{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=100","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=98","results":[{"id":"mp-647209","created_at":"2022-09-04T14:47:00.146137Z","structure_string":"Ga24 P24 O102\n1.0\n0.000000 12.223330 12.223330\n12.223330 0.000000 12.223330\n12.223330 12.223330 0.000000\nGa P O\n24 24 102\ndirect\n0.893028 0.106972 0.272865 Ga\n0.393028 0.772865 0.606972 Ga\n0.272865 0.727135 0.893028 Ga\n0.393028 0.227135 0.772865 Ga\n0.106972 0.272865 0.893028 Ga\n0.272865 0.106972 0.727135 Ga\n0.727135 0.272865 0.106972 Ga\n0.727135 0.893028 0.272865 Ga\n0.227135 0.606972 0.772865 Ga\n0.606972 0.227135 0.393028 Ga\n0.606972 0.772865 0.227135 Ga\n0.772865 0.606972 0.393028 Ga\n0.727135 0.106972 0.893028 Ga\n0.893028 0.727135 0.106972 Ga\n0.772865 0.227135 0.606972 Ga\n0.227135 0.393028 0.606972 Ga\n0.772865 0.393028 0.227135 Ga\n0.393028 0.606972 0.227135 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O\n0.502905 0.497095 0.798669 O\n0.450949 0.217654 0.653307 O\n0.701331 0.997095 0.298669 O\n0.950949 0.178090 0.153307 O\n0.153307 0.717654 0.950949 O\n0.855539 0.372802 0.627198 O\n0.321910 0.549051 0.346693 O\n0.153307 0.178090 0.717654 O\n0.750000 0.750000 0.250000 O\n0.144461 0.855539 0.627198 O\n0.798669 0.201331 0.502905 O\n0.178090 0.153307 0.950949 O\n0.355539 0.872802 0.644461 O\n0.497095 0.502905 0.201331 O\n0.201331 0.798669 0.497095 O\n0.250000 0.250000 0.750000 O\n0.002905 0.701331 0.298669 O\n0.627198 0.372802 0.144461 O\n0.549051 0.346693 0.321910 O\n0.282346 0.049051 0.846693 O\n0.250000 0.750000 0.750000 O\n0.701331 0.002905 0.997095 O\n0.782346 0.549051 0.321910 O\n0.821910 0.282346 0.846693 O\n0.217654 0.450949 0.678090 O\n0.678090 0.653307 0.217654 O\n0.644461 0.872802 0.127198 O\n0.282346 0.821910 0.049051 O\n0.282346 0.846693 0.821910 O\n0.144461 0.627198 0.372802 O\n0.653307 0.217654 0.678090 O\n0.644461 0.355539 0.872802 O\n0.346693 0.782346 0.321910 O\n0.144461 0.372802 0.855539 O\n0.355539 0.644461 0.127198 O\n0.644461 0.127198 0.355539 O\n0.201331 0.502905 0.798669 O\n0.250000 0.750000 0.250000 O\n0.627198 0.144461 0.855539 O\n0.372802 0.627198 0.855539 O\n0.750000 0.250000 0.250000 O\n0.346693 0.321910 0.549051 O\n0.502905 0.798669 0.201331 O\n0.798669 0.497095 0.201331 O\n0.717654 0.178090 0.950949 O\n0.678090 0.450949 0.653307 O\n0.217654 0.653307 0.450949 O\n0.872802 0.644461 0.355539 O\n0.678090 0.217654 0.450949 O\n0.846693 0.049051 0.821910 O\n0.346693 0.549051 0.782346 O\n0.201331 0.497095 0.502905 O\n0.002905 0.298669 0.997095 O\n0.855539 0.144461 0.372802 O\n0.782346 0.346693 0.549051 O\n0.750000 0.250000 0.750000 O\n0.127198 0.644461 0.872802 O\n0.997095 0.002905 0.298669 O\n0.450949 0.653307 0.678090 O\n0.049051 0.846693 0.282346 O\n0.701331 0.298669 0.002905 O\n0.872802 0.127198 0.644461 O\n0.717654 0.153307 0.178090 O\n0.217654 0.678090 0.653307 O\n0.846693 0.282346 0.049051 O\n0.855539 0.627198 0.144461 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0.750945 0.954635 Na\n0.205329 0.248355 0.546858 Na\n0.705932 0.456858 0.747812 Na\n0.795503 0.038679 0.249674 Na\n0.454428 0.704708 0.256999 Na\n0.046602 0.795650 0.747153 Na\n0.749719 0.295292 0.461708 Na\n0.250952 0.204350 0.042803 Na\n0.249074 0.543142 0.704670 Na\n0.756823 0.961321 0.788354 Na\n0.463286 0.241065 0.530983 Na\n0.230422 0.255791 0.275596 Na\n0.034181 0.508325 0.224274 Na\n0.268178 0.995080 0.971420 Na\n0.222221 0.758935 0.272047 Na\n0.974632 0.744209 0.031386 Na\n0.525856 0.491675 0.232599 Na\n0.273098 0.004920 0.466500 Na\n0.776356 0.534878 0.991125 Na\n0.028629 0.769898 0.505647 Na\n0.469013 0.963992 0.260656 Na\n0.724954 0.730536 0.244094 Na\n0.533261 0.772822 0.494589 Na\n0.772436 0.028272 0.004988 Na\n0.968407 0.474004 0.755753 Na\n0.732987 0.723952 0.738292 Na\n0.760439 0.227178 0.767411 Na\n0.744164 0.971728 0.533261 Na\n0.494402 0.525996 0.729757 Na\n0.009035 0.276048 0.962244 Na\n0.241478 0.465122 0.026003 Na\n0.258730 0.230102 0.775545 Na\n0.505021 0.036008 0.724648 Na\n0.994418 0.269464 0.474630 Na\n0.499647 0.153644 0.000235 Na\n0.650417 0.499717 0.500336 Na\n0.999797 0.999374 0.349617 Na\n0.346004 0.846356 0.653879 Na\n0.150700 0.500283 0.500053 Na\n0.000423 0.000626 0.848991 Na\n0.833837 0.333761 0.166254 Zn\n0.500076 0.666239 0.000016 Zn\n0.734894 0.248978 0.023259 S\n0.768924 0.749922 0.480742 S\n0.485916 0.751022 0.772237 S\n0.019001 0.250078 0.730665 S\n0.519625 0.269061 0.750112 S\n0.976926 0.235169 0.250948 S\n0.272402 0.523092 0.241583 S\n0.230667 0.980590 0.749968 S\n0.749310 0.476908 0.264675 S\n0.250078 0.019410 0.230558 S\n0.250564 0.730939 0.519173 S\n0.741757 0.764831 0.986117 S\n0.583182 0.083004 0.417193 S\n0.500010 0.419799 0.000265 S\n0.918490 0.499918 0.499583 S\n0.999373 0.999789 0.081900 S\n0.500178 0.916996 0.000197 S\n0.080211 0.580201 0.920064 S\n0.418572 0.500082 0.499501 S\n0.999583 0.000211 0.581689 S\n0.375411 0.250568 0.375268 Cl\n0.124843 0.749432 0.125835 Cl\n0.874505 0.624540 0.750953 Cl\n0.625032 0.876152 0.248790 Cl\n0.748880 0.123848 0.624942 Cl\n0.249965 0.375460 0.875493 Cl\n0.549165 0.112059 0.512815 O\n0.375152 0.392583 0.063911 O\n0.955014 0.438520 0.436081 O\n0.123547 0.060988 0.984328 O\n0.437106 0.887941 0.124874 O\n0.982569 0.607417 0.956494 O\n0.516495 0.561480 0.374601 O\n0.062559 0.939012 0.545316 O\n0.563838 0.455619 0.062071 O\n0.016204 0.623602 0.438543 O\n0.487715 0.049297 0.387429 O\n0.936058 0.875723 0.108054 O\n0.455050 0.563310 0.560978 O\n0.624759 0.012354 0.939074 O\n0.043872 0.482946 0.893039 O\n0.874509 0.937076 0.608629 O\n0.891741 0.436690 0.624288 O\n0.612405 0.987646 0.451428 O\n0.560926 0.517054 0.875986 O\n0.937434 0.062924 0.045705 O\n0.108219 0.544381 0.017690 O\n0.392602 0.376398 0.562144 O\n0.438418 0.950703 0.936726 O\n0.060335 0.124277 0.483778 O\n0.802355 0.189241 0.042413 O\n0.768403 0.312495 0.898260 O\n0.697737 0.657961 0.607054 O\n0.734425 0.842236 0.459047 O\n0.613114 0.810759 0.731654 O\n0.455909 0.687505 0.710754 O\n0.039776 0.342039 0.765014 O\n0.892189 0.157764 0.801284 O\n0.393304 0.198090 0.842252 O\n0.541570 0.235568 0.656959 O\n0.958169 0.302064 0.311376 O\n0.102026 0.268783 0.187506 O\n0.211483 0.398436 0.332331 O\n0.230947 0.541787 0.155245 O\n0.301866 0.958587 0.806006 O\n0.264254 0.106296 0.695272 O\n0.813047 0.601564 0.230767 O\n0.689160 0.458213 0.197032 O\n0.343279 0.041413 0.264593 O\n0.157959 0.893704 0.301567 O\n0.195213 0.801910 0.540342 O\n0.306002 0.764432 0.392527 O\n0.656104 0.697936 0.113440 O\n0.833243 0.731217 0.956289 O\n0.690677 0.190018 0.309994 O\n0.500447 0.313829 0.000363 O\n0.812027 0.499570 0.498899 O\n0.998927 0.999696 0.188620 O\n0.500658 0.809982 0.000012 O\n0.186618 0.686171 0.814193 O\n0.312458 0.500430 0.498468 O\n0.999231 0.000304 0.688317 O\n0.606530 0.163192 0.096857 O\n0.759445 0.339823 0.064666 O\n0.895947 0.802020 0.446768 O\n0.751466 0.697843 0.405384 O\n0.443338 0.836808 0.760049 O\n0.419622 0.660177 0.904489 O\n0.093927 0.197980 0.748788 O\n0.053623 0.302157 0.603228 O\n0.553926 0.395443 0.698453 O\n0.595178 0.251182 0.802568 O\n0.903492 0.107381 0.336228 O\n0.935850 0.260415 0.159340 O\n0.404828 0.564241 0.175527 O\n0.260140 0.596416 0.296414 O\n0.103488 0.905364 0.842200 O\n0.248892 0.946651 0.656695 O\n0.840587 0.435759 0.239768 O\n0.663725 0.403584 0.392829 O\n0.198124 0.094636 0.247564 O\n0.302241 0.053349 0.103347 O\n0.158483 0.604557 0.593896 O\n0.343996 0.748818 0.553750 O\n0.796112 0.892619 0.943609 O\n0.675435 0.739585 0.919755 O\n","nsites":150,"nelements":5,"elements":["Na","Zn","S","Cl","O"],"chemical_system":"Cl-Na-O-S-Zn","density":2.583543535263672,"density_atomic":0.07224490912036835,"volume":2076.270865675569,"volume_molar":8.335730272656885,"formula_full":"Na42 Zn2 S20 Cl6 O80","formula_reduced":"Na21ZnS10Cl3O40","formula_anonymous":"AB3C10D21E40","energy":-873.3910451200001,"energy_per_atom":-5.822606967466667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-814.7470451200002,"band_gap":4.3485,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.102000Z","spacegroup":9},{"id":"mp-1185590","created_at":"2022-09-04T14:42:24.609372Z","structure_string":"Mg149 I1\n1.0\n13.786166 -7.959450 0.000000\n0.000000 15.918902 0.000000\n-0.000000 -0.000000 15.601034\nMg I\n149 1\ndirect\n0.207051 0.001150 0.000000 Mg\n0.794100 0.001151 0.000000 Mg\n0.799297 0.200703 0.000000 Mg\n0.401406 0.200703 0.000000 Mg\n0.600501 0.201002 0.000000 Mg\n0.998850 0.205900 0.000000 Mg\n0.207051 0.205900 0.000000 Mg\n0.600501 0.399498 0.000000 Mg\n0.798998 0.399498 0.000000 Mg\n0.200160 0.400320 0.000000 Mg\n0.000484 0.402261 0.000000 Mg\n0.401777 0.402261 0.000000 Mg\n0.597738 0.598223 0.000000 Mg\n0.000484 0.598223 0.000000 Mg\n0.799297 0.598595 0.000000 Mg\n0.399487 0.600513 0.000000 Mg\n0.201026 0.600513 0.000000 Mg\n0.794100 0.792949 0.000000 Mg\n0.998850 0.792949 0.000000 Mg\n0.399487 0.798974 0.000000 Mg\n0.200160 0.799840 0.000000 Mg\n0.599680 0.799840 0.000000 Mg\n0.401777 0.999516 0.000000 Mg\n0.597738 0.999516 0.000000 Mg\n0.666667 0.333333 0.166108 Mg\n0.666850 0.133330 0.166232 Mg\n0.466481 0.133331 0.166232 Mg\n0.866670 0.333150 0.166232 Mg\n0.466481 0.333150 0.166232 Mg\n0.666850 0.533520 0.166232 Mg\n0.866670 0.533520 0.166232 Mg\n0.266691 0.533380 0.166473 Mg\n0.466619 0.733309 0.166473 Mg\n0.266691 0.733309 0.166473 Mg\n0.267135 0.333746 0.166766 Mg\n0.066610 0.333746 0.166766 Mg\n0.666254 0.732865 0.166766 Mg\n0.066610 0.732865 0.166766 Mg\n0.267135 0.933390 0.166766 Mg\n0.666254 0.933390 0.166766 Mg\n0.266006 0.133003 0.167043 Mg\n0.866998 0.133003 0.167043 Mg\n0.866998 0.733994 0.167043 Mg\n0.067059 0.533529 0.166953 Mg\n0.466471 0.533529 0.166953 Mg\n0.466471 0.932941 0.166953 Mg\n0.068315 0.136630 0.172442 Mg\n0.068315 0.931685 0.172442 Mg\n0.863369 0.931685 0.172442 Mg\n0.799961 0.200039 0.332773 Mg\n0.400079 0.200039 0.332773 Mg\n0.799961 0.599922 0.332773 Mg\n0.000000 0.000000 0.332897 Mg\n0.199845 0.399690 0.332841 Mg\n0.199845 0.800154 0.332841 Mg\n0.600309 0.800155 0.332841 Mg\n0.600201 0.200403 0.332898 Mg\n0.600201 0.399798 0.332898 Mg\n0.799597 0.399798 0.332898 Mg\n0.399876 0.600124 0.333127 Mg\n0.200249 0.600124 0.333127 Mg\n0.399876 0.799751 0.333127 Mg\n0.400324 0.000041 0.333571 Mg\n0.599718 0.000041 0.333571 Mg\n0.400324 0.400282 0.333571 Mg\n0.999959 0.400282 0.333571 Mg\n0.599718 0.599676 0.333571 Mg\n0.999959 0.599676 0.333571 Mg\n0.799327 0.000290 0.335050 Mg\n0.200962 0.000290 0.335050 Mg\n0.999710 0.200672 0.335050 Mg\n0.200962 0.200673 0.335050 Mg\n0.999710 0.799038 0.335050 Mg\n0.799327 0.799038 0.335050 Mg\n0.066564 0.133128 0.500000 Mg\n0.466636 0.133348 0.500000 Mg\n0.666712 0.133348 0.500000 Mg\n0.866347 0.133653 0.500000 Mg\n0.267304 0.133653 0.500000 Mg\n0.866652 0.333289 0.500000 Mg\n0.466636 0.333289 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266700 0.333906 0.500000 Mg\n0.067206 0.333906 0.500000 Mg\n0.866652 0.533364 0.500000 Mg\n0.666712 0.533364 0.500000 Mg\n0.066758 0.533379 0.500000 Mg\n0.466621 0.533379 0.500000 Mg\n0.266746 0.533493 0.500000 Mg\n0.866347 0.732695 0.500000 Mg\n0.666094 0.733300 0.500000 Mg\n0.067206 0.733300 0.500000 Mg\n0.466507 0.733254 0.500000 Mg\n0.266746 0.733254 0.500000 Mg\n0.666094 0.932794 0.500000 Mg\n0.266700 0.932794 0.500000 Mg\n0.466621 0.933242 0.500000 Mg\n0.866872 0.933436 0.500000 Mg\n0.066564 0.933436 0.500000 Mg\n0.799327 0.000290 0.664950 Mg\n0.200962 0.000290 0.664950 Mg\n0.999710 0.200672 0.664950 Mg\n0.200962 0.200673 0.664950 Mg\n0.999710 0.799038 0.664950 Mg\n0.799327 0.799038 0.664950 Mg\n0.400324 0.000041 0.666429 Mg\n0.599718 0.000041 0.666429 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0.401362 -0.000000 Mg\n0.401026 0.401362 -0.000000 Mg\n0.598638 0.598973 -0.000000 Mg\n0.000336 0.598974 -0.000000 Mg\n0.799769 0.599539 -0.000000 Mg\n0.399704 0.600296 -0.000000 Mg\n0.200592 0.600296 -0.000000 Mg\n0.797284 0.795802 -0.000000 Mg\n0.998518 0.795803 -0.000000 Mg\n0.399704 0.799408 -0.000000 Mg\n0.199644 0.800356 -0.000000 Mg\n0.600713 0.800356 -0.000000 Mg\n0.598638 0.999664 -0.000000 Mg\n0.401026 0.999665 -0.000000 Mg\n0.666666 0.333333 0.166238 Mg\n0.666678 0.133374 0.166205 Mg\n0.466697 0.133374 0.166205 Mg\n0.466697 0.333322 0.166205 Mg\n0.866626 0.333322 0.166205 Mg\n0.666678 0.533303 0.166205 Mg\n0.866626 0.533304 0.166205 Mg\n0.266593 0.533186 0.166341 Mg\n0.466813 0.733407 0.166341 Mg\n0.266593 0.733407 0.166341 Mg\n0.266672 0.332963 0.166285 Mg\n0.066291 0.332964 0.166285 Mg\n0.066291 0.733327 0.166285 Mg\n0.667036 0.733327 0.166285 Mg\n0.667036 0.933708 0.166285 Mg\n0.266672 0.933709 0.166285 Mg\n0.466534 0.533467 0.166552 Mg\n0.066932 0.533467 0.166552 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Mg\n0.066495 0.132990 0.500000 Mg\n0.666532 0.133207 0.500000 Mg\n0.466677 0.133208 0.500000 Mg\n0.266895 0.133447 0.500000 Mg\n0.866552 0.133447 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866792 0.333468 0.500000 Mg\n0.466677 0.333468 0.500000 Mg\n0.066845 0.333441 0.500000 Mg\n0.266597 0.333441 0.500000 Mg\n0.866792 0.533323 0.500000 Mg\n0.666532 0.533323 0.500000 Mg\n0.466621 0.533379 0.500000 Mg\n0.066756 0.533379 0.500000 Mg\n0.266643 0.533286 0.500000 Mg\n0.866552 0.733104 0.500000 Mg\n0.466714 0.733357 0.500000 Mg\n0.266643 0.733357 0.500000 Mg\n0.666560 0.733403 0.500000 Mg\n0.066845 0.733403 0.500000 Mg\n0.466621 0.933243 0.500000 Mg\n0.666560 0.933156 0.500000 Mg\n0.266597 0.933156 0.500000 Mg\n0.867011 0.933506 0.500000 Mg\n0.066495 0.933506 0.500000 Mg\n0.799854 0.000105 0.665614 Mg\n0.200252 0.000106 0.665614 Mg\n0.200252 0.200146 0.665614 Mg\n0.999894 0.200146 0.665614 Mg\n0.999894 0.799748 0.665614 Mg\n0.799854 0.799748 0.665614 Mg\n0.399995 -0.000014 0.666696 Mg\n0.599991 -0.000014 0.666696 Mg\n0.399995 0.400009 0.666696 Mg\n0.000014 0.400009 0.666696 Mg\n0.599991 0.600005 0.666696 Mg\n0.000014 0.600005 0.666696 Mg\n0.200322 0.600162 0.666994 Mg\n0.399838 0.600162 0.666994 Mg\n0.399838 0.799678 0.666994 Mg\n0.600222 0.200446 0.667093 Mg\n0.600222 0.399777 0.667093 Mg\n0.799554 0.399777 0.667093 Mg\n0.800011 0.199989 0.667105 Mg\n0.399977 0.199989 0.667105 Mg\n0.800011 0.600023 0.667105 Mg\n0.199813 0.399624 0.667321 Mg\n0.199813 0.800188 0.667321 Mg\n0.600376 0.800188 0.667321 Mg\n-0.000000 0.000000 0.667324 Mg\n0.067185 0.134369 0.830340 Mg\n0.067185 0.932816 0.830340 Mg\n0.865631 0.932816 0.830340 Mg\n0.266872 0.133436 0.832748 Mg\n0.866564 0.133437 0.832748 Mg\n0.866564 0.733128 0.832748 Mg\n0.466534 0.533467 0.833448 Mg\n0.066932 0.533467 0.833448 Mg\n0.466534 0.933068 0.833448 Mg\n0.266672 0.332963 0.833714 Mg\n0.066291 0.332964 0.833714 Mg\n0.066291 0.733327 0.833714 Mg\n0.667036 0.733327 0.833714 Mg\n0.667036 0.933708 0.833714 Mg\n0.266672 0.933709 0.833714 Mg\n0.266593 0.533186 0.833659 Mg\n0.466813 0.733407 0.833659 Mg\n0.266593 0.733407 0.833659 Mg\n0.666678 0.133374 0.833796 Mg\n0.466697 0.133374 0.833796 Mg\n0.466697 0.333322 0.833796 Mg\n0.866626 0.333322 0.833796 Mg\n0.666678 0.533303 0.833796 Mg\n0.866626 0.533304 0.833796 Mg\n0.666666 0.333333 0.833762 Mg\n-0.000000 0.000000 -0.000000 Te\n","nsites":150,"nelements":2,"elements":["Mg","Te"],"chemical_system":"Mg-Te","density":1.824758671746656,"density_atomic":0.04396701124454312,"volume":3411.6487737978086,"volume_molar":13.696952759661203,"formula_full":"Mg149 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0.000000 Mg\n0.800138 0.400069 0.000000 Mg\n0.400046 0.599954 0.000000 Mg\n0.199908 0.599954 0.000000 Mg\n0.000068 0.600146 0.000000 Mg\n0.600079 0.600147 0.000000 Mg\n0.800218 0.600436 0.000000 Mg\n0.400046 0.800092 0.000000 Mg\n0.199601 0.800398 0.000000 Mg\n0.600797 0.800399 0.000000 Mg\n0.999344 0.800548 0.000000 Mg\n0.801206 0.800549 0.000000 Mg\n0.399853 0.999932 0.000000 Mg\n0.600079 0.999932 0.000000 Mg\n0.066393 0.132786 0.166013 Mg\n0.867214 0.933607 0.166013 Mg\n0.066393 0.933607 0.166013 Mg\n0.266370 0.332811 0.166402 Mg\n0.066442 0.332811 0.166402 Mg\n0.066442 0.733630 0.166402 Mg\n0.667189 0.733630 0.166402 Mg\n0.667189 0.933559 0.166402 Mg\n0.266370 0.933559 0.166402 Mg\n0.466821 0.133349 0.166563 Mg\n0.666528 0.133349 0.166563 Mg\n0.466821 0.333472 0.166563 Mg\n0.866651 0.333472 0.166563 Mg\n0.666528 0.533179 0.166563 Mg\n0.866651 0.533179 0.166563 Mg\n0.666666 0.333333 0.166622 Mg\n0.466644 0.533355 0.166599 Mg\n0.066710 0.533356 0.166599 Mg\n0.466644 0.933290 0.166599 Mg\n0.266573 0.533148 0.166659 Mg\n0.266573 0.733426 0.166659 Mg\n0.466852 0.733426 0.166659 Mg\n0.866344 0.133656 0.167163 Mg\n0.267313 0.133656 0.167163 Mg\n0.866344 0.732687 0.167163 Mg\n0.000000 0.000000 0.332916 Mg\n0.199817 0.999963 0.333262 Mg\n0.800147 0.999963 0.333262 Mg\n0.000037 0.199853 0.333262 Mg\n0.199817 0.199853 0.333262 Mg\n0.800147 0.800183 0.333262 Mg\n0.000037 0.800183 0.333262 Mg\n0.399873 0.000033 0.333220 Mg\n0.600161 0.000033 0.333220 Mg\n0.999967 0.399839 0.333220 Mg\n0.399873 0.399840 0.333220 Mg\n0.999967 0.600126 0.333220 Mg\n0.600161 0.600126 0.333220 Mg\n0.199957 0.399914 0.333229 Mg\n0.199957 0.800043 0.333229 Mg\n0.600085 0.800043 0.333229 Mg\n0.600007 0.200015 0.333280 Mg\n0.600007 0.399993 0.333280 Mg\n0.799985 0.399993 0.333280 Mg\n0.799980 0.200020 0.333397 Mg\n0.400039 0.200020 0.333397 Mg\n0.799980 0.599961 0.333397 Mg\n0.400004 0.599996 0.333409 Mg\n0.199993 0.599997 0.333409 Mg\n0.400004 0.800007 0.333409 Mg\n0.066635 0.133269 0.500000 Mg\n0.866692 0.133308 0.500000 Mg\n0.266616 0.133308 0.500000 Mg\n0.466750 0.133325 0.500000 Mg\n0.666576 0.133325 0.500000 Mg\n0.266709 0.333269 0.500000 Mg\n0.066560 0.333269 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866675 0.333424 0.500000 Mg\n0.466750 0.333425 0.500000 Mg\n0.866675 0.533250 0.500000 Mg\n0.666576 0.533251 0.500000 Mg\n0.466718 0.533282 0.500000 Mg\n0.066565 0.533283 0.500000 Mg\n0.266620 0.533241 0.500000 Mg\n0.066560 0.733291 0.500000 Mg\n0.666731 0.733291 0.500000 Mg\n0.266620 0.733379 0.500000 Mg\n0.466760 0.733380 0.500000 Mg\n0.866692 0.733383 0.500000 Mg\n0.866731 0.933365 0.500000 Mg\n0.066635 0.933365 0.500000 Mg\n0.666731 0.933440 0.500000 Mg\n0.266709 0.933440 0.500000 Mg\n0.466718 0.933436 0.500000 Mg\n0.400004 0.599996 0.666591 Mg\n0.199993 0.599997 0.666591 Mg\n0.400004 0.800007 0.666591 Mg\n0.799980 0.200020 0.666603 Mg\n0.400039 0.200020 0.666603 Mg\n0.799980 0.599961 0.666603 Mg\n0.600007 0.200015 0.666720 Mg\n0.600007 0.399993 0.666720 Mg\n0.799985 0.399993 0.666720 Mg\n0.199957 0.399914 0.666770 Mg\n0.199957 0.800043 0.666770 Mg\n0.600085 0.800043 0.666770 Mg\n0.399873 0.000033 0.666780 Mg\n0.600161 0.000033 0.666780 Mg\n0.999967 0.399839 0.666780 Mg\n0.399873 0.399840 0.666780 Mg\n0.999967 0.600126 0.666780 Mg\n0.600161 0.600126 0.666780 Mg\n0.199817 0.999963 0.666738 Mg\n0.800147 0.999963 0.666738 Mg\n0.000037 0.199853 0.666738 Mg\n0.199817 0.199853 0.666738 Mg\n0.800147 0.800183 0.666738 Mg\n0.000037 0.800183 0.666738 Mg\n0.000000 0.000000 0.667084 Mg\n0.866344 0.133656 0.832837 Mg\n0.267313 0.133656 0.832837 Mg\n0.866344 0.732687 0.832837 Mg\n0.266573 0.533148 0.833341 Mg\n0.266573 0.733426 0.833341 Mg\n0.466852 0.733426 0.833341 Mg\n0.466644 0.533355 0.833401 Mg\n0.066710 0.533356 0.833401 Mg\n0.466644 0.933290 0.833401 Mg\n0.666666 0.333333 0.833378 Mg\n0.466821 0.133349 0.833437 Mg\n0.666528 0.133349 0.833437 Mg\n0.466821 0.333472 0.833437 Mg\n0.866651 0.333472 0.833437 Mg\n0.666528 0.533179 0.833437 Mg\n0.866651 0.533179 0.833437 Mg\n0.266370 0.332811 0.833598 Mg\n0.066442 0.332811 0.833598 Mg\n0.066442 0.733630 0.833598 Mg\n0.667189 0.733630 0.833598 Mg\n0.667189 0.933559 0.833598 Mg\n0.266370 0.933559 0.833598 Mg\n0.066393 0.132786 0.833987 Mg\n0.867214 0.933607 0.833987 Mg\n0.066393 0.933607 0.833987 Mg\n0.000000 0.000000 0.000000 Cd\n","nsites":150,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":1.8146312055263185,"density_atomic":0.04390085430829865,"volume":3416.7900001810503,"volume_molar":13.717593552300475,"formula_full":"Mg149 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Mg\n0.800067 0.600139 0.666618 Mg\n-0.000000 -0.000001 0.666586 Mg\n0.599916 0.199832 0.666865 Mg\n0.599918 0.400084 0.666864 Mg\n0.800168 0.400086 0.666866 Mg\n0.600184 0.999986 0.666892 Mg\n0.399799 0.999983 0.666894 Mg\n0.000015 0.399816 0.666893 Mg\n0.399798 0.399815 0.666892 Mg\n0.600185 0.600202 0.666895 Mg\n0.000016 0.600202 0.666894 Mg\n0.199373 0.199638 0.667986 Mg\n0.000265 0.199636 0.667985 Mg\n0.800366 0.800628 0.667987 Mg\n0.000260 0.800627 0.667986 Mg\n0.800366 0.999737 0.667988 Mg\n0.199370 0.999736 0.667987 Mg\n0.266727 0.533451 0.833257 Mg\n0.466551 0.733275 0.833259 Mg\n0.266727 0.733275 0.833259 Mg\n0.666975 0.133268 0.833342 Mg\n0.466292 0.133270 0.833343 Mg\n0.466293 0.333025 0.833342 Mg\n0.866731 0.333024 0.833343 Mg\n0.666975 0.533706 0.833340 Mg\n0.866734 0.533709 0.833342 Mg\n0.266216 0.333303 0.833453 Mg\n0.067084 0.333303 0.833455 Mg\n0.067084 0.733781 0.833455 Mg\n0.666695 0.733779 0.833455 Mg\n0.666697 0.932916 0.833457 Mg\n0.266221 0.932917 0.833456 Mg\n0.666667 0.333334 0.833688 Mg\n0.066650 0.533324 0.833514 Mg\n0.466677 0.533326 0.833511 Mg\n0.466674 0.933349 0.833512 Mg\n0.266477 0.133237 0.834095 Mg\n0.866761 0.133240 0.834097 Mg\n0.866761 0.733521 0.834095 Mg\n0.065374 0.130748 0.837055 Mg\n0.065374 0.934624 0.837056 Mg\n0.869251 0.934623 0.837057 Mg\n0.000001 0.000002 0.000000 Ti\n","nsites":150,"nelements":2,"elements":["Mg","Ti"],"chemical_system":"Mg-Ti","density":1.7848070777448541,"density_atomic":0.043938861516838214,"volume":3413.834469573526,"volume_molar":13.70572780474114,"formula_full":"Mg149 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Mg\n0.400348 0.400451 -0.000000 Mg\n0.000104 0.400451 -0.000000 Mg\n0.599549 0.599653 -0.000000 Mg\n0.000104 0.599653 -0.000000 Mg\n0.199909 0.599954 -0.000000 Mg\n0.400046 0.599954 -0.000000 Mg\n0.799993 0.599988 -0.000000 Mg\n0.999039 0.798403 -0.000000 Mg\n0.799364 0.798404 -0.000000 Mg\n0.400046 0.800091 -0.000000 Mg\n0.600881 0.800441 -0.000000 Mg\n0.199558 0.800441 -0.000000 Mg\n0.599549 0.999897 -0.000000 Mg\n0.400348 0.999897 -0.000000 Mg\n0.066341 0.332897 0.166259 Mg\n0.266556 0.332897 0.166259 Mg\n0.066341 0.733444 0.166259 Mg\n0.667103 0.733444 0.166259 Mg\n0.667103 0.933659 0.166259 Mg\n0.266556 0.933659 0.166259 Mg\n0.466797 0.133322 0.166421 Mg\n0.666524 0.133322 0.166421 Mg\n0.466797 0.333476 0.166421 Mg\n0.866678 0.333476 0.166421 Mg\n0.666524 0.533203 0.166421 Mg\n0.866678 0.533203 0.166421 Mg\n0.666667 0.333333 0.166603 Mg\n0.266541 0.533081 0.166521 Mg\n0.466919 0.733459 0.166521 Mg\n0.266541 0.733460 0.166521 Mg\n0.466611 0.533389 0.166464 Mg\n0.066777 0.533389 0.166464 Mg\n0.466611 0.933223 0.166464 Mg\n0.866303 0.133697 0.167249 Mg\n0.267395 0.133697 0.167249 Mg\n0.866303 0.732605 0.167249 Mg\n0.066838 0.133676 0.167824 Mg\n0.866324 0.933162 0.167824 Mg\n0.066838 0.933162 0.167824 Mg\n0.199914 0.399827 0.332934 Mg\n0.600173 0.800086 0.332934 Mg\n0.199914 0.800086 0.332934 Mg\n0.399892 0.999994 0.333148 Mg\n0.600102 0.999995 0.333148 Mg\n0.000005 0.399898 0.333148 Mg\n0.399892 0.399898 0.333148 Mg\n0.000005 0.600108 0.333148 Mg\n0.600102 0.600108 0.333148 Mg\n0.600024 0.200047 0.333063 Mg\n0.600024 0.399976 0.333063 Mg\n0.799953 0.399977 0.333063 Mg\n-0.000000 0.000000 0.333517 Mg\n0.400118 0.200059 0.333226 Mg\n0.799940 0.200060 0.333226 Mg\n0.799940 0.599881 0.333226 Mg\n0.200042 0.600022 0.333101 Mg\n0.399978 0.600022 0.333101 Mg\n0.399978 0.799957 0.333101 Mg\n0.199830 0.000062 0.333793 Mg\n0.800232 0.000062 0.333793 Mg\n0.199830 0.199768 0.333793 Mg\n0.999938 0.199768 0.333793 Mg\n0.999938 0.800170 0.333793 Mg\n0.800232 0.800170 0.333793 Mg\n0.066561 0.133121 0.500000 Mg\n0.666495 0.133134 0.500000 Mg\n0.466639 0.133134 0.500000 Mg\n0.866746 0.133254 0.500000 Mg\n0.266508 0.133254 0.500000 Mg\n0.266619 0.333226 0.500000 Mg\n0.066606 0.333227 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466639 0.333505 0.500000 Mg\n0.866866 0.333505 0.500000 Mg\n0.666495 0.533361 0.500000 Mg\n0.866866 0.533361 0.500000 Mg\n0.266507 0.533015 0.500000 Mg\n0.466692 0.533308 0.500000 Mg\n0.066616 0.533308 0.500000 Mg\n0.266507 0.733492 0.500000 Mg\n0.466985 0.733493 0.500000 Mg\n0.866746 0.733492 0.500000 Mg\n0.666774 0.733380 0.500000 Mg\n0.066606 0.733380 0.500000 Mg\n0.466692 0.933384 0.500000 Mg\n0.266619 0.933394 0.500000 Mg\n0.666774 0.933395 0.500000 Mg\n0.066561 0.933439 0.500000 Mg\n0.866879 0.933439 0.500000 Mg\n0.199830 0.000062 0.666208 Mg\n0.800232 0.000062 0.666208 Mg\n0.199830 0.199768 0.666208 Mg\n0.999938 0.199768 0.666208 Mg\n0.999938 0.800170 0.666208 Mg\n0.800232 0.800170 0.666208 Mg\n0.200042 0.600022 0.666900 Mg\n0.399978 0.600022 0.666900 Mg\n0.399978 0.799957 0.666900 Mg\n0.400118 0.200059 0.666775 Mg\n0.799940 0.200060 0.666775 Mg\n0.799940 0.599881 0.666775 Mg\n-0.000000 0.000000 0.666483 Mg\n0.600024 0.200047 0.666937 Mg\n0.600024 0.399976 0.666937 Mg\n0.799953 0.399977 0.666937 Mg\n0.399892 0.999994 0.666852 Mg\n0.600102 0.999995 0.666852 Mg\n0.000005 0.399898 0.666852 Mg\n0.399892 0.399898 0.666852 Mg\n0.000005 0.600108 0.666852 Mg\n0.600102 0.600108 0.666852 Mg\n0.199914 0.399827 0.667066 Mg\n0.600173 0.800086 0.667066 Mg\n0.199914 0.800086 0.667066 Mg\n0.066838 0.133676 0.832176 Mg\n0.866324 0.933162 0.832176 Mg\n0.066838 0.933162 0.832176 Mg\n0.866303 0.133697 0.832751 Mg\n0.267395 0.133697 0.832751 Mg\n0.866303 0.732605 0.832751 Mg\n0.466611 0.533389 0.833535 Mg\n0.066777 0.533389 0.833535 Mg\n0.466611 0.933223 0.833535 Mg\n0.266541 0.533081 0.833479 Mg\n0.466919 0.733459 0.833479 Mg\n0.266541 0.733460 0.833479 Mg\n0.666667 0.333333 0.833397 Mg\n0.466797 0.133322 0.833579 Mg\n0.666524 0.133322 0.833579 Mg\n0.466797 0.333476 0.833579 Mg\n0.866678 0.333476 0.833579 Mg\n0.666524 0.533203 0.833579 Mg\n0.866678 0.533203 0.833579 Mg\n0.066341 0.332897 0.833740 Mg\n0.266556 0.332897 0.833740 Mg\n0.066341 0.733444 0.833740 Mg\n0.667103 0.733444 0.833740 Mg\n0.667103 0.933659 0.833740 Mg\n0.266556 0.933659 0.833740 Mg\n-0.000000 0.000000 -0.000000 Sn\n","nsites":150,"nelements":2,"elements":["Mg","Sn"],"chemical_system":"Mg-Sn","density":1.8168575479052917,"density_atomic":0.043880689028136056,"volume":3418.3601789803442,"volume_molar":13.723897444132286,"formula_full":"Mg149 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Mg\n0.999508 0.396844 -0.000000 Mg\n0.198903 0.397807 -0.000000 Mg\n0.599745 0.400255 -0.000000 Mg\n0.800510 0.400255 -0.000000 Mg\n0.400182 0.599818 -0.000000 Mg\n0.199636 0.599818 -0.000000 Mg\n0.800472 0.600943 -0.000000 Mg\n0.999508 0.602665 -0.000000 Mg\n0.603156 0.602665 -0.000000 Mg\n0.400182 0.800364 -0.000000 Mg\n0.198903 0.801096 -0.000000 Mg\n0.602193 0.801097 -0.000000 Mg\n0.999225 0.808683 -0.000000 Mg\n0.809458 0.808683 -0.000000 Mg\n0.063770 0.127541 0.158029 Mg\n0.063770 0.936229 0.158029 Mg\n0.872459 0.936230 0.158029 Mg\n0.265366 0.332046 0.165905 Mg\n0.066680 0.332046 0.165905 Mg\n0.667953 0.734634 0.165905 Mg\n0.066680 0.734634 0.165905 Mg\n0.667953 0.933319 0.165905 Mg\n0.265366 0.933320 0.165905 Mg\n0.466648 0.533351 0.166132 Mg\n0.066703 0.533352 0.166132 Mg\n0.466648 0.933297 0.166132 Mg\n0.266606 0.533212 0.166433 Mg\n0.266606 0.733394 0.166433 Mg\n0.466787 0.733394 0.166433 Mg\n0.865898 0.134101 0.166364 Mg\n0.268202 0.134101 0.166364 Mg\n0.865898 0.731798 0.166364 Mg\n0.466787 0.133551 0.166781 Mg\n0.666764 0.133551 0.166781 Mg\n0.466787 0.333236 0.166781 Mg\n0.866448 0.333236 0.166781 Mg\n0.866448 0.533212 0.166781 Mg\n0.666764 0.533213 0.166781 Mg\n0.666667 0.333333 0.166493 Mg\n0.800799 0.999647 0.330895 Mg\n0.198848 0.999648 0.330895 Mg\n0.198848 0.199201 0.330895 Mg\n0.000353 0.199201 0.330895 Mg\n0.000353 0.801152 0.330895 Mg\n0.800799 0.801152 0.330895 Mg\n-0.000000 -0.000000 0.332863 Mg\n0.399399 0.999870 0.332735 Mg\n0.600472 0.999870 0.332735 Mg\n0.000130 0.399528 0.332735 Mg\n0.399399 0.399528 0.332735 Mg\n0.600472 0.600601 0.332735 Mg\n0.000130 0.600602 0.332735 Mg\n0.200127 0.400253 0.333382 Mg\n0.200127 0.799874 0.333382 Mg\n0.599747 0.799874 0.333382 Mg\n0.599854 0.199708 0.333420 Mg\n0.800292 0.400146 0.333420 Mg\n0.599854 0.400146 0.333420 Mg\n0.400003 0.200002 0.333641 Mg\n0.799999 0.200002 0.333641 Mg\n0.799999 0.599997 0.333641 Mg\n0.400014 0.599985 0.333449 Mg\n0.199971 0.599986 0.333449 Mg\n0.400014 0.800030 0.333449 Mg\n0.266083 0.133042 0.500000 Mg\n0.866958 0.133042 0.500000 Mg\n0.066582 0.133162 0.500000 Mg\n0.667026 0.133833 0.500000 Mg\n0.466807 0.133833 0.500000 Mg\n0.066318 0.332689 0.500000 Mg\n0.266371 0.332689 0.500000 Mg\n0.466807 0.332974 0.500000 Mg\n0.866167 0.332974 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266355 0.532711 0.500000 Mg\n0.467185 0.532816 0.500000 Mg\n0.065630 0.532816 0.500000 Mg\n0.667026 0.533192 0.500000 Mg\n0.866167 0.533192 0.500000 Mg\n0.266355 0.733645 0.500000 Mg\n0.467289 0.733645 0.500000 Mg\n0.667311 0.733629 0.500000 Mg\n0.066318 0.733629 0.500000 Mg\n0.866958 0.733917 0.500000 Mg\n0.866838 0.933419 0.500000 Mg\n0.066582 0.933419 0.500000 Mg\n0.266371 0.933682 0.500000 Mg\n0.667311 0.933682 0.500000 Mg\n0.467185 0.934370 0.500000 Mg\n0.400003 0.200002 0.666358 Mg\n0.799999 0.200002 0.666358 Mg\n0.799999 0.599997 0.666358 Mg\n0.400014 0.599985 0.666551 Mg\n0.199971 0.599986 0.666551 Mg\n0.400014 0.800030 0.666551 Mg\n0.599854 0.199708 0.666580 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0.024412 0.678505 Gd\n0.316493 0.975588 0.821495 Gd\n0.816931 0.281921 0.292334 Gd\n0.535011 0.718079 0.207666 Gd\n0.183069 0.718079 0.707666 Gd\n0.464989 0.281921 0.792334 Gd\n0.075679 0.691345 0.539052 Gd\n0.384334 0.308655 0.960948 Gd\n0.924321 0.308655 0.460948 Gd\n0.615666 0.691345 0.039052 Gd\n0.480920 0.515979 0.461304 B\n0.964942 0.484021 0.038696 B\n0.519080 0.484021 0.538696 B\n0.035058 0.515979 0.961304 B\n0.918687 0.497397 0.218299 B\n0.421291 0.502603 0.281701 B\n0.081313 0.502603 0.781701 B\n0.578709 0.497397 0.718299 B\n0.373831 0.145679 0.469602 B\n0.228152 0.854321 0.030398 B\n0.626169 0.854321 0.530398 B\n0.771848 0.145679 0.969602 B\n0.574044 0.705500 0.441380 B\n0.868545 0.294500 0.058620 B\n0.425956 0.294500 0.558620 B\n0.131455 0.705500 0.941380 B\n0.074850 0.801953 0.307763 B\n0.272897 0.198047 0.192237 B\n0.925150 0.198047 0.692237 B\n0.727103 0.801953 0.807763 B\n0.838171 0.291226 0.162876 B\n0.546944 0.708774 0.337124 B\n0.161829 0.708774 0.837124 B\n0.453056 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Mg\n0.465778 0.133033 0.166543 Mg\n0.667254 0.133033 0.166543 Mg\n0.866967 0.332746 0.166543 Mg\n0.465778 0.332746 0.166543 Mg\n0.667254 0.534222 0.166543 Mg\n0.866967 0.534222 0.166543 Mg\n0.466625 0.533374 0.167390 Mg\n0.066750 0.533375 0.167390 Mg\n0.466625 0.933250 0.167390 Mg\n0.267039 0.534080 0.167315 Mg\n0.267039 0.732960 0.167315 Mg\n0.465920 0.732960 0.167315 Mg\n0.267670 0.335455 0.167717 Mg\n0.067786 0.335456 0.167717 Mg\n0.067786 0.732330 0.167717 Mg\n0.664545 0.732330 0.167717 Mg\n0.267670 0.932214 0.167717 Mg\n0.664545 0.932214 0.167717 Mg\n0.068375 0.136751 0.170796 Mg\n0.863250 0.931625 0.170796 Mg\n0.068375 0.931625 0.170796 Mg\n0.800074 0.199926 0.332800 Mg\n0.399852 0.199926 0.332800 Mg\n0.800074 0.600147 0.332800 Mg\n0.600057 0.200114 0.332970 Mg\n0.799885 0.399943 0.332970 Mg\n0.600057 0.399943 0.332970 Mg\n0.599657 0.000228 0.333822 Mg\n0.400571 0.000228 0.333822 Mg\n0.400571 0.400343 0.333822 Mg\n0.999773 0.400343 0.333822 Mg\n0.599657 0.599429 0.333822 Mg\n0.999773 0.599430 0.333822 Mg\n0.400082 0.599918 0.333767 Mg\n0.199838 0.599918 0.333767 Mg\n0.400082 0.800162 0.333767 Mg\n0.200187 0.400375 0.333979 Mg\n0.599626 0.799813 0.333979 Mg\n0.200187 0.799813 0.333979 Mg\n0.799266 0.000170 0.334072 Mg\n0.200904 0.000170 0.334072 Mg\n0.200904 0.200734 0.334072 Mg\n0.999830 0.200734 0.334072 Mg\n0.799266 0.799096 0.334072 Mg\n0.999830 0.799096 0.334072 Mg\n-0.000000 -0.000000 0.334142 Mg\n0.066761 0.133523 0.500000 Mg\n0.267223 0.133611 0.500000 Mg\n0.866388 0.133612 0.500000 Mg\n0.667023 0.133975 0.500000 Mg\n0.466953 0.133975 0.500000 Mg\n0.466953 0.332977 0.500000 Mg\n0.866025 0.332977 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066961 0.333765 0.500000 Mg\n0.266805 0.333766 0.500000 Mg\n0.866025 0.533047 0.500000 Mg\n0.667023 0.533047 0.500000 Mg\n0.466757 0.533243 0.500000 Mg\n0.066487 0.533243 0.500000 Mg\n0.266818 0.533638 0.500000 Mg\n0.866388 0.732777 0.500000 Mg\n0.066961 0.733195 0.500000 Mg\n0.666235 0.733196 0.500000 Mg\n0.466362 0.733181 0.500000 Mg\n0.266818 0.733182 0.500000 Mg\n0.266805 0.933039 0.500000 Mg\n0.666235 0.933040 0.500000 Mg\n0.066761 0.933239 0.500000 Mg\n0.866477 0.933239 0.500000 Mg\n0.466757 0.933513 0.500000 Mg\n-0.000000 -0.000000 0.665858 Mg\n0.799266 0.000170 0.665928 Mg\n0.200904 0.000170 0.665928 Mg\n0.200904 0.200734 0.665928 Mg\n0.999830 0.200734 0.665928 Mg\n0.799266 0.799096 0.665928 Mg\n0.999830 0.799096 0.665928 Mg\n0.200187 0.400375 0.666021 Mg\n0.599626 0.799813 0.666021 Mg\n0.200187 0.799813 0.666021 Mg\n0.400082 0.599918 0.666233 Mg\n0.199838 0.599918 0.666233 Mg\n0.400082 0.800162 0.666233 Mg\n0.599657 0.000228 0.666178 Mg\n0.400571 0.000228 0.666178 Mg\n0.400571 0.400343 0.666178 Mg\n0.999773 0.400343 0.666178 Mg\n0.599657 0.599429 0.666178 Mg\n0.999773 0.599430 0.666178 Mg\n0.600057 0.200114 0.667030 Mg\n0.799885 0.399943 0.667030 Mg\n0.600057 0.399943 0.667030 Mg\n0.800074 0.199926 0.667200 Mg\n0.399852 0.199926 0.667200 Mg\n0.800074 0.600147 0.667200 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Mg\n","nsites":150,"nelements":2,"elements":["Yb","Mg"],"chemical_system":"Mg-Yb","density":1.8146129230426518,"density_atomic":0.0431989629076976,"volume":3472.305581050687,"volume_molar":13.940475313880553,"formula_full":"Yb1 Mg149","formula_reduced":"YbMg149","formula_anonymous":"AB149","energy":-243.87621506,"energy_per_atom":-1.6258414337333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.87621506,"band_gap":0.4866999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0152204,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.836000Z","spacegroup":187},{"id":"mp-1185627","created_at":"2022-09-04T14:42:17.336873Z","structure_string":"Mg149 Mn1\n1.0\n13.758122 -7.943258 0.000000\n0.000000 15.886518 -0.000000\n0.000000 0.000000 15.621069\nMg Mn\n149 1\ndirect\n0.601964 0.000111 -0.000000 Mg\n0.398147 0.000111 -0.000000 Mg\n0.808258 0.000772 -0.000000 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0.533316 0.166444 Mg\n0.466684 0.933368 0.166444 Mg\n0.666667 0.333333 0.166074 Mg\n0.266712 0.533424 0.166232 Mg\n0.466576 0.733288 0.166232 Mg\n0.266712 0.733288 0.166232 Mg\n0.466911 0.133580 0.166527 Mg\n0.666669 0.133580 0.166527 Mg\n0.466911 0.333331 0.166527 Mg\n0.866420 0.333331 0.166527 Mg\n0.866420 0.533089 0.166527 Mg\n0.666669 0.533089 0.166527 Mg\n0.267993 0.133996 0.166145 Mg\n0.866004 0.133996 0.166145 Mg\n0.866004 0.732007 0.166145 Mg\n0.199276 0.199501 0.331722 Mg\n0.000225 0.199501 0.331722 Mg\n0.000225 0.800724 0.331722 Mg\n0.800499 0.800724 0.331722 Mg\n0.199276 0.999775 0.331722 Mg\n0.800499 0.999776 0.331722 Mg\n-0.000000 0.000000 0.332950 Mg\n0.000200 0.399453 0.332743 Mg\n0.399254 0.399453 0.332743 Mg\n0.000200 0.600747 0.332743 Mg\n0.600547 0.600747 0.332743 Mg\n0.600547 0.999800 0.332743 Mg\n0.399254 0.999800 0.332743 Mg\n0.599709 0.199418 0.333055 Mg\n0.599709 0.400291 0.333055 Mg\n0.800582 0.400291 0.333055 Mg\n0.200122 0.400244 0.333333 Mg\n0.599756 0.799878 0.333333 Mg\n0.200122 0.799878 0.333333 Mg\n0.800153 0.199846 0.333276 Mg\n0.399694 0.199846 0.333276 Mg\n0.800153 0.600306 0.333276 Mg\n0.399985 0.600015 0.333001 Mg\n0.200030 0.600015 0.333001 Mg\n0.399985 0.799970 0.333001 Mg\n0.066617 0.133235 0.500000 Mg\n0.266681 0.133341 0.500000 Mg\n0.866659 0.133341 0.500000 Mg\n0.666877 0.133833 0.500000 Mg\n0.466957 0.133834 0.500000 Mg\n0.066309 0.332957 0.500000 Mg\n0.266648 0.332958 0.500000 Mg\n0.466957 0.333122 0.500000 Mg\n0.866166 0.333122 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266359 0.532717 0.500000 Mg\n0.467487 0.532513 0.500000 Mg\n0.065026 0.532513 0.500000 Mg\n0.666877 0.533042 0.500000 Mg\n0.866166 0.533043 0.500000 Mg\n0.467284 0.733641 0.500000 Mg\n0.266359 0.733642 0.500000 Mg\n0.066309 0.733352 0.500000 Mg\n0.667042 0.733352 0.500000 Mg\n0.866659 0.733319 0.500000 Mg\n0.866765 0.933382 0.500000 Mg\n0.066617 0.933383 0.500000 Mg\n0.667042 0.933690 0.500000 Mg\n0.266648 0.933690 0.500000 Mg\n0.467487 0.934974 0.500000 Mg\n0.399985 0.600015 0.667000 Mg\n0.200030 0.600015 0.667000 Mg\n0.399985 0.799970 0.667000 Mg\n0.800153 0.199846 0.666724 Mg\n0.399694 0.199846 0.666724 Mg\n0.800153 0.600306 0.666724 Mg\n0.200122 0.400244 0.666667 Mg\n0.599756 0.799878 0.666667 Mg\n0.200122 0.799878 0.666667 Mg\n0.599709 0.199418 0.666945 Mg\n0.599709 0.400291 0.666945 Mg\n0.800582 0.400291 0.666945 Mg\n0.000200 0.399453 0.667257 Mg\n0.399254 0.399453 0.667257 Mg\n0.000200 0.600747 0.667257 Mg\n0.600547 0.600747 0.667257 Mg\n0.600547 0.999800 0.667257 Mg\n0.399254 0.999800 0.667257 Mg\n-0.000000 0.000000 0.667050 Mg\n0.199276 0.199501 0.668279 Mg\n0.000225 0.199501 0.668279 Mg\n0.000225 0.800724 0.668279 Mg\n0.800499 0.800724 0.668279 Mg\n0.199276 0.999775 0.668279 Mg\n0.800499 0.999776 0.668279 Mg\n0.267993 0.133996 0.833855 Mg\n0.866004 0.133996 0.833855 Mg\n0.866004 0.732007 0.833855 Mg\n0.466911 0.133580 0.833473 Mg\n0.666669 0.133580 0.833473 Mg\n0.466911 0.333331 0.833473 Mg\n0.866420 0.333331 0.833473 Mg\n0.866420 0.533089 0.833473 Mg\n0.666669 0.533089 0.833473 Mg\n0.266712 0.533424 0.833768 Mg\n0.466576 0.733288 0.833768 Mg\n0.266712 0.733288 0.833768 Mg\n0.666667 0.333333 0.833926 Mg\n0.466684 0.533316 0.833556 Mg\n0.066632 0.533316 0.833556 Mg\n0.466684 0.933368 0.833556 Mg\n0.265833 0.332593 0.834002 Mg\n0.066761 0.332594 0.834002 Mg\n0.667406 0.734167 0.834002 Mg\n0.066761 0.734167 0.834002 Mg\n0.265833 0.933239 0.834002 Mg\n0.667406 0.933240 0.834002 Mg\n0.064024 0.128048 0.842241 Mg\n0.064024 0.935975 0.842241 Mg\n0.871952 0.935976 0.842241 Mg\n-0.000000 0.000000 -0.000000 Mn\n","nsites":150,"nelements":2,"elements":["Mg","Mn"],"chemical_system":"Mg-Mn","density":1.7880152800135996,"density_atomic":0.043933179306376344,"volume":3414.276006613284,"volume_molar":13.707500470210592,"formula_full":"Mg149 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