HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=6",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=4",
"results": [
{
"id": "oqmd-31763",
"created_at": "2022-09-04T14:49:00.749418Z",
"updated_at": "2022-09-04T14:49:00.749451Z",
"structure_string": "Mg149 Pb1\n1.0\n13.789522 -7.961387 0.000000\n0.000000 15.922776 0.000000\n0.000000 0.000000 15.645299\nMg Pb\n149 1\ndirect\n0.202838 0.000592 0.000000 Mg\n0.797754 0.000592 0.000000 Mg\n0.799769 0.200231 0.000000 Mg\n0.400462 0.200231 0.000000 Mg\n0.600129 0.200258 0.000000 Mg\n0.999408 0.202246 0.000000 Mg\n0.202838 0.202246 0.000000 Mg\n0.199864 0.399728 0.000000 Mg\n0.600129 0.399870 0.000000 Mg\n0.799742 0.399871 0.000000 Mg\n0.400732 0.400860 0.000000 Mg\n0.000128 0.400860 0.000000 Mg\n0.599140 0.599268 0.000000 Mg\n0.000128 0.599268 0.000000 Mg\n0.799769 0.599538 0.000000 Mg\n0.399989 0.600011 0.000000 Mg\n0.200022 0.600011 0.000000 Mg\n0.999408 0.797162 0.000000 Mg\n0.797754 0.797163 0.000000 Mg\n0.399989 0.799978 0.000000 Mg\n0.199864 0.800135 0.000000 Mg\n0.600271 0.800136 0.000000 Mg\n0.400732 0.999872 0.000000 Mg\n0.599140 0.999872 0.000000 Mg\n0.466787 0.133342 0.166547 Mg\n0.666555 0.133343 0.166547 Mg\n0.466787 0.333445 0.166547 Mg\n0.866657 0.333445 0.166547 Mg\n0.866657 0.533213 0.166547 Mg\n0.666555 0.533213 0.166547 Mg\n0.666666 0.333333 0.166601 Mg\n0.066515 0.333246 0.166710 Mg\n0.266732 0.333246 0.166710 Mg\n0.066515 0.733269 0.166710 Mg\n0.666754 0.733269 0.166710 Mg\n0.666754 0.933485 0.166710 Mg\n0.266732 0.933486 0.166710 Mg\n0.266639 0.533279 0.166764 Mg\n0.266639 0.733360 0.166764 Mg\n0.466720 0.733360 0.166764 Mg\n0.466591 0.533409 0.166768 Mg\n0.066819 0.533410 0.166768 Mg\n0.466591 0.933181 0.166768 Mg\n0.866463 0.133537 0.167193 Mg\n0.267074 0.133537 0.167193 Mg\n0.866463 0.732926 0.167193 Mg\n0.067475 0.134950 0.169138 Mg\n0.865050 0.932525 0.169138 Mg\n0.067475 0.932525 0.169138 Mg\n0.199913 0.399826 0.333214 Mg\n0.600175 0.800087 0.333214 Mg\n0.199913 0.800087 0.333214 Mg\n0.400152 0.200076 0.333221 Mg\n0.799924 0.200076 0.333221 Mg\n0.799924 0.599848 0.333221 Mg\n0.600043 0.200087 0.333253 Mg\n0.600043 0.399956 0.333253 Mg\n0.799913 0.399957 0.333253 Mg\n0.600086 0.000118 0.333354 Mg\n0.400032 0.000118 0.333354 Mg\n0.999882 0.399914 0.333354 Mg\n0.400032 0.399914 0.333354 Mg\n0.999882 0.599968 0.333354 Mg\n0.600086 0.599968 0.333354 Mg\n0.399981 0.600019 0.333476 Mg\n0.200038 0.600019 0.333476 Mg\n0.399981 0.799962 0.333476 Mg\n0.000000 0.000000 0.333742 Mg\n0.200246 0.000161 0.333955 Mg\n0.799915 0.000161 0.333955 Mg\n0.999840 0.200085 0.333955 Mg\n0.200246 0.200086 0.333955 Mg\n0.799915 0.799754 0.333955 Mg\n0.999840 0.799754 0.333955 Mg\n0.066646 0.133291 0.500000 Mg\n0.466824 0.133373 0.500000 Mg\n0.666549 0.133373 0.500000 Mg\n0.266782 0.133391 0.500000 Mg\n0.866609 0.133391 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.066690 0.333392 0.500000 Mg\n0.266701 0.333392 0.500000 Mg\n0.466824 0.333451 0.500000 Mg\n0.866627 0.333451 0.500000 Mg\n0.866627 0.533175 0.500000 Mg\n0.666549 0.533175 0.500000 Mg\n0.466646 0.533353 0.500000 Mg\n0.066707 0.533354 0.500000 Mg\n0.266710 0.533420 0.500000 Mg\n0.866609 0.733218 0.500000 Mg\n0.466580 0.733290 0.500000 Mg\n0.266710 0.733290 0.500000 Mg\n0.066690 0.733299 0.500000 Mg\n0.666608 0.733299 0.500000 Mg\n0.466646 0.933293 0.500000 Mg\n0.266701 0.933309 0.500000 Mg\n0.666608 0.933309 0.500000 Mg\n0.866710 0.933355 0.500000 Mg\n0.066646 0.933355 0.500000 Mg\n0.200246 0.000161 0.666045 Mg\n0.799915 0.000161 0.666045 Mg\n0.999840 0.200085 0.666045 Mg\n0.200246 0.200086 0.666045 Mg\n0.799915 0.799754 0.666045 Mg\n0.999840 0.799754 0.666045 Mg\n0.000000 0.000000 0.666258 Mg\n0.399981 0.600019 0.666524 Mg\n0.200038 0.600019 0.666524 Mg\n0.399981 0.799962 0.666524 Mg\n0.600086 0.000118 0.666646 Mg\n0.400032 0.000118 0.666646 Mg\n0.999882 0.399914 0.666646 Mg\n0.400032 0.399914 0.666646 Mg\n0.999882 0.599968 0.666646 Mg\n0.600086 0.599968 0.666646 Mg\n0.600043 0.200087 0.666747 Mg\n0.600043 0.399956 0.666747 Mg\n0.799913 0.399957 0.666747 Mg\n0.400152 0.200076 0.666779 Mg\n0.799924 0.200076 0.666779 Mg\n0.799924 0.599848 0.666779 Mg\n0.199913 0.399826 0.666786 Mg\n0.600175 0.800087 0.666786 Mg\n0.199913 0.800087 0.666786 Mg\n0.067475 0.134950 0.830862 Mg\n0.865050 0.932525 0.830862 Mg\n0.067475 0.932525 0.830862 Mg\n0.866463 0.133537 0.832807 Mg\n0.267074 0.133537 0.832807 Mg\n0.866463 0.732926 0.832807 Mg\n0.466591 0.533409 0.833232 Mg\n0.066819 0.533410 0.833232 Mg\n0.466591 0.933181 0.833232 Mg\n0.266639 0.533279 0.833235 Mg\n0.266639 0.733360 0.833235 Mg\n0.466720 0.733360 0.833235 Mg\n0.066515 0.333246 0.833290 Mg\n0.266732 0.333246 0.833290 Mg\n0.066515 0.733269 0.833290 Mg\n0.666754 0.733269 0.833290 Mg\n0.666754 0.933485 0.833290 Mg\n0.266732 0.933486 0.833290 Mg\n0.666666 0.333333 0.833399 Mg\n0.466787 0.133342 0.833453 Mg\n0.666555 0.133343 0.833453 Mg\n0.466787 0.333445 0.833453 Mg\n0.866657 0.333445 0.833453 Mg\n0.866657 0.533213 0.833453 Mg\n0.666555 0.533213 0.833453 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 1.8507268767784386,
"density_atomic": 0.04366559617355431,
"volume": 3435.1987180893275,
"volume_molar": 13.791500145936993,
"formula_full": "Mg149 Pb1",
"formula_reduced": "Mg149Pb",
"formula_anonymous": "AB149",
"formation_energy": -0.0006104913722255,
"spacegroup": 187
},
{
"id": "oqmd-31727",
"created_at": "2022-09-04T15:17:19.610695Z",
"updated_at": "2022-09-04T15:17:19.610711Z",
"structure_string": "Mg149 Co1\n1.0\n13.849120 -7.995804 0.000000\n-0.000006 15.991598 0.000000\n0.000000 0.000000 15.326850\nCo Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Co\n0.398123 0.000318 0.000000 Mg\n0.602201 0.000319 0.000000 Mg\n0.810189 0.001659 0.000000 Mg\n0.191476 0.001660 0.000000 Mg\n0.998341 0.189810 0.000000 Mg\n0.191474 0.189812 0.000000 Mg\n0.398340 0.199167 0.000000 Mg\n0.800832 0.199168 0.000000 Mg\n0.599822 0.199642 0.000000 Mg\n0.198419 0.396830 0.000000 Mg\n0.999682 0.397799 0.000000 Mg\n0.398123 0.397799 0.000000 Mg\n0.599822 0.400178 0.000000 Mg\n0.800358 0.400178 0.000000 Mg\n0.199594 0.599795 0.000000 Mg\n0.400203 0.599797 0.000000 Mg\n0.800833 0.601660 0.000000 Mg\n0.999682 0.601877 0.000000 Mg\n0.602201 0.601877 0.000000 Mg\n0.400205 0.800405 0.000000 Mg\n0.603170 0.801582 0.000000 Mg\n0.198417 0.801582 0.000000 Mg\n0.998340 0.808525 0.000000 Mg\n0.810188 0.808527 0.000000 Mg\n0.063158 0.936841 0.158654 Mg\n0.063159 0.126310 0.158654 Mg\n0.873690 0.936842 0.158654 Mg\n0.065814 0.735178 0.165547 Mg\n0.264822 0.934186 0.165547 Mg\n0.264821 0.330629 0.165549 Mg\n0.065815 0.330630 0.165549 Mg\n0.669371 0.735179 0.165549 Mg\n0.669371 0.934185 0.165549 Mg\n0.466722 0.533278 0.166007 Mg\n0.066558 0.533275 0.166007 Mg\n0.466725 0.933443 0.166007 Mg\n0.266229 0.532453 0.166107 Mg\n0.467547 0.733770 0.166107 Mg\n0.266230 0.733770 0.166107 Mg\n0.467035 0.333413 0.166757 Mg\n0.666588 0.532965 0.166757 Mg\n0.467034 0.133616 0.166758 Mg\n0.666589 0.133616 0.166758 Mg\n0.866384 0.333411 0.166758 Mg\n0.866384 0.532966 0.166758 Mg\n0.666668 0.333331 0.166820 Mg\n0.865813 0.134186 0.167117 Mg\n0.268380 0.134186 0.167118 Mg\n0.865813 0.731619 0.167118 Mg\n0.000425 0.198802 0.331520 Mg\n0.000424 0.801614 0.331520 Mg\n0.801198 0.999575 0.331520 Mg\n0.198387 0.999576 0.331520 Mg\n0.198387 0.198804 0.331521 Mg\n0.801196 0.801612 0.331521 Mg\n0.000000 0.000000 0.331737 Mg\n0.399206 0.399484 0.332629 Mg\n0.600516 0.600794 0.332629 Mg\n0.000283 0.600793 0.332629 Mg\n0.399207 0.999718 0.332629 Mg\n0.000284 0.399481 0.332630 Mg\n0.600519 0.999716 0.332630 Mg\n0.199845 0.399681 0.332826 Mg\n0.600319 0.800155 0.332826 Mg\n0.199844 0.800156 0.332826 Mg\n0.200038 0.600015 0.333111 Mg\n0.399985 0.799962 0.333111 Mg\n0.399985 0.600015 0.333112 Mg\n0.599870 0.199729 0.333435 Mg\n0.800271 0.400130 0.333435 Mg\n0.599870 0.400130 0.333437 Mg\n0.800104 0.199896 0.333706 Mg\n0.399801 0.199896 0.333707 Mg\n0.800105 0.600199 0.333707 Mg\n0.066369 0.132727 0.500000 Mg\n0.265806 0.132898 0.500000 Mg\n0.867103 0.132898 0.500000 Mg\n0.666685 0.133148 0.500000 Mg\n0.466477 0.133150 0.500000 Mg\n0.066287 0.332391 0.500000 Mg\n0.266114 0.332393 0.500000 Mg\n0.866852 0.333315 0.500000 Mg\n0.466469 0.333316 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266430 0.532857 0.500000 Mg\n0.466748 0.533252 0.500000 Mg\n0.066511 0.533253 0.500000 Mg\n0.866850 0.533524 0.500000 Mg\n0.666684 0.533531 0.500000 Mg\n0.266434 0.733567 0.500000 Mg\n0.467143 0.733570 0.500000 Mg\n0.667607 0.733886 0.500000 Mg\n0.066288 0.733887 0.500000 Mg\n0.867103 0.734194 0.500000 Mg\n0.466747 0.933489 0.500000 Mg\n0.867274 0.933631 0.500000 Mg\n0.066368 0.933632 0.500000 Mg\n0.266113 0.933711 0.500000 Mg\n0.667609 0.933713 0.500000 Mg\n0.399801 0.199896 0.666293 Mg\n0.800105 0.600199 0.666293 Mg\n0.800104 0.199896 0.666294 Mg\n0.599870 0.400130 0.666563 Mg\n0.599870 0.199729 0.666565 Mg\n0.800271 0.400130 0.666565 Mg\n0.399985 0.600015 0.666888 Mg\n0.200038 0.600015 0.666889 Mg\n0.399985 0.799962 0.666889 Mg\n0.199844 0.800156 0.667174 Mg\n0.199845 0.399681 0.667174 Mg\n0.600319 0.800155 0.667174 Mg\n0.000284 0.399481 0.667370 Mg\n0.600519 0.999716 0.667370 Mg\n0.000283 0.600793 0.667371 Mg\n0.399207 0.999718 0.667371 Mg\n0.399206 0.399484 0.667371 Mg\n0.600516 0.600794 0.667371 Mg\n0.000000 0.000000 0.668263 Mg\n0.198387 0.198804 0.668479 Mg\n0.801196 0.801612 0.668479 Mg\n0.000425 0.198802 0.668480 Mg\n0.000424 0.801614 0.668480 Mg\n0.801198 0.999575 0.668480 Mg\n0.198387 0.999576 0.668480 Mg\n0.268380 0.134186 0.832882 Mg\n0.865813 0.731619 0.832882 Mg\n0.865813 0.134186 0.832883 Mg\n0.666668 0.333331 0.833180 Mg\n0.467034 0.133616 0.833242 Mg\n0.666589 0.133616 0.833242 Mg\n0.866384 0.333411 0.833242 Mg\n0.866384 0.532966 0.833242 Mg\n0.467035 0.333413 0.833243 Mg\n0.666588 0.532965 0.833243 Mg\n0.266229 0.532453 0.833893 Mg\n0.467547 0.733770 0.833893 Mg\n0.266230 0.733770 0.833893 Mg\n0.066558 0.533275 0.833993 Mg\n0.466725 0.933443 0.833993 Mg\n0.466722 0.533278 0.833993 Mg\n0.264821 0.330629 0.834451 Mg\n0.065815 0.330630 0.834451 Mg\n0.669371 0.735179 0.834451 Mg\n0.669371 0.934185 0.834451 Mg\n0.065814 0.735178 0.834453 Mg\n0.264822 0.934186 0.834453 Mg\n0.063159 0.126310 0.841346 Mg\n0.873690 0.936842 0.841346 Mg\n0.063158 0.936841 0.841346 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Co",
"Mg"
],
"chemical_system": "Co-Mg",
"density": 1.8004235758066838,
"density_atomic": 0.044190040929518996,
"volume": 3394.4299856893736,
"volume_molar": 13.627823449190796,
"formula_full": "Mg149 Co1",
"formula_reduced": "Mg149Co",
"formula_anonymous": "AB149",
"formation_energy": 0.0071997039611077,
"spacegroup": 187
},
{
"id": "oqmd-31724",
"created_at": "2022-09-04T14:49:00.927147Z",
"updated_at": "2022-09-04T14:49:00.927172Z",
"structure_string": "Mg149 Cd1\n1.0\n13.771522 -7.950996 0.000000\n0.000000 15.901991 0.000000\n0.000000 0.000000 15.624136\nCd Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cd\n0.199418 0.000610 0.000000 Mg\n0.801192 0.000610 0.000000 Mg\n0.199418 0.198808 0.000000 Mg\n0.999390 0.198808 0.000000 Mg\n0.399617 0.199808 0.000000 Mg\n0.800192 0.199808 0.000000 Mg\n0.599962 0.199924 0.000000 Mg\n0.199584 0.399169 0.000000 Mg\n0.399867 0.399946 0.000000 Mg\n0.000000 0.399947 0.000000 Mg\n0.599962 0.400038 0.000000 Mg\n0.800076 0.400038 0.000000 Mg\n0.400056 0.599944 0.000000 Mg\n0.199888 0.599944 0.000000 Mg\n0.000000 0.600132 0.000000 Mg\n0.600054 0.600133 0.000000 Mg\n0.800192 0.600383 0.000000 Mg\n0.400056 0.800112 0.000000 Mg\n0.199584 0.800415 0.000000 Mg\n0.600831 0.800416 0.000000 Mg\n0.999390 0.800581 0.000000 Mg\n0.801192 0.800582 0.000000 Mg\n0.399867 0.000000 0.000000 Mg\n0.600054 0.000000 0.000000 Mg\n0.066397 0.132794 0.166005 Mg\n0.867206 0.933603 0.166005 Mg\n0.066397 0.933603 0.166005 Mg\n0.266273 0.332727 0.166426 Mg\n0.066455 0.332727 0.166426 Mg\n0.066455 0.733727 0.166426 Mg\n0.667273 0.733727 0.166426 Mg\n0.667273 0.933546 0.166426 Mg\n0.266273 0.933546 0.166426 Mg\n0.466781 0.133345 0.166566 Mg\n0.666564 0.133345 0.166566 Mg\n0.466781 0.333436 0.166566 Mg\n0.866655 0.333436 0.166566 Mg\n0.666564 0.533219 0.166566 Mg\n0.866655 0.533219 0.166566 Mg\n0.666666 0.333333 0.166580 Mg\n0.466627 0.533372 0.166628 Mg\n0.066745 0.533373 0.166628 Mg\n0.466627 0.933255 0.166628 Mg\n0.266554 0.533110 0.166704 Mg\n0.266554 0.733445 0.166704 Mg\n0.466890 0.733445 0.166704 Mg\n0.866348 0.133652 0.167193 Mg\n0.267304 0.133652 0.167193 Mg\n0.866348 0.732696 0.167193 Mg\n0.000000 0.000000 0.332905 Mg\n0.000000 0.199902 0.333224 Mg\n0.199852 0.199902 0.333224 Mg\n0.800098 0.800148 0.333224 Mg\n0.000000 0.800148 0.333224 Mg\n0.199852 0.000000 0.333224 Mg\n0.800098 0.000000 0.333224 Mg\n0.399882 0.000000 0.333235 Mg\n0.600168 0.000000 0.333235 Mg\n0.000000 0.399832 0.333235 Mg\n0.399882 0.399833 0.333235 Mg\n0.000000 0.600117 0.333235 Mg\n0.600168 0.600117 0.333235 Mg\n0.199953 0.399906 0.333245 Mg\n0.199953 0.800047 0.333245 Mg\n0.600093 0.800047 0.333245 Mg\n0.600008 0.200016 0.333274 Mg\n0.600008 0.399992 0.333274 Mg\n0.799984 0.399992 0.333274 Mg\n0.799979 0.200021 0.333385 Mg\n0.400042 0.200021 0.333385 Mg\n0.799979 0.599958 0.333385 Mg\n0.400009 0.599991 0.333444 Mg\n0.199983 0.599992 0.333444 Mg\n0.400009 0.800017 0.333444 Mg\n0.066608 0.133216 0.500000 Mg\n0.866684 0.133316 0.500000 Mg\n0.266631 0.133316 0.500000 Mg\n0.466744 0.133348 0.500000 Mg\n0.666605 0.133348 0.500000 Mg\n0.266690 0.333276 0.500000 Mg\n0.066586 0.333276 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866652 0.333395 0.500000 Mg\n0.466744 0.333396 0.500000 Mg\n0.866652 0.533256 0.500000 Mg\n0.666605 0.533257 0.500000 Mg\n0.466722 0.533278 0.500000 Mg\n0.066557 0.533279 0.500000 Mg\n0.266648 0.533297 0.500000 Mg\n0.066586 0.733310 0.500000 Mg\n0.666724 0.733310 0.500000 Mg\n0.266648 0.733351 0.500000 Mg\n0.466704 0.733352 0.500000 Mg\n0.866684 0.733368 0.500000 Mg\n0.866784 0.933392 0.500000 Mg\n0.066608 0.933392 0.500000 Mg\n0.666724 0.933414 0.500000 Mg\n0.266690 0.933414 0.500000 Mg\n0.466722 0.933444 0.500000 Mg\n0.400009 0.599991 0.666556 Mg\n0.199983 0.599992 0.666556 Mg\n0.400009 0.800017 0.666556 Mg\n0.799979 0.200021 0.666615 Mg\n0.400042 0.200021 0.666615 Mg\n0.799979 0.599958 0.666615 Mg\n0.600008 0.200016 0.666726 Mg\n0.600008 0.399992 0.666726 Mg\n0.799984 0.399992 0.666726 Mg\n0.199953 0.399906 0.666754 Mg\n0.199953 0.800047 0.666754 Mg\n0.600093 0.800047 0.666754 Mg\n0.399882 0.000000 0.666765 Mg\n0.600168 0.000000 0.666765 Mg\n0.000000 0.399832 0.666765 Mg\n0.399882 0.399833 0.666765 Mg\n0.000000 0.600117 0.666765 Mg\n0.600168 0.600117 0.666765 Mg\n0.000000 0.199902 0.666776 Mg\n0.199852 0.199902 0.666776 Mg\n0.800098 0.800148 0.666776 Mg\n0.000000 0.800148 0.666776 Mg\n0.199852 0.000000 0.666776 Mg\n0.800098 0.000000 0.666776 Mg\n0.000000 0.000000 0.667095 Mg\n0.866348 0.133652 0.832807 Mg\n0.267304 0.133652 0.832807 Mg\n0.866348 0.732696 0.832807 Mg\n0.266554 0.533110 0.833296 Mg\n0.266554 0.733445 0.833296 Mg\n0.466890 0.733445 0.833296 Mg\n0.466627 0.533372 0.833372 Mg\n0.066745 0.533373 0.833372 Mg\n0.466627 0.933255 0.833372 Mg\n0.666666 0.333333 0.833420 Mg\n0.466781 0.133345 0.833434 Mg\n0.666564 0.133345 0.833434 Mg\n0.466781 0.333436 0.833434 Mg\n0.866655 0.333436 0.833434 Mg\n0.666564 0.533219 0.833434 Mg\n0.866655 0.533219 0.833434 Mg\n0.266273 0.332727 0.833574 Mg\n0.066455 0.332727 0.833574 Mg\n0.066455 0.733727 0.833574 Mg\n0.667273 0.733727 0.833574 Mg\n0.667273 0.933546 0.833574 Mg\n0.266273 0.933546 0.833574 Mg\n0.066397 0.132794 0.833995 Mg\n0.867206 0.933603 0.833995 Mg\n0.066397 0.933603 0.833995 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Cd",
"Mg"
],
"chemical_system": "Cd-Mg",
"density": 1.812079337232858,
"density_atomic": 0.043839117687753386,
"volume": 3421.601708966489,
"volume_molar": 13.736911410701833,
"formula_full": "Mg149 Cd1",
"formula_reduced": "Mg149Cd",
"formula_anonymous": "AB149",
"formation_energy": -0.0016492601722255,
"spacegroup": 187
},
{
"id": "oqmd-31751",
"created_at": "2022-09-04T14:49:00.816900Z",
"updated_at": "2022-09-04T14:49:00.816928Z",
"structure_string": "Mg149 Mn1\n1.0\n13.771392 -7.950920 0.000000\n0.000000 15.901841 0.000000\n0.000000 0.000000 15.586468\nMg Mn\n149 1\ndirect\n0.601462 0.000101 0.000000 Mg\n0.398639 0.000101 0.000000 Mg\n0.805765 0.000501 0.000000 Mg\n0.194736 0.000501 0.000000 Mg\n0.999500 0.194235 0.000000 Mg\n0.194736 0.194236 0.000000 Mg\n0.599785 0.199571 0.000000 Mg\n0.399201 0.199600 0.000000 Mg\n0.800400 0.199600 0.000000 Mg\n0.398639 0.398538 0.000000 Mg\n0.999899 0.398539 0.000000 Mg\n0.199339 0.398677 0.000000 Mg\n0.599785 0.400214 0.000000 Mg\n0.800429 0.400214 0.000000 Mg\n0.400116 0.599884 0.000000 Mg\n0.199769 0.599885 0.000000 Mg\n0.800400 0.600799 0.000000 Mg\n0.999899 0.601360 0.000000 Mg\n0.601462 0.601361 0.000000 Mg\n0.400116 0.800231 0.000000 Mg\n0.199339 0.800661 0.000000 Mg\n0.601323 0.800661 0.000000 Mg\n0.805765 0.805264 0.000000 Mg\n0.999500 0.805264 0.000000 Mg\n0.064787 0.129575 0.161980 Mg\n0.064787 0.935212 0.161980 Mg\n0.870425 0.935213 0.161980 Mg\n0.265860 0.332387 0.166206 Mg\n0.066528 0.332388 0.166206 Mg\n0.667612 0.734140 0.166206 Mg\n0.066528 0.734140 0.166206 Mg\n0.265860 0.933472 0.166206 Mg\n0.667612 0.933473 0.166206 Mg\n0.466703 0.533297 0.166378 Mg\n0.066594 0.533297 0.166378 Mg\n0.466703 0.933406 0.166378 Mg\n0.666667 0.333333 0.166495 Mg\n0.266535 0.533070 0.166566 Mg\n0.466930 0.733465 0.166566 Mg\n0.266535 0.733465 0.166566 Mg\n0.466571 0.133303 0.166585 Mg\n0.666732 0.133303 0.166585 Mg\n0.466571 0.333268 0.166585 Mg\n0.866697 0.333268 0.166585 Mg\n0.866697 0.533429 0.166585 Mg\n0.666732 0.533429 0.166585 Mg\n0.267192 0.133596 0.166733 Mg\n0.866404 0.133596 0.166733 Mg\n0.866404 0.732808 0.166733 Mg\n0.199246 0.199511 0.332213 Mg\n0.000265 0.199511 0.332213 Mg\n0.000265 0.800754 0.332213 Mg\n0.800489 0.800754 0.332213 Mg\n0.199246 0.999735 0.332213 Mg\n0.800489 0.999736 0.332213 Mg\n0.000000 0.000000 0.332666 Mg\n0.000000 0.399742 0.333042 Mg\n0.399711 0.399742 0.333042 Mg\n0.000000 0.600290 0.333042 Mg\n0.600258 0.600290 0.333042 Mg\n0.600258 0.000000 0.333042 Mg\n0.399711 0.000000 0.333042 Mg\n0.599973 0.199946 0.333224 Mg\n0.599973 0.400027 0.333224 Mg\n0.800054 0.400027 0.333224 Mg\n0.200002 0.400004 0.333297 Mg\n0.599996 0.799998 0.333297 Mg\n0.200002 0.799998 0.333297 Mg\n0.800069 0.199930 0.333422 Mg\n0.399861 0.199930 0.333422 Mg\n0.800069 0.600139 0.333422 Mg\n0.400011 0.599989 0.333432 Mg\n0.199978 0.599989 0.333432 Mg\n0.400011 0.800022 0.333432 Mg\n0.066576 0.133153 0.500000 Mg\n0.266306 0.133153 0.500000 Mg\n0.866847 0.133153 0.500000 Mg\n0.666770 0.133551 0.500000 Mg\n0.466781 0.133552 0.500000 Mg\n0.066412 0.332939 0.500000 Mg\n0.266527 0.332940 0.500000 Mg\n0.866448 0.333229 0.500000 Mg\n0.466781 0.333229 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266554 0.533108 0.500000 Mg\n0.466824 0.533176 0.500000 Mg\n0.066351 0.533176 0.500000 Mg\n0.666770 0.533218 0.500000 Mg\n0.866448 0.533219 0.500000 Mg\n0.466893 0.733446 0.500000 Mg\n0.266554 0.733447 0.500000 Mg\n0.066412 0.733473 0.500000 Mg\n0.667060 0.733473 0.500000 Mg\n0.866847 0.733694 0.500000 Mg\n0.866847 0.933423 0.500000 Mg\n0.066576 0.933424 0.500000 Mg\n0.667060 0.933587 0.500000 Mg\n0.266527 0.933587 0.500000 Mg\n0.466824 0.933649 0.500000 Mg\n0.400011 0.599989 0.666569 Mg\n0.199978 0.599989 0.666569 Mg\n0.400011 0.800022 0.666569 Mg\n0.800069 0.199930 0.666578 Mg\n0.399861 0.199930 0.666578 Mg\n0.800069 0.600139 0.666578 Mg\n0.200002 0.400004 0.666703 Mg\n0.599996 0.799998 0.666703 Mg\n0.200002 0.799998 0.666703 Mg\n0.599973 0.199946 0.666776 Mg\n0.599973 0.400027 0.666776 Mg\n0.800054 0.400027 0.666776 Mg\n0.000000 0.399742 0.666958 Mg\n0.399711 0.399742 0.666958 Mg\n0.000000 0.600290 0.666958 Mg\n0.600258 0.600290 0.666958 Mg\n0.600258 0.000000 0.666958 Mg\n0.399711 0.000000 0.666958 Mg\n0.000000 0.000000 0.667334 Mg\n0.199246 0.199511 0.667788 Mg\n0.000265 0.199511 0.667788 Mg\n0.000265 0.800754 0.667788 Mg\n0.800489 0.800754 0.667788 Mg\n0.199246 0.999735 0.667788 Mg\n0.800489 0.999736 0.667788 Mg\n0.267192 0.133596 0.833267 Mg\n0.866404 0.133596 0.833267 Mg\n0.866404 0.732808 0.833267 Mg\n0.466571 0.133303 0.833415 Mg\n0.666732 0.133303 0.833415 Mg\n0.466571 0.333268 0.833415 Mg\n0.866697 0.333268 0.833415 Mg\n0.866697 0.533429 0.833415 Mg\n0.666732 0.533429 0.833415 Mg\n0.266535 0.533070 0.833434 Mg\n0.466930 0.733465 0.833434 Mg\n0.266535 0.733465 0.833434 Mg\n0.666667 0.333333 0.833505 Mg\n0.466703 0.533297 0.833622 Mg\n0.066594 0.533297 0.833622 Mg\n0.466703 0.933406 0.833622 Mg\n0.265860 0.332387 0.833794 Mg\n0.066528 0.332388 0.833794 Mg\n0.667612 0.734140 0.833794 Mg\n0.066528 0.734140 0.833794 Mg\n0.265860 0.933472 0.833794 Mg\n0.667612 0.933473 0.833794 Mg\n0.064787 0.129575 0.838021 Mg\n0.064787 0.935212 0.838021 Mg\n0.870425 0.935213 0.838021 Mg\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Mn"
],
"chemical_system": "Mg-Mn",
"density": 1.7885327314857058,
"density_atomic": 0.043945893564783706,
"volume": 3413.288201294042,
"volume_molar": 13.703534668426624,
"formula_full": "Mg149 Mn1",
"formula_reduced": "Mg149Mn",
"formula_anonymous": "AB149",
"formation_energy": 0.0052474972691536,
"spacegroup": 187
},
{
"id": "oqmd-31715",
"created_at": "2022-09-04T15:15:52.028548Z",
"updated_at": "2022-09-04T15:15:52.028576Z",
"structure_string": "Mg149 As1\n1.0\n13.783001 -7.957623 0.000000\n0.000000 15.915246 0.000000\n0.000000 0.000000 15.604084\nAs Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 As\n0.198228 0.001468 0.000000 Mg\n0.803239 0.001468 0.000000 Mg\n0.198228 0.196760 0.000000 Mg\n0.998532 0.196761 0.000000 Mg\n0.800511 0.199489 0.000000 Mg\n0.398979 0.199490 0.000000 Mg\n0.600059 0.200119 0.000000 Mg\n0.198780 0.397560 0.000000 Mg\n0.799882 0.399941 0.000000 Mg\n0.600059 0.399941 0.000000 Mg\n0.000249 0.400140 0.000000 Mg\n0.399891 0.400140 0.000000 Mg\n0.400054 0.599946 0.000000 Mg\n0.199893 0.599946 0.000000 Mg\n0.599861 0.600109 0.000000 Mg\n0.000249 0.600109 0.000000 Mg\n0.800511 0.601021 0.000000 Mg\n0.400054 0.800107 0.000000 Mg\n0.198780 0.801220 0.000000 Mg\n0.602440 0.801220 0.000000 Mg\n0.803239 0.801771 0.000000 Mg\n0.998532 0.801772 0.000000 Mg\n0.599861 0.999751 0.000000 Mg\n0.399891 0.999752 0.000000 Mg\n0.065725 0.131450 0.164745 Mg\n0.065725 0.934274 0.164745 Mg\n0.868550 0.934275 0.164745 Mg\n0.265614 0.331561 0.165869 Mg\n0.065947 0.331561 0.165869 Mg\n0.668439 0.734386 0.165869 Mg\n0.065947 0.734386 0.165869 Mg\n0.668439 0.934053 0.165869 Mg\n0.265614 0.934053 0.165869 Mg\n0.266267 0.532535 0.166134 Mg\n0.467465 0.733732 0.166134 Mg\n0.266267 0.733733 0.166134 Mg\n0.666625 0.133263 0.166270 Mg\n0.466639 0.133263 0.166270 Mg\n0.866736 0.333375 0.166270 Mg\n0.466639 0.333376 0.166270 Mg\n0.866736 0.533361 0.166270 Mg\n0.666625 0.533361 0.166270 Mg\n0.666667 0.333333 0.166273 Mg\n0.066690 0.533345 0.166365 Mg\n0.466655 0.533345 0.166365 Mg\n0.466655 0.933311 0.166365 Mg\n0.866452 0.133547 0.167282 Mg\n0.267095 0.133547 0.167282 Mg\n0.866452 0.732905 0.167282 Mg\n0.000000 0.000000 0.331593 Mg\n0.199788 0.399577 0.332742 Mg\n0.600424 0.800212 0.332742 Mg\n0.199788 0.800212 0.332742 Mg\n0.399719 0.399759 0.333017 Mg\n0.000000 0.399759 0.333017 Mg\n0.000000 0.600281 0.333017 Mg\n0.600241 0.600281 0.333017 Mg\n0.600241 0.000000 0.333017 Mg\n0.399719 0.000000 0.333017 Mg\n0.599984 0.199968 0.333092 Mg\n0.599984 0.400016 0.333092 Mg\n0.800033 0.400016 0.333092 Mg\n0.399763 0.199881 0.333098 Mg\n0.800119 0.199882 0.333098 Mg\n0.800119 0.600237 0.333098 Mg\n0.199996 0.599998 0.333130 Mg\n0.400002 0.599998 0.333130 Mg\n0.400002 0.800004 0.333130 Mg\n0.199496 0.199647 0.333140 Mg\n0.000151 0.199648 0.333140 Mg\n0.000151 0.800504 0.333140 Mg\n0.800353 0.800504 0.333140 Mg\n0.800353 0.999849 0.333140 Mg\n0.199496 0.999849 0.333140 Mg\n0.066525 0.133050 0.500000 Mg\n0.266548 0.133274 0.500000 Mg\n0.866726 0.133274 0.500000 Mg\n0.466763 0.133313 0.500000 Mg\n0.666550 0.133314 0.500000 Mg\n0.066564 0.333045 0.500000 Mg\n0.266482 0.333046 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866686 0.333450 0.500000 Mg\n0.466763 0.333450 0.500000 Mg\n0.666550 0.533236 0.500000 Mg\n0.866686 0.533237 0.500000 Mg\n0.266676 0.533353 0.500000 Mg\n0.066836 0.533418 0.500000 Mg\n0.466582 0.533418 0.500000 Mg\n0.266676 0.733323 0.500000 Mg\n0.466647 0.733323 0.500000 Mg\n0.866726 0.733452 0.500000 Mg\n0.666954 0.733518 0.500000 Mg\n0.066564 0.733518 0.500000 Mg\n0.466582 0.933164 0.500000 Mg\n0.666954 0.933436 0.500000 Mg\n0.266482 0.933437 0.500000 Mg\n0.866951 0.933475 0.500000 Mg\n0.066525 0.933475 0.500000 Mg\n0.199496 0.199647 0.666859 Mg\n0.000151 0.199648 0.666859 Mg\n0.000151 0.800504 0.666859 Mg\n0.800353 0.800504 0.666859 Mg\n0.800353 0.999849 0.666859 Mg\n0.199496 0.999849 0.666859 Mg\n0.199996 0.599998 0.666870 Mg\n0.400002 0.599998 0.666870 Mg\n0.400002 0.800004 0.666870 Mg\n0.399763 0.199881 0.666902 Mg\n0.800119 0.199882 0.666902 Mg\n0.800119 0.600237 0.666902 Mg\n0.599984 0.199968 0.666908 Mg\n0.599984 0.400016 0.666908 Mg\n0.800033 0.400016 0.666908 Mg\n0.399719 0.399759 0.666984 Mg\n0.000000 0.399759 0.666984 Mg\n0.000000 0.600281 0.666984 Mg\n0.600241 0.600281 0.666984 Mg\n0.600241 0.000000 0.666984 Mg\n0.399719 0.000000 0.666984 Mg\n0.199788 0.399577 0.667258 Mg\n0.600424 0.800212 0.667258 Mg\n0.199788 0.800212 0.667258 Mg\n0.000000 0.000000 0.668407 Mg\n0.866452 0.133547 0.832718 Mg\n0.267095 0.133547 0.832718 Mg\n0.866452 0.732905 0.832718 Mg\n0.066690 0.533345 0.833635 Mg\n0.466655 0.533345 0.833635 Mg\n0.466655 0.933311 0.833635 Mg\n0.666667 0.333333 0.833727 Mg\n0.666625 0.133263 0.833730 Mg\n0.466639 0.133263 0.833730 Mg\n0.866736 0.333375 0.833730 Mg\n0.466639 0.333376 0.833730 Mg\n0.866736 0.533361 0.833730 Mg\n0.666625 0.533361 0.833730 Mg\n0.266267 0.532535 0.833866 Mg\n0.467465 0.733732 0.833866 Mg\n0.266267 0.733733 0.833866 Mg\n0.265614 0.331561 0.834131 Mg\n0.065947 0.331561 0.834131 Mg\n0.668439 0.734386 0.834131 Mg\n0.065947 0.734386 0.834131 Mg\n0.668439 0.934053 0.834131 Mg\n0.265614 0.934053 0.834131 Mg\n0.065725 0.131450 0.835256 Mg\n0.065725 0.934274 0.835256 Mg\n0.868550 0.934275 0.835256 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"As",
"Mg"
],
"chemical_system": "As-Mg",
"density": 1.7931999239004819,
"density_atomic": 0.04382236744164604,
"volume": 3422.9095495522993,
"volume_molar": 13.742162077434761,
"formula_full": "Mg149 As1",
"formula_reduced": "Mg149As",
"formula_anonymous": "AB149",
"formation_energy": -0.0028655752055588,
"spacegroup": 187
},
{
"id": "oqmd-31772",
"created_at": "2022-09-04T14:49:03.396305Z",
"updated_at": "2022-09-04T14:49:03.396341Z",
"structure_string": "Mg149 Ru1\n1.0\n13.779458 -7.955578 0.000000\n0.000000 15.911155 0.000000\n0.000000 0.000000 15.536454\nMg Ru\n149 1\ndirect\n0.397524 0.000369 0.000000 Mg\n0.602844 0.000369 0.000000 Mg\n0.189773 0.001749 0.000000 Mg\n0.811977 0.001749 0.000000 Mg\n0.998250 0.188023 0.000000 Mg\n0.189773 0.188024 0.000000 Mg\n0.397901 0.198951 0.000000 Mg\n0.801050 0.198951 0.000000 Mg\n0.599758 0.199515 0.000000 Mg\n0.198321 0.396643 0.000000 Mg\n0.397524 0.397155 0.000000 Mg\n0.999631 0.397155 0.000000 Mg\n0.800484 0.400242 0.000000 Mg\n0.599758 0.400243 0.000000 Mg\n0.400249 0.599751 0.000000 Mg\n0.199501 0.599751 0.000000 Mg\n0.801050 0.602099 0.000000 Mg\n0.602844 0.602475 0.000000 Mg\n0.999631 0.602475 0.000000 Mg\n0.400249 0.800498 0.000000 Mg\n0.603358 0.801679 0.000000 Mg\n0.198321 0.801679 0.000000 Mg\n0.998250 0.810227 0.000000 Mg\n0.811977 0.810227 0.000000 Mg\n0.062947 0.125893 0.157109 Mg\n0.062947 0.937053 0.157109 Mg\n0.874107 0.937054 0.157109 Mg\n0.065980 0.330681 0.165411 Mg\n0.264701 0.330681 0.165411 Mg\n0.065980 0.735300 0.165411 Mg\n0.669320 0.735300 0.165411 Mg\n0.669320 0.934020 0.165411 Mg\n0.264701 0.934020 0.165411 Mg\n0.066640 0.533320 0.165961 Mg\n0.466680 0.533320 0.165961 Mg\n0.466680 0.933360 0.165961 Mg\n0.266338 0.532675 0.166326 Mg\n0.467325 0.733662 0.166326 Mg\n0.266338 0.733663 0.166326 Mg\n0.467100 0.133615 0.166714 Mg\n0.666515 0.133615 0.166714 Mg\n0.467100 0.333485 0.166714 Mg\n0.866385 0.333485 0.166714 Mg\n0.866385 0.532900 0.166714 Mg\n0.666515 0.532900 0.166714 Mg\n0.666667 0.333334 0.166822 Mg\n0.865575 0.134425 0.167308 Mg\n0.268850 0.134425 0.167308 Mg\n0.865575 0.731150 0.167308 Mg\n0.198469 0.198927 0.330927 Mg\n0.000458 0.198927 0.330927 Mg\n0.000458 0.801532 0.330927 Mg\n0.801074 0.801532 0.330927 Mg\n0.198469 0.999542 0.330927 Mg\n0.801074 0.999542 0.330927 Mg\n0.000000 0.000000 0.331612 Mg\n0.000124 0.399547 0.332751 Mg\n0.399423 0.399547 0.332751 Mg\n0.600452 0.600577 0.332751 Mg\n0.000124 0.600577 0.332751 Mg\n0.399423 0.999875 0.332751 Mg\n0.600452 0.999876 0.332751 Mg\n0.199956 0.399912 0.333018 Mg\n0.199956 0.800044 0.333018 Mg\n0.600088 0.800044 0.333018 Mg\n0.200052 0.600026 0.333431 Mg\n0.399974 0.600026 0.333431 Mg\n0.399974 0.799948 0.333431 Mg\n0.599952 0.199904 0.333520 Mg\n0.599952 0.400048 0.333520 Mg\n0.800096 0.400048 0.333520 Mg\n0.800005 0.199994 0.333642 Mg\n0.399989 0.199994 0.333642 Mg\n0.800005 0.600011 0.333642 Mg\n0.265963 0.132981 0.500000 Mg\n0.867019 0.132981 0.500000 Mg\n0.066491 0.132982 0.500000 Mg\n0.466737 0.133403 0.500000 Mg\n0.666667 0.133403 0.500000 Mg\n0.266389 0.332695 0.500000 Mg\n0.066306 0.332695 0.500000 Mg\n0.866596 0.333333 0.500000 Mg\n0.466737 0.333333 0.500000 Mg\n0.666667 0.333334 0.500000 Mg\n0.266518 0.533037 0.500000 Mg\n0.466767 0.533232 0.500000 Mg\n0.066465 0.533233 0.500000 Mg\n0.866596 0.533263 0.500000 Mg\n0.666667 0.533264 0.500000 Mg\n0.466963 0.733482 0.500000 Mg\n0.266518 0.733482 0.500000 Mg\n0.066306 0.733611 0.500000 Mg\n0.667305 0.733611 0.500000 Mg\n0.867019 0.734038 0.500000 Mg\n0.066491 0.933509 0.500000 Mg\n0.867018 0.933509 0.500000 Mg\n0.466767 0.933535 0.500000 Mg\n0.266389 0.933694 0.500000 Mg\n0.667305 0.933694 0.500000 Mg\n0.800005 0.199994 0.666357 Mg\n0.399989 0.199994 0.666357 Mg\n0.800005 0.600011 0.666357 Mg\n0.599952 0.199904 0.666480 Mg\n0.599952 0.400048 0.666480 Mg\n0.800096 0.400048 0.666480 Mg\n0.200052 0.600026 0.666569 Mg\n0.399974 0.600026 0.666569 Mg\n0.399974 0.799948 0.666569 Mg\n0.199956 0.399912 0.666982 Mg\n0.199956 0.800044 0.666982 Mg\n0.600088 0.800044 0.666982 Mg\n0.000124 0.399547 0.667249 Mg\n0.399423 0.399547 0.667249 Mg\n0.600452 0.600577 0.667249 Mg\n0.000124 0.600577 0.667249 Mg\n0.399423 0.999875 0.667249 Mg\n0.600452 0.999876 0.667249 Mg\n0.000000 0.000000 0.668387 Mg\n0.198469 0.198927 0.669073 Mg\n0.000458 0.198927 0.669073 Mg\n0.000458 0.801532 0.669073 Mg\n0.801074 0.801532 0.669073 Mg\n0.198469 0.999542 0.669073 Mg\n0.801074 0.999542 0.669073 Mg\n0.865575 0.134425 0.832693 Mg\n0.268850 0.134425 0.832693 Mg\n0.865575 0.731150 0.832693 Mg\n0.666667 0.333334 0.833179 Mg\n0.467100 0.133615 0.833286 Mg\n0.666515 0.133615 0.833286 Mg\n0.467100 0.333485 0.833286 Mg\n0.866385 0.333485 0.833286 Mg\n0.866385 0.532900 0.833286 Mg\n0.666515 0.532900 0.833286 Mg\n0.266338 0.532675 0.833674 Mg\n0.467325 0.733662 0.833674 Mg\n0.266338 0.733663 0.833674 Mg\n0.066640 0.533320 0.834040 Mg\n0.466680 0.533320 0.834040 Mg\n0.466680 0.933360 0.834040 Mg\n0.065980 0.330681 0.834589 Mg\n0.264701 0.330681 0.834589 Mg\n0.065980 0.735300 0.834589 Mg\n0.669320 0.735300 0.834589 Mg\n0.669320 0.934020 0.834589 Mg\n0.264701 0.934020 0.834589 Mg\n0.062947 0.125893 0.842891 Mg\n0.062947 0.937053 0.842891 Mg\n0.874107 0.937054 0.842891 Mg\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Ru"
],
"chemical_system": "Mg-Ru",
"density": 1.8146789791511688,
"density_atomic": 0.0440357617784133,
"volume": 3406.3223603305814,
"volume_molar": 13.675568485230803,
"formula_full": "Mg149 Ru1",
"formula_reduced": "Mg149Ru",
"formula_anonymous": "AB149",
"formation_energy": 0.0005769589611079,
"spacegroup": 187
},
{
"id": "oqmd-31739",
"created_at": "2022-09-04T14:49:02.469148Z",
"updated_at": "2022-09-04T14:49:02.469180Z",
"structure_string": "Mg149 H1\n1.0\n13.772230 -7.951404 0.000000\n0.000000 15.902809 0.000000\n0.000000 0.000000 15.597132\nH Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 H\n0.804084 0.000561 0.000000 Mg\n0.196477 0.000561 0.000000 Mg\n0.196477 0.195915 0.000000 Mg\n0.999439 0.195916 0.000000 Mg\n0.399102 0.199551 0.000000 Mg\n0.800449 0.199551 0.000000 Mg\n0.599967 0.199934 0.000000 Mg\n0.199243 0.398486 0.000000 Mg\n0.000252 0.399588 0.000000 Mg\n0.399336 0.399589 0.000000 Mg\n0.800066 0.400033 0.000000 Mg\n0.599967 0.400033 0.000000 Mg\n0.200051 0.600025 0.000000 Mg\n0.399974 0.600025 0.000000 Mg\n0.000252 0.600663 0.000000 Mg\n0.600411 0.600664 0.000000 Mg\n0.800449 0.600899 0.000000 Mg\n0.399974 0.799949 0.000000 Mg\n0.601515 0.800757 0.000000 Mg\n0.199243 0.800757 0.000000 Mg\n0.804084 0.803523 0.000000 Mg\n0.999439 0.803524 0.000000 Mg\n0.600411 0.999747 0.000000 Mg\n0.399336 0.999747 0.000000 Mg\n0.065231 0.130461 0.162947 Mg\n0.065231 0.934769 0.162947 Mg\n0.869539 0.934769 0.162947 Mg\n0.265918 0.332408 0.166221 Mg\n0.066489 0.332408 0.166221 Mg\n0.066489 0.734081 0.166221 Mg\n0.667592 0.734081 0.166221 Mg\n0.667592 0.933511 0.166221 Mg\n0.265918 0.933511 0.166221 Mg\n0.666667 0.333333 0.166388 Mg\n0.666893 0.133081 0.166428 Mg\n0.466188 0.133082 0.166428 Mg\n0.866918 0.333106 0.166428 Mg\n0.466188 0.333107 0.166428 Mg\n0.866918 0.533812 0.166428 Mg\n0.666893 0.533812 0.166428 Mg\n0.867144 0.132856 0.166443 Mg\n0.265712 0.132856 0.166443 Mg\n0.867144 0.734288 0.166443 Mg\n0.266488 0.532975 0.166565 Mg\n0.467025 0.733512 0.166565 Mg\n0.266488 0.733513 0.166565 Mg\n0.066660 0.533330 0.166703 Mg\n0.466670 0.533330 0.166703 Mg\n0.466670 0.933339 0.166703 Mg\n0.000000 0.000000 0.330854 Mg\n0.000390 0.199887 0.332903 Mg\n0.199497 0.199887 0.332903 Mg\n0.800114 0.800503 0.332903 Mg\n0.000390 0.800503 0.332903 Mg\n0.199497 0.999610 0.332903 Mg\n0.800114 0.999611 0.332903 Mg\n0.599981 0.199961 0.333039 Mg\n0.800039 0.400019 0.333039 Mg\n0.599981 0.400020 0.333039 Mg\n0.800172 0.199828 0.333109 Mg\n0.399656 0.199828 0.333109 Mg\n0.800172 0.600344 0.333109 Mg\n0.000000 0.399839 0.333185 Mg\n0.399831 0.399840 0.333185 Mg\n0.000000 0.600169 0.333185 Mg\n0.600161 0.600169 0.333185 Mg\n0.399831 0.000000 0.333185 Mg\n0.600161 0.000000 0.333185 Mg\n0.199962 0.399923 0.333193 Mg\n0.600077 0.800038 0.333193 Mg\n0.199962 0.800039 0.333193 Mg\n0.200051 0.600025 0.333458 Mg\n0.399974 0.600025 0.333458 Mg\n0.399974 0.799949 0.333458 Mg\n0.066413 0.132826 0.500000 Mg\n0.266676 0.133338 0.500000 Mg\n0.866662 0.133338 0.500000 Mg\n0.666740 0.133728 0.500000 Mg\n0.466988 0.133728 0.500000 Mg\n0.066495 0.333167 0.500000 Mg\n0.266671 0.333167 0.500000 Mg\n0.866271 0.333259 0.500000 Mg\n0.466988 0.333259 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.666740 0.533012 0.500000 Mg\n0.866271 0.533012 0.500000 Mg\n0.066396 0.533198 0.500000 Mg\n0.466802 0.533198 0.500000 Mg\n0.266669 0.533338 0.500000 Mg\n0.866662 0.733324 0.500000 Mg\n0.066495 0.733328 0.500000 Mg\n0.666832 0.733329 0.500000 Mg\n0.466662 0.733331 0.500000 Mg\n0.266669 0.733331 0.500000 Mg\n0.666832 0.933504 0.500000 Mg\n0.266671 0.933504 0.500000 Mg\n0.867174 0.933587 0.500000 Mg\n0.066413 0.933587 0.500000 Mg\n0.466802 0.933604 0.500000 Mg\n0.200051 0.600025 0.666542 Mg\n0.399974 0.600025 0.666542 Mg\n0.399974 0.799949 0.666542 Mg\n0.199962 0.399923 0.666808 Mg\n0.600077 0.800038 0.666808 Mg\n0.199962 0.800039 0.666808 Mg\n0.000000 0.399839 0.666815 Mg\n0.399831 0.399840 0.666815 Mg\n0.000000 0.600169 0.666815 Mg\n0.600161 0.600169 0.666815 Mg\n0.399831 0.000000 0.666815 Mg\n0.600161 0.000000 0.666815 Mg\n0.800172 0.199828 0.666891 Mg\n0.399656 0.199828 0.666891 Mg\n0.800172 0.600344 0.666891 Mg\n0.599981 0.199961 0.666960 Mg\n0.800039 0.400019 0.666960 Mg\n0.599981 0.400020 0.666960 Mg\n0.000390 0.199887 0.667097 Mg\n0.199497 0.199887 0.667097 Mg\n0.800114 0.800503 0.667097 Mg\n0.000390 0.800503 0.667097 Mg\n0.199497 0.999610 0.667097 Mg\n0.800114 0.999611 0.667097 Mg\n0.000000 0.000000 0.669146 Mg\n0.066660 0.533330 0.833297 Mg\n0.466670 0.533330 0.833297 Mg\n0.466670 0.933339 0.833297 Mg\n0.266488 0.532975 0.833435 Mg\n0.467025 0.733512 0.833435 Mg\n0.266488 0.733513 0.833435 Mg\n0.867144 0.132856 0.833557 Mg\n0.265712 0.132856 0.833557 Mg\n0.867144 0.734288 0.833557 Mg\n0.666893 0.133081 0.833572 Mg\n0.466188 0.133082 0.833572 Mg\n0.866918 0.333106 0.833572 Mg\n0.466188 0.333107 0.833572 Mg\n0.866918 0.533812 0.833572 Mg\n0.666893 0.533812 0.833572 Mg\n0.666667 0.333333 0.833612 Mg\n0.265918 0.332408 0.833779 Mg\n0.066489 0.332408 0.833779 Mg\n0.066489 0.734081 0.833779 Mg\n0.667592 0.734081 0.833779 Mg\n0.667592 0.933511 0.833779 Mg\n0.265918 0.933511 0.833779 Mg\n0.065231 0.130461 0.837053 Mg\n0.065231 0.934769 0.837053 Mg\n0.869539 0.934769 0.837053 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"H",
"Mg"
],
"chemical_system": "H-Mg",
"density": 1.760876883563205,
"density_atomic": 0.043910501943659565,
"volume": 3416.0392926608115,
"volume_molar": 13.714579641396162,
"formula_full": "Mg149 H1",
"formula_reduced": "Mg149H",
"formula_anonymous": "AB149",
"formation_energy": 0.0127728192132133,
"spacegroup": 187
},
{
"id": "oqmd-31793",
"created_at": "2022-09-04T14:49:02.770856Z",
"updated_at": "2022-09-04T14:49:02.770876Z",
"structure_string": "Yb1 Mg149\n1.0\n13.815268 -7.976252 0.000000\n0.000000 15.952504 0.000000\n0.000000 0.000000 15.653523\nMg Yb\n149 1\ndirect\n0.600093 0.200187 0.000000 Mg\n0.400815 0.200407 0.000000 Mg\n0.799593 0.200408 0.000000 Mg\n0.002588 0.206483 0.000000 Mg\n0.203895 0.206483 0.000000 Mg\n0.600093 0.399906 0.000000 Mg\n0.799813 0.399906 0.000000 Mg\n0.000308 0.401107 0.000000 Mg\n0.400799 0.401107 0.000000 Mg\n0.201594 0.403187 0.000000 Mg\n0.799593 0.599185 0.000000 Mg\n0.000308 0.599200 0.000000 Mg\n0.598892 0.599200 0.000000 Mg\n0.399690 0.600309 0.000000 Mg\n0.200619 0.600309 0.000000 Mg\n0.002588 0.796105 0.000000 Mg\n0.793517 0.796105 0.000000 Mg\n0.596814 0.798407 0.000000 Mg\n0.201594 0.798407 0.000000 Mg\n0.399690 0.799381 0.000000 Mg\n0.203895 0.997413 0.000000 Mg\n0.793517 0.997413 0.000000 Mg\n0.400799 0.999692 0.000000 Mg\n0.598892 0.999692 0.000000 Mg\n0.263816 0.131908 0.165013 Mg\n0.868092 0.131908 0.165013 Mg\n0.868092 0.736184 0.165013 Mg\n0.666667 0.333333 0.166294 Mg\n0.465786 0.132939 0.166513 Mg\n0.667153 0.132939 0.166513 Mg\n0.867061 0.332847 0.166513 Mg\n0.465786 0.332847 0.166513 Mg\n0.667153 0.534214 0.166513 Mg\n0.867061 0.534214 0.166513 Mg\n0.466683 0.533316 0.167360 Mg\n0.066634 0.533317 0.167360 Mg\n0.466683 0.933366 0.167360 Mg\n0.267076 0.534153 0.167383 Mg\n0.267076 0.732923 0.167383 Mg\n0.465847 0.732923 0.167383 Mg\n0.267916 0.335581 0.167691 Mg\n0.067666 0.335582 0.167691 Mg\n0.067666 0.732084 0.167691 Mg\n0.664419 0.732084 0.167691 Mg\n0.267916 0.932334 0.167691 Mg\n0.664419 0.932334 0.167691 Mg\n0.068356 0.136713 0.170824 Mg\n0.863288 0.931644 0.170824 Mg\n0.068356 0.931644 0.170824 Mg\n0.800059 0.199941 0.332838 Mg\n0.399881 0.199941 0.332838 Mg\n0.800059 0.600118 0.332838 Mg\n0.600083 0.200166 0.332987 Mg\n0.799833 0.399917 0.332987 Mg\n0.600083 0.399917 0.332987 Mg\n0.599758 0.000231 0.333780 Mg\n0.400473 0.000231 0.333780 Mg\n0.400473 0.400242 0.333780 Mg\n0.999770 0.400242 0.333780 Mg\n0.599758 0.599527 0.333780 Mg\n0.999770 0.599528 0.333780 Mg\n0.400018 0.599982 0.333790 Mg\n0.199965 0.599982 0.333790 Mg\n0.400018 0.800035 0.333790 Mg\n0.200226 0.400453 0.334001 Mg\n0.599548 0.799774 0.334001 Mg\n0.200226 0.799774 0.334001 Mg\n0.799366 0.000145 0.334091 Mg\n0.200779 0.000145 0.334091 Mg\n0.200779 0.200634 0.334091 Mg\n0.999855 0.200634 0.334091 Mg\n0.799366 0.799221 0.334091 Mg\n0.999855 0.799221 0.334091 Mg\n0.000000 0.000000 0.334099 Mg\n0.066746 0.133492 0.500000 Mg\n0.267117 0.133558 0.500000 Mg\n0.866441 0.133559 0.500000 Mg\n0.666942 0.133959 0.500000 Mg\n0.467017 0.133959 0.500000 Mg\n0.467017 0.333058 0.500000 Mg\n0.866041 0.333058 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066817 0.333734 0.500000 Mg\n0.266918 0.333735 0.500000 Mg\n0.866041 0.532983 0.500000 Mg\n0.666942 0.532983 0.500000 Mg\n0.466748 0.533252 0.500000 Mg\n0.066504 0.533252 0.500000 Mg\n0.266806 0.533613 0.500000 Mg\n0.866441 0.732883 0.500000 Mg\n0.066817 0.733082 0.500000 Mg\n0.666266 0.733083 0.500000 Mg\n0.466387 0.733193 0.500000 Mg\n0.266806 0.733194 0.500000 Mg\n0.266918 0.933183 0.500000 Mg\n0.666266 0.933184 0.500000 Mg\n0.066746 0.933254 0.500000 Mg\n0.866508 0.933254 0.500000 Mg\n0.466748 0.933496 0.500000 Mg\n0.000000 0.000000 0.665901 Mg\n0.799366 0.000145 0.665909 Mg\n0.200779 0.000145 0.665909 Mg\n0.200779 0.200634 0.665909 Mg\n0.999855 0.200634 0.665909 Mg\n0.799366 0.799221 0.665909 Mg\n0.999855 0.799221 0.665909 Mg\n0.200226 0.400453 0.665999 Mg\n0.599548 0.799774 0.665999 Mg\n0.200226 0.799774 0.665999 Mg\n0.400018 0.599982 0.666210 Mg\n0.199965 0.599982 0.666210 Mg\n0.400018 0.800035 0.666210 Mg\n0.599758 0.000231 0.666220 Mg\n0.400473 0.000231 0.666220 Mg\n0.400473 0.400242 0.666220 Mg\n0.999770 0.400242 0.666220 Mg\n0.599758 0.599527 0.666220 Mg\n0.999770 0.599528 0.666220 Mg\n0.600083 0.200166 0.667013 Mg\n0.799833 0.399917 0.667013 Mg\n0.600083 0.399917 0.667013 Mg\n0.800059 0.199941 0.667162 Mg\n0.399881 0.199941 0.667162 Mg\n0.800059 0.600118 0.667162 Mg\n0.068356 0.136713 0.829177 Mg\n0.863288 0.931644 0.829177 Mg\n0.068356 0.931644 0.829177 Mg\n0.267916 0.335581 0.832308 Mg\n0.067666 0.335582 0.832308 Mg\n0.067666 0.732084 0.832308 Mg\n0.664419 0.732084 0.832308 Mg\n0.267916 0.932334 0.832308 Mg\n0.664419 0.932334 0.832308 Mg\n0.267076 0.534153 0.832617 Mg\n0.267076 0.732923 0.832617 Mg\n0.465847 0.732923 0.832617 Mg\n0.466683 0.533316 0.832639 Mg\n0.066634 0.533317 0.832639 Mg\n0.466683 0.933366 0.832639 Mg\n0.465786 0.132939 0.833487 Mg\n0.667153 0.132939 0.833487 Mg\n0.867061 0.332847 0.833487 Mg\n0.465786 0.332847 0.833487 Mg\n0.667153 0.534214 0.833487 Mg\n0.867061 0.534214 0.833487 Mg\n0.666667 0.333333 0.833706 Mg\n0.263816 0.131908 0.834987 Mg\n0.868092 0.131908 0.834987 Mg\n0.868092 0.736184 0.834987 Mg\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Yb"
],
"chemical_system": "Mg-Yb",
"density": 1.826424254226045,
"density_atomic": 0.04348014533024224,
"volume": 3449.8504745261002,
"volume_molar": 13.850323439032648,
"formula_full": "Yb1 Mg149",
"formula_reduced": "YbMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0014718816277744,
"spacegroup": 187
},
{
"id": "oqmd-31749",
"created_at": "2022-09-04T14:49:03.552829Z",
"updated_at": "2022-09-04T14:49:03.552851Z",
"structure_string": "Lu1 Mg149\n1.0\n13.808322 -7.972242 0.000000\n0.000000 15.944483 0.000000\n0.000000 0.000000 15.625786\nLu Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Lu\n0.599892 0.199783 0.000000 Mg\n0.400794 0.200397 0.000000 Mg\n0.799603 0.200397 0.000000 Mg\n0.200538 0.202990 0.000000 Mg\n0.002451 0.202990 0.000000 Mg\n0.000125 0.399829 0.000000 Mg\n0.399705 0.399829 0.000000 Mg\n0.800217 0.400108 0.000000 Mg\n0.599892 0.400108 0.000000 Mg\n0.201244 0.402487 0.000000 Mg\n0.799603 0.599206 0.000000 Mg\n0.200322 0.600161 0.000000 Mg\n0.399839 0.600161 0.000000 Mg\n0.000125 0.600296 0.000000 Mg\n0.600171 0.600296 0.000000 Mg\n0.201244 0.798756 0.000000 Mg\n0.597513 0.798756 0.000000 Mg\n0.002451 0.799461 0.000000 Mg\n0.797010 0.799461 0.000000 Mg\n0.399839 0.799678 0.000000 Mg\n0.200538 0.997548 0.000000 Mg\n0.797010 0.997549 0.000000 Mg\n0.600171 0.999875 0.000000 Mg\n0.399705 0.999876 0.000000 Mg\n0.867939 0.132061 0.165029 Mg\n0.264123 0.132061 0.165029 Mg\n0.867939 0.735878 0.165029 Mg\n0.666667 0.333333 0.166299 Mg\n0.667221 0.132874 0.166513 Mg\n0.465653 0.132874 0.166513 Mg\n0.465653 0.332779 0.166513 Mg\n0.867126 0.332779 0.166513 Mg\n0.667221 0.534347 0.166513 Mg\n0.867126 0.534347 0.166513 Mg\n0.066592 0.533296 0.167140 Mg\n0.466704 0.533297 0.167140 Mg\n0.466704 0.933407 0.167140 Mg\n0.267056 0.534113 0.167363 Mg\n0.465887 0.732944 0.167363 Mg\n0.267056 0.732944 0.167363 Mg\n0.067711 0.335248 0.167477 Mg\n0.267537 0.335248 0.167477 Mg\n0.067711 0.732463 0.167477 Mg\n0.664752 0.732463 0.167477 Mg\n0.664752 0.932289 0.167477 Mg\n0.267537 0.932289 0.167477 Mg\n0.067204 0.134408 0.168136 Mg\n0.865592 0.932796 0.168136 Mg\n0.067204 0.932796 0.168136 Mg\n0.600058 0.200116 0.332959 Mg\n0.600058 0.399942 0.332959 Mg\n0.799884 0.399942 0.332959 Mg\n0.800077 0.199923 0.332961 Mg\n0.399846 0.199923 0.332961 Mg\n0.800077 0.600154 0.332961 Mg\n0.000000 0.200306 0.333282 Mg\n0.200284 0.200306 0.333282 Mg\n0.000000 0.799716 0.333282 Mg\n0.799694 0.799716 0.333282 Mg\n0.200284 0.000000 0.333282 Mg\n0.799694 0.000000 0.333282 Mg\n0.599874 0.000197 0.333656 Mg\n0.400322 0.000197 0.333656 Mg\n0.999803 0.400125 0.333656 Mg\n0.400322 0.400126 0.333656 Mg\n0.999803 0.599678 0.333656 Mg\n0.599874 0.599678 0.333656 Mg\n0.199992 0.599996 0.333832 Mg\n0.400004 0.599997 0.333832 Mg\n0.400004 0.800008 0.333832 Mg\n0.200262 0.400524 0.334042 Mg\n0.200262 0.799738 0.334042 Mg\n0.599476 0.799738 0.334042 Mg\n0.000000 0.000000 0.334402 Mg\n0.866549 0.133451 0.500000 Mg\n0.266901 0.133451 0.500000 Mg\n0.066782 0.133564 0.500000 Mg\n0.467080 0.134081 0.500000 Mg\n0.667001 0.134081 0.500000 Mg\n0.467080 0.332999 0.500000 Mg\n0.865919 0.332999 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266862 0.333533 0.500000 Mg\n0.066671 0.333533 0.500000 Mg\n0.667001 0.532920 0.500000 Mg\n0.865919 0.532920 0.500000 Mg\n0.066309 0.533154 0.500000 Mg\n0.466846 0.533154 0.500000 Mg\n0.266735 0.533470 0.500000 Mg\n0.866549 0.733099 0.500000 Mg\n0.666467 0.733137 0.500000 Mg\n0.066671 0.733138 0.500000 Mg\n0.466530 0.733265 0.500000 Mg\n0.266735 0.733265 0.500000 Mg\n0.866435 0.933218 0.500000 Mg\n0.066782 0.933218 0.500000 Mg\n0.266862 0.933329 0.500000 Mg\n0.666467 0.933329 0.500000 Mg\n0.466846 0.933692 0.500000 Mg\n0.000000 0.000000 0.665597 Mg\n0.200262 0.400524 0.665958 Mg\n0.200262 0.799738 0.665958 Mg\n0.599476 0.799738 0.665958 Mg\n0.199992 0.599996 0.666169 Mg\n0.400004 0.599997 0.666169 Mg\n0.400004 0.800008 0.666169 Mg\n0.599874 0.000197 0.666345 Mg\n0.400322 0.000197 0.666345 Mg\n0.999803 0.400125 0.666345 Mg\n0.400322 0.400126 0.666345 Mg\n0.999803 0.599678 0.666345 Mg\n0.599874 0.599678 0.666345 Mg\n0.000000 0.200306 0.666718 Mg\n0.200284 0.200306 0.666718 Mg\n0.000000 0.799716 0.666718 Mg\n0.799694 0.799716 0.666718 Mg\n0.200284 0.000000 0.666718 Mg\n0.799694 0.000000 0.666718 Mg\n0.800077 0.199923 0.667039 Mg\n0.399846 0.199923 0.667039 Mg\n0.800077 0.600154 0.667039 Mg\n0.600058 0.200116 0.667040 Mg\n0.600058 0.399942 0.667040 Mg\n0.799884 0.399942 0.667040 Mg\n0.067204 0.134408 0.831864 Mg\n0.865592 0.932796 0.831864 Mg\n0.067204 0.932796 0.831864 Mg\n0.067711 0.335248 0.832523 Mg\n0.267537 0.335248 0.832523 Mg\n0.067711 0.732463 0.832523 Mg\n0.664752 0.732463 0.832523 Mg\n0.664752 0.932289 0.832523 Mg\n0.267537 0.932289 0.832523 Mg\n0.267056 0.534113 0.832637 Mg\n0.465887 0.732944 0.832637 Mg\n0.267056 0.732944 0.832637 Mg\n0.066592 0.533296 0.832860 Mg\n0.466704 0.533297 0.832860 Mg\n0.466704 0.933407 0.832860 Mg\n0.667221 0.132874 0.833487 Mg\n0.465653 0.132874 0.833487 Mg\n0.465653 0.332779 0.833487 Mg\n0.867126 0.332779 0.833487 Mg\n0.667221 0.534347 0.833487 Mg\n0.867126 0.534347 0.833487 Mg\n0.666667 0.333333 0.833701 Mg\n0.867939 0.132061 0.834970 Mg\n0.264123 0.132061 0.834970 Mg\n0.867939 0.735878 0.834970 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Lu",
"Mg"
],
"chemical_system": "Lu-Mg",
"density": 1.8324376863651188,
"density_atomic": 0.04360115953576565,
"volume": 3440.2754788426287,
"volume_molar": 13.81188212451114,
"formula_full": "Lu1 Mg149",
"formula_reduced": "LuMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0007052689277744,
"spacegroup": 187
},
{
"id": "oqmd-31776",
"created_at": "2022-09-04T14:49:03.239139Z",
"updated_at": "2022-09-04T14:49:03.239162Z",
"structure_string": "Mg149 Se1\n1.0\n13.787064 -7.959968 0.000000\n0.000000 15.919937 0.000000\n0.000000 0.000000 15.617647\nMg Se\n149 1\ndirect\n0.801014 0.001493 0.000000 Mg\n0.200479 0.001494 0.000000 Mg\n0.998506 0.198986 0.000000 Mg\n0.200479 0.198986 0.000000 Mg\n0.800191 0.199808 0.000000 Mg\n0.399617 0.199809 0.000000 Mg\n0.600146 0.200291 0.000000 Mg\n0.199107 0.398214 0.000000 Mg\n0.799709 0.399855 0.000000 Mg\n0.600146 0.399855 0.000000 Mg\n0.400411 0.400812 0.000000 Mg\n0.000401 0.400812 0.000000 Mg\n0.599188 0.599589 0.000000 Mg\n0.000401 0.599589 0.000000 Mg\n0.399916 0.600083 0.000000 Mg\n0.200167 0.600084 0.000000 Mg\n0.800191 0.600383 0.000000 Mg\n0.801014 0.799520 0.000000 Mg\n0.998506 0.799521 0.000000 Mg\n0.399916 0.799833 0.000000 Mg\n0.199107 0.800893 0.000000 Mg\n0.601786 0.800893 0.000000 Mg\n0.400411 0.999599 0.000000 Mg\n0.599188 0.999599 0.000000 Mg\n0.066066 0.332126 0.166128 Mg\n0.266061 0.332127 0.166128 Mg\n0.667873 0.733939 0.166128 Mg\n0.066066 0.733939 0.166128 Mg\n0.667873 0.933934 0.166128 Mg\n0.266061 0.933934 0.166128 Mg\n0.266324 0.532649 0.166130 Mg\n0.266324 0.733675 0.166130 Mg\n0.467351 0.733676 0.166130 Mg\n0.666667 0.333333 0.166179 Mg\n0.666746 0.133195 0.166224 Mg\n0.466449 0.133195 0.166224 Mg\n0.866805 0.333254 0.166224 Mg\n0.466449 0.333254 0.166224 Mg\n0.866805 0.533551 0.166224 Mg\n0.666746 0.533551 0.166224 Mg\n0.466621 0.533379 0.166540 Mg\n0.066758 0.533379 0.166540 Mg\n0.466621 0.933242 0.166540 Mg\n0.066380 0.132761 0.166687 Mg\n0.867239 0.933620 0.166687 Mg\n0.066380 0.933620 0.166687 Mg\n0.266353 0.133177 0.167121 Mg\n0.866823 0.133177 0.167121 Mg\n0.866823 0.733647 0.167121 Mg\n0.000000 0.000000 0.331465 Mg\n0.199790 0.399581 0.332735 Mg\n0.600419 0.800209 0.332735 Mg\n0.199790 0.800209 0.332735 Mg\n0.399771 0.199886 0.332986 Mg\n0.800115 0.199886 0.332986 Mg\n0.800115 0.600229 0.332986 Mg\n0.599996 0.199993 0.333023 Mg\n0.599996 0.400003 0.333023 Mg\n0.800006 0.400003 0.333023 Mg\n0.200029 0.600014 0.333099 Mg\n0.399986 0.600015 0.333099 Mg\n0.399986 0.799971 0.333099 Mg\n0.399869 0.399901 0.333109 Mg\n0.000000 0.399902 0.333109 Mg\n0.600099 0.600131 0.333109 Mg\n0.000000 0.600131 0.333109 Mg\n0.399869 0.000000 0.333109 Mg\n0.600099 0.000000 0.333109 Mg\n0.199858 0.199953 0.333648 Mg\n0.000000 0.199953 0.333648 Mg\n0.000000 0.800142 0.333648 Mg\n0.800047 0.800142 0.333648 Mg\n0.199858 0.000000 0.333648 Mg\n0.800047 0.000000 0.333648 Mg\n0.066506 0.133011 0.500000 Mg\n0.866646 0.133353 0.500000 Mg\n0.266707 0.133354 0.500000 Mg\n0.666607 0.133380 0.500000 Mg\n0.466773 0.133380 0.500000 Mg\n0.266540 0.333219 0.500000 Mg\n0.066679 0.333220 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866620 0.333393 0.500000 Mg\n0.466773 0.333393 0.500000 Mg\n0.866620 0.533227 0.500000 Mg\n0.666607 0.533227 0.500000 Mg\n0.266705 0.533410 0.500000 Mg\n0.066855 0.533428 0.500000 Mg\n0.466572 0.533428 0.500000 Mg\n0.866646 0.733293 0.500000 Mg\n0.466590 0.733295 0.500000 Mg\n0.266705 0.733295 0.500000 Mg\n0.066679 0.733459 0.500000 Mg\n0.666780 0.733459 0.500000 Mg\n0.466572 0.933144 0.500000 Mg\n0.266540 0.933320 0.500000 Mg\n0.666780 0.933321 0.500000 Mg\n0.066506 0.933494 0.500000 Mg\n0.866988 0.933494 0.500000 Mg\n0.199858 0.199953 0.666351 Mg\n0.000000 0.199953 0.666351 Mg\n0.000000 0.800142 0.666351 Mg\n0.800047 0.800142 0.666351 Mg\n0.199858 0.000000 0.666351 Mg\n0.800047 0.000000 0.666351 Mg\n0.399869 0.399901 0.666890 Mg\n0.000000 0.399902 0.666890 Mg\n0.600099 0.600131 0.666890 Mg\n0.000000 0.600131 0.666890 Mg\n0.399869 0.000000 0.666890 Mg\n0.600099 0.000000 0.666890 Mg\n0.200029 0.600014 0.666901 Mg\n0.399986 0.600015 0.666901 Mg\n0.399986 0.799971 0.666901 Mg\n0.599996 0.199993 0.666977 Mg\n0.599996 0.400003 0.666977 Mg\n0.800006 0.400003 0.666977 Mg\n0.399771 0.199886 0.667014 Mg\n0.800115 0.199886 0.667014 Mg\n0.800115 0.600229 0.667014 Mg\n0.199790 0.399581 0.667265 Mg\n0.600419 0.800209 0.667265 Mg\n0.199790 0.800209 0.667265 Mg\n0.000000 0.000000 0.668534 Mg\n0.266353 0.133177 0.832879 Mg\n0.866823 0.133177 0.832879 Mg\n0.866823 0.733647 0.832879 Mg\n0.066380 0.132761 0.833313 Mg\n0.867239 0.933620 0.833313 Mg\n0.066380 0.933620 0.833313 Mg\n0.466621 0.533379 0.833459 Mg\n0.066758 0.533379 0.833459 Mg\n0.466621 0.933242 0.833459 Mg\n0.666746 0.133195 0.833776 Mg\n0.466449 0.133195 0.833776 Mg\n0.866805 0.333254 0.833776 Mg\n0.466449 0.333254 0.833776 Mg\n0.866805 0.533551 0.833776 Mg\n0.666746 0.533551 0.833776 Mg\n0.666667 0.333333 0.833822 Mg\n0.266324 0.532649 0.833870 Mg\n0.266324 0.733675 0.833870 Mg\n0.467351 0.733676 0.833870 Mg\n0.066066 0.332126 0.833872 Mg\n0.266061 0.332127 0.833872 Mg\n0.667873 0.733939 0.833872 Mg\n0.066066 0.733939 0.833872 Mg\n0.667873 0.933934 0.833872 Mg\n0.266061 0.933934 0.833872 Mg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 1.792543145929069,
"density_atomic": 0.043758509461350494,
"volume": 3427.904694342636,
"volume_molar": 13.762216387464086,
"formula_full": "Mg149 Se1",
"formula_reduced": "Mg149Se",
"formula_anonymous": "AB149",
"formation_energy": -0.0054033689722255,
"spacegroup": 187
},
{
"id": "oqmd-31757",
"created_at": "2022-09-04T14:49:03.330498Z",
"updated_at": "2022-09-04T14:49:03.330526Z",
"structure_string": "Mg149 Ni1\n1.0\n13.766870 -7.948309 0.000000\n0.000000 15.896619 0.000000\n0.000000 0.000000 15.563373\nMg Ni\n149 1\ndirect\n0.601949 0.000156 0.000000 Mg\n0.398207 0.000157 0.000000 Mg\n0.809594 0.001812 0.000000 Mg\n0.192219 0.001813 0.000000 Mg\n0.192219 0.190406 0.000000 Mg\n0.998188 0.190407 0.000000 Mg\n0.801043 0.198957 0.000000 Mg\n0.397914 0.198957 0.000000 Mg\n0.599839 0.199678 0.000000 Mg\n0.198326 0.396652 0.000000 Mg\n0.999843 0.398050 0.000000 Mg\n0.398207 0.398050 0.000000 Mg\n0.800321 0.400161 0.000000 Mg\n0.599839 0.400161 0.000000 Mg\n0.199666 0.599833 0.000000 Mg\n0.400167 0.599833 0.000000 Mg\n0.999843 0.601792 0.000000 Mg\n0.601949 0.601792 0.000000 Mg\n0.801043 0.602087 0.000000 Mg\n0.400167 0.800334 0.000000 Mg\n0.198326 0.801674 0.000000 Mg\n0.603348 0.801674 0.000000 Mg\n0.998188 0.807781 0.000000 Mg\n0.809594 0.807781 0.000000 Mg\n0.063650 0.127299 0.158980 Mg\n0.063650 0.936350 0.158980 Mg\n0.872700 0.936350 0.158980 Mg\n0.065827 0.330737 0.165404 Mg\n0.264911 0.330738 0.165404 Mg\n0.669263 0.735090 0.165404 Mg\n0.065827 0.735090 0.165404 Mg\n0.669263 0.934173 0.165404 Mg\n0.264911 0.934174 0.165404 Mg\n0.466717 0.533283 0.166006 Mg\n0.066566 0.533283 0.166006 Mg\n0.466717 0.933434 0.166006 Mg\n0.266230 0.532460 0.166015 Mg\n0.266230 0.733770 0.166015 Mg\n0.467541 0.733770 0.166015 Mg\n0.467002 0.133540 0.166588 Mg\n0.666538 0.133540 0.166588 Mg\n0.467002 0.333462 0.166588 Mg\n0.866460 0.333462 0.166588 Mg\n0.666538 0.532998 0.166588 Mg\n0.866460 0.532998 0.166588 Mg\n0.666666 0.333333 0.166640 Mg\n0.865970 0.134030 0.167109 Mg\n0.268059 0.134030 0.167109 Mg\n0.865970 0.731940 0.167109 Mg\n0.000000 0.000000 0.330975 Mg\n0.198668 0.199100 0.331665 Mg\n0.000432 0.199101 0.331665 Mg\n0.000432 0.801332 0.331665 Mg\n0.800900 0.801332 0.331665 Mg\n0.198668 0.999567 0.331665 Mg\n0.800900 0.999568 0.331665 Mg\n0.000213 0.399645 0.332705 Mg\n0.399433 0.399646 0.332705 Mg\n0.600354 0.600566 0.332705 Mg\n0.000213 0.600567 0.332705 Mg\n0.399433 0.999787 0.332705 Mg\n0.600354 0.999787 0.332705 Mg\n0.199835 0.399669 0.332797 Mg\n0.199835 0.800165 0.332797 Mg\n0.600330 0.800165 0.332797 Mg\n0.200013 0.600006 0.333029 Mg\n0.399994 0.600007 0.333029 Mg\n0.399994 0.799987 0.333029 Mg\n0.599921 0.199840 0.333358 Mg\n0.800159 0.400080 0.333358 Mg\n0.599921 0.400080 0.333358 Mg\n0.800104 0.199896 0.333586 Mg\n0.399792 0.199896 0.333586 Mg\n0.800104 0.600208 0.333586 Mg\n0.066454 0.132909 0.500000 Mg\n0.866959 0.133041 0.500000 Mg\n0.266082 0.133041 0.500000 Mg\n0.466505 0.133155 0.500000 Mg\n0.666650 0.133156 0.500000 Mg\n0.266330 0.332655 0.500000 Mg\n0.066325 0.332655 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866845 0.333350 0.500000 Mg\n0.466505 0.333350 0.500000 Mg\n0.266485 0.532969 0.500000 Mg\n0.066502 0.533251 0.500000 Mg\n0.466749 0.533251 0.500000 Mg\n0.666650 0.533495 0.500000 Mg\n0.866845 0.533495 0.500000 Mg\n0.266485 0.733515 0.500000 Mg\n0.467031 0.733515 0.500000 Mg\n0.066325 0.733670 0.500000 Mg\n0.667345 0.733670 0.500000 Mg\n0.866959 0.733918 0.500000 Mg\n0.466749 0.933497 0.500000 Mg\n0.867091 0.933546 0.500000 Mg\n0.066454 0.933546 0.500000 Mg\n0.266330 0.933675 0.500000 Mg\n0.667345 0.933675 0.500000 Mg\n0.800104 0.199896 0.666413 Mg\n0.399792 0.199896 0.666413 Mg\n0.800104 0.600208 0.666413 Mg\n0.599921 0.199840 0.666641 Mg\n0.800159 0.400080 0.666641 Mg\n0.599921 0.400080 0.666641 Mg\n0.200013 0.600006 0.666970 Mg\n0.399994 0.600007 0.666970 Mg\n0.399994 0.799987 0.666970 Mg\n0.199835 0.399669 0.667203 Mg\n0.199835 0.800165 0.667203 Mg\n0.600330 0.800165 0.667203 Mg\n0.000213 0.399645 0.667295 Mg\n0.399433 0.399646 0.667295 Mg\n0.600354 0.600566 0.667295 Mg\n0.000213 0.600567 0.667295 Mg\n0.399433 0.999787 0.667295 Mg\n0.600354 0.999787 0.667295 Mg\n0.198668 0.199100 0.668335 Mg\n0.000432 0.199101 0.668335 Mg\n0.000432 0.801332 0.668335 Mg\n0.800900 0.801332 0.668335 Mg\n0.198668 0.999567 0.668335 Mg\n0.800900 0.999568 0.668335 Mg\n0.000000 0.000000 0.669025 Mg\n0.865970 0.134030 0.832891 Mg\n0.268059 0.134030 0.832891 Mg\n0.865970 0.731940 0.832891 Mg\n0.666666 0.333333 0.833360 Mg\n0.467002 0.133540 0.833412 Mg\n0.666538 0.133540 0.833412 Mg\n0.467002 0.333462 0.833412 Mg\n0.866460 0.333462 0.833412 Mg\n0.666538 0.532998 0.833412 Mg\n0.866460 0.532998 0.833412 Mg\n0.266230 0.532460 0.833984 Mg\n0.266230 0.733770 0.833984 Mg\n0.467541 0.733770 0.833984 Mg\n0.466717 0.533283 0.833994 Mg\n0.066566 0.533283 0.833994 Mg\n0.466717 0.933434 0.833994 Mg\n0.065827 0.330737 0.834596 Mg\n0.264911 0.330738 0.834596 Mg\n0.669263 0.735090 0.834596 Mg\n0.065827 0.735090 0.834596 Mg\n0.669263 0.934173 0.834596 Mg\n0.264911 0.934174 0.834596 Mg\n0.063650 0.127299 0.841020 Mg\n0.063650 0.936350 0.841020 Mg\n0.872700 0.936350 0.841020 Mg\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 1.7941946035356902,
"density_atomic": 0.044040024922941456,
"volume": 3405.992622902935,
"volume_molar": 13.674244668428717,
"formula_full": "Mg149 Ni1",
"formula_reduced": "Mg149Ni",
"formula_anonymous": "AB149",
"formation_energy": 0.0011104992277743,
"spacegroup": 187
},
{
"id": "oqmd-31744",
"created_at": "2022-09-04T14:49:02.945631Z",
"updated_at": "2022-09-04T14:49:02.945661Z",
"structure_string": "Mg149 In1\n1.0\n13.776754 -7.954017 0.000000\n0.000000 15.908033 0.000000\n0.000000 0.000000 15.644349\nIn Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 In\n0.800027 0.000630 0.000000 Mg\n0.200602 0.000630 0.000000 Mg\n0.999370 0.199972 0.000000 Mg\n0.200602 0.199972 0.000000 Mg\n0.800016 0.199984 0.000000 Mg\n0.399967 0.199984 0.000000 Mg\n0.600035 0.200071 0.000000 Mg\n0.199672 0.399344 0.000000 Mg\n0.600035 0.399965 0.000000 Mg\n0.799929 0.399965 0.000000 Mg\n0.000000 0.400262 0.000000 Mg\n0.400180 0.400262 0.000000 Mg\n0.000000 0.599820 0.000000 Mg\n0.599739 0.599820 0.000000 Mg\n0.400021 0.599979 0.000000 Mg\n0.199959 0.599980 0.000000 Mg\n0.800016 0.600033 0.000000 Mg\n0.999370 0.799397 0.000000 Mg\n0.800027 0.799397 0.000000 Mg\n0.400021 0.800042 0.000000 Mg\n0.199672 0.800328 0.000000 Mg\n0.600656 0.800328 0.000000 Mg\n0.400180 0.000000 0.000000 Mg\n0.599739 0.000000 0.000000 Mg\n0.066461 0.332891 0.166534 Mg\n0.266431 0.332892 0.166534 Mg\n0.066461 0.733569 0.166534 Mg\n0.667109 0.733569 0.166534 Mg\n0.266431 0.933540 0.166534 Mg\n0.667109 0.933540 0.166534 Mg\n0.666576 0.133338 0.166591 Mg\n0.466762 0.133338 0.166591 Mg\n0.466762 0.333423 0.166591 Mg\n0.866662 0.333424 0.166591 Mg\n0.866662 0.533238 0.166591 Mg\n0.666576 0.533239 0.166591 Mg\n0.666666 0.333333 0.166629 Mg\n0.466621 0.533380 0.166691 Mg\n0.066759 0.533380 0.166691 Mg\n0.466621 0.933242 0.166691 Mg\n0.266572 0.533144 0.166693 Mg\n0.266572 0.733428 0.166693 Mg\n0.466855 0.733428 0.166693 Mg\n0.066742 0.133484 0.167160 Mg\n0.866516 0.933258 0.167160 Mg\n0.066742 0.933259 0.167160 Mg\n0.267161 0.133580 0.167173 Mg\n0.866420 0.133581 0.167173 Mg\n0.866420 0.732839 0.167173 Mg\n0.199895 0.399791 0.333194 Mg\n0.199895 0.800105 0.333194 Mg\n0.600209 0.800105 0.333194 Mg\n0.600013 0.200026 0.333247 Mg\n0.600013 0.399987 0.333247 Mg\n0.799974 0.399987 0.333247 Mg\n0.600131 0.000000 0.333258 Mg\n0.399921 0.000000 0.333258 Mg\n0.000000 0.399868 0.333258 Mg\n0.399921 0.399869 0.333258 Mg\n0.600131 0.600079 0.333258 Mg\n0.000000 0.600079 0.333258 Mg\n0.000000 0.000000 0.333296 Mg\n0.799982 0.200018 0.333320 Mg\n0.400037 0.200018 0.333320 Mg\n0.799982 0.599963 0.333320 Mg\n0.400005 0.599995 0.333395 Mg\n0.199990 0.599995 0.333395 Mg\n0.400005 0.800010 0.333395 Mg\n0.800072 0.000000 0.333545 Mg\n0.199948 0.000000 0.333545 Mg\n0.000000 0.199927 0.333545 Mg\n0.199948 0.199928 0.333545 Mg\n0.000000 0.800052 0.333545 Mg\n0.800072 0.800053 0.333545 Mg\n0.066614 0.133227 0.500000 Mg\n0.866668 0.133331 0.500000 Mg\n0.266664 0.133332 0.500000 Mg\n0.466728 0.133342 0.500000 Mg\n0.666613 0.133342 0.500000 Mg\n0.066606 0.333276 0.500000 Mg\n0.266670 0.333276 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.466728 0.333387 0.500000 Mg\n0.866658 0.333387 0.500000 Mg\n0.666613 0.533272 0.500000 Mg\n0.866658 0.533272 0.500000 Mg\n0.466698 0.533302 0.500000 Mg\n0.066604 0.533302 0.500000 Mg\n0.266656 0.533312 0.500000 Mg\n0.666724 0.733330 0.500000 Mg\n0.066606 0.733330 0.500000 Mg\n0.866668 0.733336 0.500000 Mg\n0.266656 0.733344 0.500000 Mg\n0.466688 0.733344 0.500000 Mg\n0.066614 0.933387 0.500000 Mg\n0.866773 0.933387 0.500000 Mg\n0.666724 0.933394 0.500000 Mg\n0.266670 0.933394 0.500000 Mg\n0.466698 0.933396 0.500000 Mg\n0.800072 0.000000 0.666455 Mg\n0.199948 0.000000 0.666455 Mg\n0.000000 0.199927 0.666455 Mg\n0.199948 0.199928 0.666455 Mg\n0.000000 0.800052 0.666455 Mg\n0.800072 0.800053 0.666455 Mg\n0.400005 0.599995 0.666604 Mg\n0.199990 0.599995 0.666604 Mg\n0.400005 0.800010 0.666604 Mg\n0.799982 0.200018 0.666680 Mg\n0.400037 0.200018 0.666680 Mg\n0.799982 0.599963 0.666680 Mg\n0.000000 0.000000 0.666704 Mg\n0.600131 0.000000 0.666742 Mg\n0.399921 0.000000 0.666742 Mg\n0.000000 0.399868 0.666742 Mg\n0.399921 0.399869 0.666742 Mg\n0.600131 0.600079 0.666742 Mg\n0.000000 0.600079 0.666742 Mg\n0.600013 0.200026 0.666753 Mg\n0.600013 0.399987 0.666753 Mg\n0.799974 0.399987 0.666753 Mg\n0.199895 0.399791 0.666806 Mg\n0.199895 0.800105 0.666806 Mg\n0.600209 0.800105 0.666806 Mg\n0.267161 0.133580 0.832827 Mg\n0.866420 0.133581 0.832827 Mg\n0.866420 0.732839 0.832827 Mg\n0.066742 0.133484 0.832840 Mg\n0.866516 0.933258 0.832840 Mg\n0.066742 0.933259 0.832840 Mg\n0.266572 0.533144 0.833307 Mg\n0.266572 0.733428 0.833307 Mg\n0.466855 0.733428 0.833307 Mg\n0.466621 0.533380 0.833309 Mg\n0.066759 0.533380 0.833309 Mg\n0.466621 0.933242 0.833309 Mg\n0.666666 0.333333 0.833371 Mg\n0.666576 0.133338 0.833410 Mg\n0.466762 0.133338 0.833410 Mg\n0.466762 0.333423 0.833410 Mg\n0.866662 0.333424 0.833410 Mg\n0.866662 0.533238 0.833410 Mg\n0.666576 0.533239 0.833410 Mg\n0.066461 0.332891 0.833466 Mg\n0.266431 0.332892 0.833466 Mg\n0.066461 0.733569 0.833466 Mg\n0.667109 0.733569 0.833466 Mg\n0.266431 0.933540 0.833466 Mg\n0.667109 0.933540 0.833466 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"In",
"Mg"
],
"chemical_system": "In-Mg",
"density": 1.8095294430092304,
"density_atomic": 0.04374922624129446,
"volume": 3428.6320670607997,
"volume_molar": 13.765136614726597,
"formula_full": "Mg149 In1",
"formula_reduced": "Mg149In",
"formula_anonymous": "AB149",
"formation_energy": -0.001580892305559,
"spacegroup": 187
}
]
}