mg\n0.600133 0.000000 0.666820 Mg\n0.000000 0.399867 0.666820 Mg\n0.399878 0.399867 0.666820 Mg\n0.000000 0.600122 0.666820 Mg\n0.600133 0.600122 0.666820 Mg\n0.199845 0.399689 0.666989 Mg\n0.600311 0.800155 0.666989 Mg\n0.199845 0.800155 0.666989 Mg\n0.066796 0.133592 0.832441 Mg\n0.866408 0.933204 0.832441 Mg\n0.066796 0.933204 0.832441 Mg\n0.866393 0.133607 0.832723 Mg\n0.267214 0.133607 0.832723 Mg\n0.866393 0.732786 0.832723 Mg\n0.466612 0.533388 0.833378 Mg\n0.066776 0.533388 0.833378 Mg\n0.466612 0.933224 0.833378 Mg\n0.266493 0.532985 0.833484 Mg\n0.467015 0.733507 0.833484 Mg\n0.266493 0.733508 0.833484 Mg\n0.666667 0.333333 0.833492 Mg\n0.466758 0.133316 0.833508 Mg\n0.666557 0.133316 0.833508 Mg\n0.466758 0.333443 0.833508 Mg\n0.866684 0.333443 0.833508 Mg\n0.666557 0.533242 0.833508 Mg\n0.866684 0.533242 0.833508 Mg\n0.066310 0.332626 0.833613 Mg\n0.266316 0.332626 0.833613 Mg\n0.066310 0.733684 0.833613 Mg\n0.667374 0.733684 0.833613 Mg\n0.667374 0.933690 0.833613 Mg\n0.266316 0.933690 0.833613 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 1.8095056318192815,
"density_atomic": 0.043703125771235085,
"volume": 3432.2487774713895,
"volume_molar": 13.779656840847082,
"formula_full": "Mg149 Sn1",
"formula_reduced": "Mg149Sn",
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"density": 1.7741910950671302,
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{
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"structure_string": "Mg149 V1\n1.0\n13.789439 -7.961341 0.000000\n0.000000 15.922681 0.000000\n0.000000 0.000000 15.587030\nMg V\n149 1\ndirect\n0.601626 0.000211 0.000000 Mg\n0.398586 0.000212 0.000000 Mg\n0.805098 0.000281 0.000000 Mg\n0.195184 0.000282 0.000000 Mg\n0.195184 0.194902 0.000000 Mg\n0.999719 0.194903 0.000000 Mg\n0.599816 0.199632 0.000000 Mg\n0.800222 0.199778 0.000000 Mg\n0.399557 0.199778 0.000000 Mg\n0.398586 0.398375 0.000000 Mg\n0.999789 0.398375 0.000000 Mg\n0.199506 0.399012 0.000000 Mg\n0.599816 0.400183 0.000000 Mg\n0.800368 0.400184 0.000000 Mg\n0.400076 0.599924 0.000000 Mg\n0.199849 0.599924 0.000000 Mg\n0.800222 0.600444 0.000000 Mg\n0.601626 0.601414 0.000000 Mg\n0.999789 0.601415 0.000000 Mg\n0.400076 0.800152 0.000000 Mg\n0.600987 0.800494 0.000000 Mg\n0.199506 0.800494 0.000000 Mg\n0.805098 0.804816 0.000000 Mg\n0.999719 0.804816 0.000000 Mg\n0.064973 0.129946 0.162330 Mg\n0.064973 0.935027 0.162330 Mg\n0.870054 0.935027 0.162330 Mg\n0.266019 0.332633 0.166297 Mg\n0.066614 0.332633 0.166297 Mg\n0.667367 0.733981 0.166297 Mg\n0.066614 0.733982 0.166297 Mg\n0.266019 0.933386 0.166297 Mg\n0.667367 0.933386 0.166297 Mg\n0.066612 0.533306 0.166361 Mg\n0.466694 0.533306 0.166361 Mg\n0.466694 0.933388 0.166361 Mg\n0.267138 0.133569 0.166514 Mg\n0.866431 0.133569 0.166514 Mg\n0.866431 0.732862 0.166514 Mg\n0.266611 0.533221 0.166617 Mg\n0.466779 0.733389 0.166617 Mg\n0.266611 0.733390 0.166617 Mg\n0.666667 0.333333 0.166657 Mg\n0.466634 0.133392 0.166719 Mg\n0.666759 0.133392 0.166719 Mg\n0.466634 0.333242 0.166719 Mg\n0.866608 0.333242 0.166719 Mg\n0.866608 0.533366 0.166719 Mg\n0.666759 0.533366 0.166719 Mg\n0.199240 0.199465 0.332016 Mg\n0.000226 0.199466 0.332016 Mg\n0.000226 0.800760 0.332016 Mg\n0.800535 0.800760 0.332016 Mg\n0.800535 0.999775 0.332016 Mg\n0.199240 0.999775 0.332016 Mg\n0.000000 0.000000 0.332877 Mg\n0.000000 0.399802 0.333067 Mg\n0.399749 0.399802 0.333067 Mg\n0.000000 0.600252 0.333067 Mg\n0.600198 0.600252 0.333067 Mg\n0.600198 0.000000 0.333067 Mg\n0.399749 0.000000 0.333067 Mg\n0.200039 0.400078 0.333344 Mg\n0.599921 0.799961 0.333344 Mg\n0.200039 0.799961 0.333344 Mg\n0.599960 0.199920 0.333369 Mg\n0.800080 0.400040 0.333369 Mg\n0.599960 0.400040 0.333369 Mg\n0.200032 0.600016 0.333473 Mg\n0.399984 0.600016 0.333473 Mg\n0.399984 0.799968 0.333473 Mg\n0.800046 0.199953 0.333474 Mg\n0.399907 0.199954 0.333474 Mg\n0.800046 0.600093 0.333474 Mg\n0.266206 0.133103 0.500000 Mg\n0.866897 0.133103 0.500000 Mg\n0.066554 0.133108 0.500000 Mg\n0.466764 0.133559 0.500000 Mg\n0.666796 0.133560 0.500000 Mg\n0.066423 0.332900 0.500000 Mg\n0.266478 0.332901 0.500000 Mg\n0.466764 0.333204 0.500000 Mg\n0.866441 0.333205 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266561 0.533121 0.500000 Mg\n0.466810 0.533190 0.500000 Mg\n0.066381 0.533190 0.500000 Mg\n0.666796 0.533236 0.500000 Mg\n0.866441 0.533236 0.500000 Mg\n0.466878 0.733439 0.500000 Mg\n0.266561 0.733439 0.500000 Mg\n0.667100 0.733522 0.500000 Mg\n0.066423 0.733522 0.500000 Mg\n0.866897 0.733795 0.500000 Mg\n0.066554 0.933446 0.500000 Mg\n0.866892 0.933446 0.500000 Mg\n0.266478 0.933577 0.500000 Mg\n0.667100 0.933578 0.500000 Mg\n0.466810 0.933620 0.500000 Mg\n0.800046 0.199953 0.666526 Mg\n0.399907 0.199954 0.666526 Mg\n0.800046 0.600093 0.666526 Mg\n0.200032 0.600016 0.666527 Mg\n0.399984 0.600016 0.666527 Mg\n0.399984 0.799968 0.666527 Mg\n0.599960 0.199920 0.666631 Mg\n0.800080 0.400040 0.666631 Mg\n0.599960 0.400040 0.666631 Mg\n0.200039 0.400078 0.666656 Mg\n0.599921 0.799961 0.666656 Mg\n0.200039 0.799961 0.666656 Mg\n0.000000 0.399802 0.666933 Mg\n0.399749 0.399802 0.666933 Mg\n0.000000 0.600252 0.666933 Mg\n0.600198 0.600252 0.666933 Mg\n0.600198 0.000000 0.666933 Mg\n0.399749 0.000000 0.666933 Mg\n0.000000 0.000000 0.667123 Mg\n0.199240 0.199465 0.667984 Mg\n0.000226 0.199466 0.667984 Mg\n0.000226 0.800760 0.667984 Mg\n0.800535 0.800760 0.667984 Mg\n0.800535 0.999775 0.667984 Mg\n0.199240 0.999775 0.667984 Mg\n0.466634 0.133392 0.833281 Mg\n0.666759 0.133392 0.833281 Mg\n0.466634 0.333242 0.833281 Mg\n0.866608 0.333242 0.833281 Mg\n0.866608 0.533366 0.833281 Mg\n0.666759 0.533366 0.833281 Mg\n0.666667 0.333333 0.833343 Mg\n0.266611 0.533221 0.833383 Mg\n0.466779 0.733389 0.833383 Mg\n0.266611 0.733390 0.833383 Mg\n0.267138 0.133569 0.833486 Mg\n0.866431 0.133569 0.833486 Mg\n0.866431 0.732862 0.833486 Mg\n0.066612 0.533306 0.833639 Mg\n0.466694 0.533306 0.833639 Mg\n0.466694 0.933388 0.833639 Mg\n0.266019 0.332633 0.833703 Mg\n0.066614 0.332633 0.833703 Mg\n0.667367 0.733981 0.833703 Mg\n0.066614 0.733982 0.833703 Mg\n0.266019 0.933386 0.833703 Mg\n0.667367 0.933386 0.833703 Mg\n0.064973 0.129946 0.837670 Mg\n0.064973 0.935027 0.837670 Mg\n0.870054 0.935027 0.837670 Mg\n0.000000 0.000000 0.000000 V\n",
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"elements": [
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"density": 1.781850716425658,
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{
"id": "oqmd-31792",
"created_at": "2022-09-04T14:49:02.124352Z",
"updated_at": "2022-09-04T14:49:02.124390Z",
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"nelements": 2,
"elements": [
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"Y"
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"chemical_system": "Mg-Y",
"density": 1.7892840412023687,
"density_atomic": 0.043561865690407785,
"volume": 3443.3786896558386,
"volume_molar": 13.824340772727878,
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{
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"updated_at": "2022-09-04T14:49:01.053025Z",
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"nsites": 150,
"nelements": 2,
"elements": [
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"Sm"
],
"chemical_system": "Mg-Sm",
"density": 1.8163930899738647,
"density_atomic": 0.043501353597657215,
"volume": 3448.168564761128,
"volume_molar": 13.843570974132458,
"formula_full": "Sm1 Mg149",
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},
{
"id": "oqmd-31722",
"created_at": "2022-09-04T15:15:52.875486Z",
"updated_at": "2022-09-04T15:15:52.875501Z",
"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",
"nsites": 150,
"nelements": 2,
"elements": [
"C",
"Mg"
],
"chemical_system": "C-Mg",
"density": 1.7735648819330476,
"density_atomic": 0.044092972028052804,
"volume": 3401.9026865453093,
"volume_molar": 13.65782455346534,
"formula_full": "Mg149 C1",
"formula_reduced": "Mg149C",
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"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-31726",
"created_at": "2022-09-04T14:49:01.039022Z",
"updated_at": "2022-09-04T14:49:01.039043Z",
"structure_string": "Mg149 Cl1\n1.0\n13.792360 -7.963026 0.000000\n0.000000 15.926053 0.000000\n0.000000 0.000000 15.622175\nCl Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cl\n0.202648 0.000749 0.000000 Mg\n0.798101 0.000749 0.000000 Mg\n0.799813 0.200187 0.000000 Mg\n0.400375 0.200187 0.000000 Mg\n0.600232 0.200464 0.000000 Mg\n0.999250 0.201898 0.000000 Mg\n0.202648 0.201899 0.000000 Mg\n0.199769 0.399539 0.000000 Mg\n0.600232 0.399768 0.000000 Mg\n0.799536 0.399768 0.000000 Mg\n0.400819 0.401328 0.000000 Mg\n0.000509 0.401328 0.000000 Mg\n0.598672 0.599181 0.000000 Mg\n0.000509 0.599181 0.000000 Mg\n0.799813 0.599626 0.000000 Mg\n0.200549 0.600275 0.000000 Mg\n0.399726 0.600275 0.000000 Mg\n0.999250 0.797352 0.000000 Mg\n0.798101 0.797352 0.000000 Mg\n0.399726 0.799451 0.000000 Mg\n0.199769 0.800231 0.000000 Mg\n0.600461 0.800231 0.000000 Mg\n0.598672 0.999491 0.000000 Mg\n0.400819 0.999491 0.000000 Mg\n0.666667 0.333333 0.166162 Mg\n0.666836 0.133088 0.166273 Mg\n0.466252 0.133088 0.166273 Mg\n0.466252 0.333164 0.166273 Mg\n0.866912 0.333164 0.166273 Mg\n0.866912 0.533748 0.166273 Mg\n0.666836 0.533748 0.166273 Mg\n0.266567 0.533134 0.166472 Mg\n0.266567 0.733433 0.166472 Mg\n0.466866 0.733433 0.166472 Mg\n0.066523 0.333137 0.166569 Mg\n0.266615 0.333138 0.166569 Mg\n0.666862 0.733385 0.166569 Mg\n0.066523 0.733385 0.166569 Mg\n0.666862 0.933477 0.166569 Mg\n0.266615 0.933477 0.166569 Mg\n0.265501 0.132750 0.166742 Mg\n0.867250 0.132751 0.166742 Mg\n0.867250 0.734499 0.166742 Mg\n0.466587 0.533413 0.166988 Mg\n0.066827 0.533414 0.166988 Mg\n0.466587 0.933173 0.166988 Mg\n0.067198 0.134396 0.168487 Mg\n0.865604 0.932802 0.168487 Mg\n0.067198 0.932802 0.168487 Mg\n0.000000 0.000000 0.331605 Mg\n0.399802 0.199901 0.332863 Mg\n0.800099 0.199901 0.332863 Mg\n0.800099 0.600198 0.332863 Mg\n0.600025 0.200050 0.332966 Mg\n0.600025 0.399974 0.332966 Mg\n0.799949 0.399975 0.332966 Mg\n0.199904 0.399808 0.333036 Mg\n0.199904 0.800096 0.333036 Mg\n0.600192 0.800096 0.333036 Mg\n0.399978 0.600022 0.333324 Mg\n0.200045 0.600023 0.333324 Mg\n0.399978 0.799956 0.333324 Mg\n0.400119 0.000000 0.333347 Mg\n0.599933 0.000000 0.333347 Mg\n0.000000 0.400067 0.333347 Mg\n0.400119 0.400067 0.333347 Mg\n0.599933 0.599881 0.333347 Mg\n0.000000 0.599882 0.333347 Mg\n0.000000 0.200349 0.334130 Mg\n0.200286 0.200349 0.334130 Mg\n0.799651 0.799714 0.334130 Mg\n0.000000 0.799715 0.334130 Mg\n0.200286 0.000000 0.334130 Mg\n0.799651 0.000000 0.334130 Mg\n0.066543 0.133085 0.500000 Mg\n0.866546 0.133453 0.500000 Mg\n0.266906 0.133453 0.500000 Mg\n0.666741 0.133627 0.500000 Mg\n0.466886 0.133627 0.500000 Mg\n0.866373 0.333259 0.500000 Mg\n0.466886 0.333259 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066785 0.333446 0.500000 Mg\n0.266661 0.333446 0.500000 Mg\n0.866373 0.533114 0.500000 Mg\n0.666741 0.533114 0.500000 Mg\n0.466620 0.533380 0.500000 Mg\n0.066760 0.533380 0.500000 Mg\n0.266767 0.533533 0.500000 Mg\n0.866546 0.733093 0.500000 Mg\n0.266767 0.733233 0.500000 Mg\n0.466466 0.733233 0.500000 Mg\n0.666554 0.733338 0.500000 Mg\n0.066785 0.733339 0.500000 Mg\n0.266661 0.933215 0.500000 Mg\n0.666554 0.933215 0.500000 Mg\n0.466620 0.933240 0.500000 Mg\n0.066543 0.933457 0.500000 Mg\n0.866915 0.933458 0.500000 Mg\n0.000000 0.200349 0.665870 Mg\n0.200286 0.200349 0.665870 Mg\n0.799651 0.799714 0.665870 Mg\n0.000000 0.799715 0.665870 Mg\n0.200286 0.000000 0.665870 Mg\n0.799651 0.000000 0.665870 Mg\n0.400119 0.000000 0.666653 Mg\n0.599933 0.000000 0.666653 Mg\n0.000000 0.400067 0.666653 Mg\n0.400119 0.400067 0.666653 Mg\n0.599933 0.599881 0.666653 Mg\n0.000000 0.599882 0.666653 Mg\n0.399978 0.600022 0.666676 Mg\n0.200045 0.600023 0.666676 Mg\n0.399978 0.799956 0.666676 Mg\n0.199904 0.399808 0.666963 Mg\n0.199904 0.800096 0.666963 Mg\n0.600192 0.800096 0.666963 Mg\n0.600025 0.200050 0.667035 Mg\n0.600025 0.399974 0.667035 Mg\n0.799949 0.399975 0.667035 Mg\n0.399802 0.199901 0.667137 Mg\n0.800099 0.199901 0.667137 Mg\n0.800099 0.600198 0.667137 Mg\n0.000000 0.000000 0.668395 Mg\n0.067198 0.134396 0.831513 Mg\n0.865604 0.932802 0.831513 Mg\n0.067198 0.932802 0.831513 Mg\n0.466587 0.533413 0.833012 Mg\n0.066827 0.533414 0.833012 Mg\n0.466587 0.933173 0.833012 Mg\n0.265501 0.132750 0.833257 Mg\n0.867250 0.132751 0.833257 Mg\n0.867250 0.734499 0.833257 Mg\n0.066523 0.333137 0.833431 Mg\n0.266615 0.333138 0.833431 Mg\n0.666862 0.733385 0.833431 Mg\n0.066523 0.733385 0.833431 Mg\n0.666862 0.933477 0.833431 Mg\n0.266615 0.933477 0.833431 Mg\n0.266567 0.533134 0.833528 Mg\n0.266567 0.733433 0.833528 Mg\n0.466866 0.733433 0.833528 Mg\n0.666836 0.133088 0.833727 Mg\n0.466252 0.133088 0.833727 Mg\n0.466252 0.333164 0.833727 Mg\n0.866912 0.333164 0.833727 Mg\n0.866912 0.533748 0.833727 Mg\n0.666836 0.533748 0.833727 Mg\n0.666667 0.333333 0.833838 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Cl",
"Mg"
],
"chemical_system": "Cl-Mg",
"density": 1.76959427641786,
"density_atomic": 0.04371223571601441,
"volume": 3431.533472103922,
"volume_molar": 13.776785061107569,
"formula_full": "Mg149 Cl1",
"formula_reduced": "Mg149Cl",
"formula_anonymous": "AB149",
"formation_energy": -0.0063220309430196,
"spacegroup": 187
}
]
}