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{
"id": "oqmd-7559",
"created_at": "2022-09-04T14:48:53.482662Z",
"updated_at": "2022-09-04T14:48:53.482688Z",
"structure_string": "Li96 Si56\n1.0\n8.305461 0.000000 0.000000\n0.000000 19.134063 0.000000\n0.000000 0.000000 13.955600\nLi Si\n96 56\ndirect\n0.343647 0.613728 0.005335 Li\n0.343647 0.886272 0.005335 Li\n0.000565 0.625526 0.029311 Li\n0.000565 0.874474 0.029311 Li\n0.642704 0.666413 0.038408 Li\n0.642704 0.833587 0.038408 Li\n0.132063 0.503647 0.064106 Li\n0.132063 0.996353 0.064106 Li\n0.626615 0.523241 0.064650 Li\n0.626615 0.976760 0.064650 Li\n0.884620 0.250000 0.132628 Li\n0.127758 0.148155 0.136956 Li\n0.127758 0.351845 0.136956 Li\n0.350533 0.250000 0.149829 Li\n0.387248 0.686622 0.157074 Li\n0.387248 0.813378 0.157074 Li\n0.623638 0.166494 0.158282 Li\n0.623638 0.333506 0.158282 Li\n0.871252 0.688737 0.164610 Li\n0.871252 0.811264 0.164610 Li\n0.128507 0.611912 0.239191 Li\n0.128507 0.888087 0.239191 Li\n0.626228 0.033302 0.246213 Li\n0.626228 0.466698 0.246213 Li\n0.126228 0.033302 0.253787 Li\n0.126228 0.466698 0.253787 Li\n0.628507 0.611912 0.260809 Li\n0.628507 0.888087 0.260809 Li\n0.371252 0.688737 0.335390 Li\n0.371252 0.811264 0.335390 Li\n0.123638 0.166494 0.341718 Li\n0.123638 0.333506 0.341718 Li\n0.887248 0.686622 0.342926 Li\n0.887248 0.813378 0.342926 Li\n0.850533 0.250000 0.350171 Li\n0.627758 0.148155 0.363044 Li\n0.627758 0.351845 0.363044 Li\n0.384620 0.250000 0.367372 Li\n0.126615 0.523241 0.435350 Li\n0.126615 0.976760 0.435350 Li\n0.632062 0.503647 0.435895 Li\n0.632062 0.996353 0.435895 Li\n0.142704 0.666413 0.461592 Li\n0.142704 0.833587 0.461592 Li\n0.500565 0.625526 0.470689 Li\n0.500565 0.874474 0.470689 Li\n0.843647 0.613728 0.494665 Li\n0.843647 0.886272 0.494665 Li\n0.156353 0.113728 0.505335 Li\n0.156353 0.386272 0.505335 Li\n0.499435 0.125525 0.529311 Li\n0.499435 0.374475 0.529311 Li\n0.857296 0.166413 0.538408 Li\n0.857296 0.333587 0.538408 Li\n0.367937 0.003647 0.564106 Li\n0.367937 0.496353 0.564106 Li\n0.873384 0.023240 0.564650 Li\n0.873384 0.476760 0.564650 Li\n0.615379 0.750000 0.632628 Li\n0.372242 0.648155 0.636956 Li\n0.372242 0.851845 0.636956 Li\n0.149467 0.750000 0.649829 Li\n0.112752 0.186622 0.657074 Li\n0.112752 0.313378 0.657074 Li\n0.876362 0.666495 0.658282 Li\n0.876362 0.833506 0.658282 Li\n0.628748 0.188736 0.664610 Li\n0.628748 0.311264 0.664610 Li\n0.371493 0.111912 0.739191 Li\n0.371493 0.388087 0.739191 Li\n0.873772 0.533303 0.746213 Li\n0.873772 0.966697 0.746213 Li\n0.373772 0.533303 0.753787 Li\n0.373772 0.966697 0.753787 Li\n0.871493 0.111912 0.760809 Li\n0.871493 0.388087 0.760809 Li\n0.128748 0.188736 0.835390 Li\n0.128748 0.311264 0.835390 Li\n0.376362 0.666495 0.841718 Li\n0.376362 0.833506 0.841718 Li\n0.612752 0.186622 0.842926 Li\n0.612752 0.313378 0.842926 Li\n0.649467 0.750000 0.850171 Li\n0.872242 0.648155 0.863044 Li\n0.872242 0.851845 0.863044 Li\n0.115380 0.750000 0.867372 Li\n0.373384 0.023240 0.935350 Li\n0.373384 0.476760 0.935350 Li\n0.867937 0.003647 0.935895 Li\n0.867937 0.496353 0.935895 Li\n0.357296 0.166413 0.961592 Li\n0.357296 0.333587 0.961592 Li\n0.999435 0.125525 0.970689 Li\n0.999435 0.374475 0.970689 Li\n0.656352 0.113728 0.994665 Li\n0.656352 0.386272 0.994665 Li\n0.118929 0.250000 0.005669 Si\n0.612340 0.250000 0.009826 Si\n0.134660 0.750000 0.071345 Si\n0.392486 0.067429 0.111100 Si\n0.392486 0.432571 0.111100 Si\n0.868883 0.063407 0.113539 Si\n0.868883 0.436593 0.113539 Si\n0.379201 0.550345 0.165115 Si\n0.379201 0.949656 0.165115 Si\n0.876413 0.553187 0.166593 Si\n0.876413 0.946814 0.166593 Si\n0.129567 0.750000 0.242747 Si\n0.875600 0.135743 0.249241 Si\n0.875600 0.364257 0.249241 Si\n0.375600 0.135743 0.250758 Si\n0.375600 0.364257 0.250758 Si\n0.629566 0.750000 0.257253 Si\n0.376413 0.553187 0.333407 Si\n0.376413 0.946814 0.333407 Si\n0.879201 0.550345 0.334885 Si\n0.879201 0.949656 0.334885 Si\n0.368883 0.063407 0.386461 Si\n0.368883 0.436593 0.386461 Si\n0.892486 0.067429 0.388900 Si\n0.892486 0.432571 0.388900 Si\n0.634661 0.750000 0.428655 Si\n0.112341 0.250000 0.490174 Si\n0.618929 0.250000 0.494331 Si\n0.381071 0.750000 0.505669 Si\n0.887658 0.750000 0.509826 Si\n0.365340 0.250000 0.571345 Si\n0.107514 0.567429 0.611100 Si\n0.107514 0.932571 0.611100 Si\n0.631117 0.563407 0.613539 Si\n0.631117 0.936593 0.613539 Si\n0.120799 0.050345 0.665115 Si\n0.120799 0.449656 0.665115 Si\n0.623587 0.053187 0.666593 Si\n0.623587 0.446814 0.666593 Si\n0.370433 0.250000 0.742747 Si\n0.624401 0.635744 0.749241 Si\n0.624401 0.864257 0.749241 Si\n0.124401 0.635744 0.750758 Si\n0.124401 0.864257 0.750758 Si\n0.870433 0.250000 0.757253 Si\n0.123587 0.053187 0.833407 Si\n0.123587 0.446814 0.833407 Si\n0.620799 0.050345 0.834885 Si\n0.620799 0.449656 0.834885 Si\n0.131117 0.563407 0.886461 Si\n0.131117 0.936593 0.886461 Si\n0.607514 0.567429 0.888900 Si\n0.607514 0.932571 0.888900 Si\n0.865340 0.250000 0.928655 Si\n0.387658 0.750000 0.990174 Si\n0.881071 0.750000 0.994331 Si\n",
"nsites": 152,
"nelements": 2,
"elements": [
"Li",
"Si"
],
"chemical_system": "Li-Si",
"density": 1.6765163243217769,
"density_atomic": 0.0685368487336509,
"volume": 2217.7850719502007,
"volume_molar": 8.786719657046604,
"formula_full": "Li96 Si56",
"formula_reduced": "Li12Si7",
"formula_anonymous": "A7B12",
"formation_energy": -0.239554573421053,
"spacegroup": 62
},
{
"id": "oqmd-31722",
"created_at": "2022-09-04T15:15:52.875486Z",
"updated_at": "2022-09-04T15:15:52.875501Z",
"structure_string": "Mg149 C1\n1.0\n13.760980 -7.944909 0.000000\n0.000000 15.889818 0.000000\n0.000000 0.000000 15.557994\nC Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 C\n0.809908 0.001888 0.000000 Mg\n0.191980 0.001888 0.000000 Mg\n0.998112 0.190092 0.000000 Mg\n0.191980 0.190092 0.000000 Mg\n0.397600 0.198800 0.000000 Mg\n0.801200 0.198800 0.000000 Mg\n0.599993 0.199986 0.000000 Mg\n0.198025 0.396051 0.000000 Mg\n0.398878 0.398964 0.000000 Mg\n0.000000 0.398964 0.000000 Mg\n0.599993 0.400007 0.000000 Mg\n0.800014 0.400007 0.000000 Mg\n0.199781 0.599890 0.000000 Mg\n0.400110 0.599891 0.000000 Mg\n0.601036 0.601122 0.000000 Mg\n0.000000 0.601122 0.000000 Mg\n0.801200 0.602400 0.000000 Mg\n0.400110 0.800219 0.000000 Mg\n0.603949 0.801975 0.000000 Mg\n0.198025 0.801975 0.000000 Mg\n0.809908 0.808020 0.000000 Mg\n0.998112 0.808021 0.000000 Mg\n0.398878 0.000000 0.000000 Mg\n0.601036 0.000000 0.000000 Mg\n0.063533 0.127067 0.158792 Mg\n0.063533 0.936467 0.158792 Mg\n0.872933 0.936467 0.158792 Mg\n0.065524 0.330274 0.165232 Mg\n0.264751 0.330274 0.165232 Mg\n0.669726 0.735249 0.165232 Mg\n0.065524 0.735249 0.165232 Mg\n0.669726 0.934476 0.165232 Mg\n0.264751 0.934476 0.165232 Mg\n0.266061 0.532123 0.165575 Mg\n0.266061 0.733939 0.165575 Mg\n0.467877 0.733939 0.165575 Mg\n0.466787 0.533213 0.165939 Mg\n0.066426 0.533213 0.165939 Mg\n0.466787 0.933575 0.165939 Mg\n0.466625 0.133359 0.166235 Mg\n0.666734 0.133359 0.166235 Mg\n0.866641 0.333267 0.166235 Mg\n0.466625 0.333267 0.166235 Mg\n0.866641 0.533375 0.166235 Mg\n0.666734 0.533375 0.166235 Mg\n0.666667 0.333333 0.166281 Mg\n0.866470 0.133530 0.166930 Mg\n0.267061 0.133530 0.166930 Mg\n0.866470 0.732939 0.166930 Mg\n0.000000 0.000000 0.329951 Mg\n0.000371 0.199070 0.332184 Mg\n0.198699 0.199070 0.332184 Mg\n0.800930 0.801301 0.332184 Mg\n0.000371 0.801301 0.332184 Mg\n0.800930 0.999629 0.332184 Mg\n0.198699 0.999629 0.332184 Mg\n0.199694 0.399388 0.332420 Mg\n0.199694 0.800306 0.332420 Mg\n0.600612 0.800306 0.332420 Mg\n0.399980 0.600019 0.332669 Mg\n0.200039 0.600019 0.332669 Mg\n0.399980 0.799960 0.332669 Mg\n0.000303 0.399704 0.332689 Mg\n0.399400 0.399704 0.332689 Mg\n0.600296 0.600599 0.332689 Mg\n0.000303 0.600600 0.332689 Mg\n0.399400 0.999697 0.332689 Mg\n0.600296 0.999697 0.332689 Mg\n0.599898 0.199798 0.333019 Mg\n0.599898 0.400101 0.333019 Mg\n0.800202 0.400101 0.333019 Mg\n0.800312 0.199688 0.333135 Mg\n0.399376 0.199688 0.333135 Mg\n0.800312 0.600624 0.333135 Mg\n0.066346 0.132693 0.500000 Mg\n0.466480 0.133093 0.500000 Mg\n0.666613 0.133093 0.500000 Mg\n0.866899 0.133101 0.500000 Mg\n0.266203 0.133101 0.500000 Mg\n0.266161 0.332567 0.500000 Mg\n0.066406 0.332567 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866907 0.333387 0.500000 Mg\n0.466480 0.333387 0.500000 Mg\n0.266533 0.533067 0.500000 Mg\n0.466600 0.533399 0.500000 Mg\n0.066799 0.533400 0.500000 Mg\n0.866907 0.533520 0.500000 Mg\n0.666613 0.533520 0.500000 Mg\n0.466933 0.733467 0.500000 Mg\n0.266533 0.733467 0.500000 Mg\n0.866899 0.733798 0.500000 Mg\n0.667433 0.733839 0.500000 Mg\n0.066406 0.733839 0.500000 Mg\n0.466600 0.933201 0.500000 Mg\n0.667433 0.933594 0.500000 Mg\n0.266161 0.933595 0.500000 Mg\n0.066346 0.933654 0.500000 Mg\n0.867307 0.933654 0.500000 Mg\n0.800312 0.199688 0.666866 Mg\n0.399376 0.199688 0.666866 Mg\n0.800312 0.600624 0.666866 Mg\n0.599898 0.199798 0.666981 Mg\n0.599898 0.400101 0.666981 Mg\n0.800202 0.400101 0.666981 Mg\n0.000303 0.399704 0.667310 Mg\n0.399400 0.399704 0.667310 Mg\n0.600296 0.600599 0.667310 Mg\n0.000303 0.600600 0.667310 Mg\n0.399400 0.999697 0.667310 Mg\n0.600296 0.999697 0.667310 Mg\n0.399980 0.600019 0.667330 Mg\n0.200039 0.600019 0.667330 Mg\n0.399980 0.799960 0.667330 Mg\n0.199694 0.399388 0.667580 Mg\n0.199694 0.800306 0.667580 Mg\n0.600612 0.800306 0.667580 Mg\n0.000371 0.199070 0.667816 Mg\n0.198699 0.199070 0.667816 Mg\n0.800930 0.801301 0.667816 Mg\n0.000371 0.801301 0.667816 Mg\n0.800930 0.999629 0.667816 Mg\n0.198699 0.999629 0.667816 Mg\n0.000000 0.000000 0.670049 Mg\n0.866470 0.133530 0.833070 Mg\n0.267061 0.133530 0.833070 Mg\n0.866470 0.732939 0.833070 Mg\n0.666667 0.333333 0.833719 Mg\n0.466625 0.133359 0.833764 Mg\n0.666734 0.133359 0.833764 Mg\n0.866641 0.333267 0.833764 Mg\n0.466625 0.333267 0.833764 Mg\n0.866641 0.533375 0.833764 Mg\n0.666734 0.533375 0.833764 Mg\n0.466787 0.533213 0.834061 Mg\n0.066426 0.533213 0.834061 Mg\n0.466787 0.933575 0.834061 Mg\n0.266061 0.532123 0.834426 Mg\n0.266061 0.733939 0.834426 Mg\n0.467877 0.733939 0.834426 Mg\n0.065524 0.330274 0.834768 Mg\n0.264751 0.330274 0.834768 Mg\n0.669726 0.735249 0.834768 Mg\n0.065524 0.735249 0.834768 Mg\n0.669726 0.934476 0.834768 Mg\n0.264751 0.934476 0.834768 Mg\n0.063533 0.127067 0.841208 Mg\n0.063533 0.936467 0.841208 Mg\n0.872933 0.936467 0.841208 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"C",
"Mg"
],
"chemical_system": "C-Mg",
"density": 1.7735648819330476,
"density_atomic": 0.044092972028052804,
"volume": 3401.9026865453093,
"volume_molar": 13.65782455346534,
"formula_full": "Mg149 C1",
"formula_reduced": "Mg149C",
"formula_anonymous": "AB149",
"formation_energy": 0.0298131786444412,
"spacegroup": 187
},
{
"id": "oqmd-31773",
"created_at": "2022-09-04T14:49:01.820302Z",
"updated_at": "2022-09-04T14:49:01.820327Z",
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"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"S"
],
"chemical_system": "Mg-S",
"density": 1.7738177811859643,
"density_atomic": 0.04385719635877946,
"volume": 3420.191267424065,
"volume_molar": 13.731248825700348,
"formula_full": "Mg149 S1",
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"formula_anonymous": "AB149",
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"spacegroup": 187
},
{
"id": "oqmd-31723",
"created_at": "2022-09-04T14:49:02.854846Z",
"updated_at": "2022-09-04T14:49:02.854875Z",
"structure_string": "Ca1 Mg149\n1.0\n13.814631 -7.975885 0.000000\n0.000000 15.951769 0.000000\n0.000000 0.000000 15.652889\nCa Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ca\n0.600088 0.200176 0.000000 Mg\n0.400808 0.200404 0.000000 Mg\n0.799596 0.200404 0.000000 Mg\n0.002482 0.206320 0.000000 Mg\n0.203838 0.206320 0.000000 Mg\n0.600088 0.399912 0.000000 Mg\n0.799824 0.399912 0.000000 Mg\n0.000250 0.401010 0.000000 Mg\n0.400761 0.401011 0.000000 Mg\n0.201555 0.403110 0.000000 Mg\n0.799596 0.599192 0.000000 Mg\n0.000250 0.599239 0.000000 Mg\n0.598990 0.599240 0.000000 Mg\n0.200567 0.600283 0.000000 Mg\n0.399717 0.600284 0.000000 Mg\n0.793680 0.796162 0.000000 Mg\n0.002482 0.796162 0.000000 Mg\n0.596890 0.798445 0.000000 Mg\n0.201555 0.798445 0.000000 Mg\n0.399717 0.799433 0.000000 Mg\n0.793680 0.997517 0.000000 Mg\n0.203838 0.997518 0.000000 Mg\n0.400761 0.999750 0.000000 Mg\n0.598990 0.999750 0.000000 Mg\n0.264186 0.132093 0.165185 Mg\n0.867907 0.132093 0.165185 Mg\n0.867907 0.735814 0.165185 Mg\n0.666666 0.333333 0.166348 Mg\n0.465883 0.132984 0.166548 Mg\n0.667101 0.132984 0.166548 Mg\n0.465883 0.332899 0.166548 Mg\n0.867016 0.332899 0.166548 Mg\n0.667101 0.534117 0.166548 Mg\n0.867016 0.534117 0.166548 Mg\n0.066630 0.533315 0.167319 Mg\n0.466685 0.533315 0.167319 Mg\n0.466685 0.933370 0.167319 Mg\n0.267077 0.534154 0.167392 Mg\n0.465847 0.732923 0.167392 Mg\n0.267077 0.732923 0.167392 Mg\n0.267900 0.335532 0.167692 Mg\n0.067633 0.335533 0.167692 Mg\n0.067633 0.732100 0.167692 Mg\n0.664468 0.732100 0.167692 Mg\n0.267900 0.932368 0.167692 Mg\n0.664468 0.932368 0.167692 Mg\n0.068313 0.136626 0.170712 Mg\n0.863374 0.931687 0.170712 Mg\n0.068313 0.931687 0.170712 Mg\n0.399956 0.199978 0.332904 Mg\n0.800022 0.199979 0.332904 Mg\n0.800022 0.600043 0.332904 Mg\n0.600086 0.200171 0.333036 Mg\n0.799829 0.399914 0.333036 Mg\n0.600086 0.399914 0.333036 Mg\n0.400465 0.000235 0.333777 Mg\n0.599769 0.000235 0.333777 Mg\n0.400465 0.400231 0.333777 Mg\n0.999765 0.400231 0.333777 Mg\n0.999765 0.599534 0.333777 Mg\n0.599769 0.599534 0.333777 Mg\n0.199967 0.599983 0.333816 Mg\n0.400016 0.599983 0.333816 Mg\n0.400016 0.800033 0.333816 Mg\n0.200242 0.400484 0.334016 Mg\n0.599517 0.799758 0.334016 Mg\n0.200242 0.799758 0.334016 Mg\n0.799400 0.000157 0.334031 Mg\n0.200758 0.000158 0.334031 Mg\n0.999842 0.200600 0.334031 Mg\n0.200758 0.200601 0.334031 Mg\n0.999842 0.799242 0.334031 Mg\n0.799400 0.799242 0.334031 Mg\n0.000000 0.000000 0.334221 Mg\n0.066771 0.133543 0.500000 Mg\n0.866449 0.133550 0.500000 Mg\n0.267101 0.133550 0.500000 Mg\n0.467013 0.133933 0.500000 Mg\n0.666920 0.133933 0.500000 Mg\n0.467013 0.333080 0.500000 Mg\n0.866067 0.333080 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266905 0.333723 0.500000 Mg\n0.066818 0.333723 0.500000 Mg\n0.866067 0.532987 0.500000 Mg\n0.666920 0.532987 0.500000 Mg\n0.066517 0.533258 0.500000 Mg\n0.466741 0.533258 0.500000 Mg\n0.266808 0.533617 0.500000 Mg\n0.866449 0.732899 0.500000 Mg\n0.666278 0.733094 0.500000 Mg\n0.066818 0.733095 0.500000 Mg\n0.466383 0.733191 0.500000 Mg\n0.266808 0.733192 0.500000 Mg\n0.266905 0.933183 0.500000 Mg\n0.666278 0.933183 0.500000 Mg\n0.866457 0.933228 0.500000 Mg\n0.066771 0.933229 0.500000 Mg\n0.466741 0.933483 0.500000 Mg\n0.000000 0.000000 0.665779 Mg\n0.799400 0.000157 0.665969 Mg\n0.200758 0.000158 0.665969 Mg\n0.999842 0.200600 0.665969 Mg\n0.200758 0.200601 0.665969 Mg\n0.999842 0.799242 0.665969 Mg\n0.799400 0.799242 0.665969 Mg\n0.200242 0.400484 0.665984 Mg\n0.599517 0.799758 0.665984 Mg\n0.200242 0.799758 0.665984 Mg\n0.199967 0.599983 0.666184 Mg\n0.400016 0.599983 0.666184 Mg\n0.400016 0.800033 0.666184 Mg\n0.400465 0.000235 0.666223 Mg\n0.599769 0.000235 0.666223 Mg\n0.400465 0.400231 0.666223 Mg\n0.999765 0.400231 0.666223 Mg\n0.999765 0.599534 0.666223 Mg\n0.599769 0.599534 0.666223 Mg\n0.600086 0.200171 0.666964 Mg\n0.799829 0.399914 0.666964 Mg\n0.600086 0.399914 0.666964 Mg\n0.399956 0.199978 0.667095 Mg\n0.800022 0.199979 0.667095 Mg\n0.800022 0.600043 0.667095 Mg\n0.068313 0.136626 0.829288 Mg\n0.863374 0.931687 0.829288 Mg\n0.068313 0.931687 0.829288 Mg\n0.267900 0.335532 0.832308 Mg\n0.067633 0.335533 0.832308 Mg\n0.067633 0.732100 0.832308 Mg\n0.664468 0.732100 0.832308 Mg\n0.267900 0.932368 0.832308 Mg\n0.664468 0.932368 0.832308 Mg\n0.267077 0.534154 0.832608 Mg\n0.465847 0.732923 0.832608 Mg\n0.267077 0.732923 0.832608 Mg\n0.066630 0.533315 0.832681 Mg\n0.466685 0.533315 0.832681 Mg\n0.466685 0.933370 0.832681 Mg\n0.465883 0.132984 0.833453 Mg\n0.667101 0.132984 0.833453 Mg\n0.465883 0.332899 0.833453 Mg\n0.867016 0.332899 0.833453 Mg\n0.667101 0.534117 0.833453 Mg\n0.867016 0.534117 0.833453 Mg\n0.666666 0.333333 0.833652 Mg\n0.264186 0.132093 0.834815 Mg\n0.867907 0.132093 0.834815 Mg\n0.867907 0.735814 0.834815 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7626586537172648,
"density_atomic": 0.04348591499296512,
"volume": 3449.392752211056,
"volume_molar": 13.84848579355919,
"formula_full": "Ca1 Mg149",
"formula_reduced": "CaMg149",
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"spacegroup": 187
},
{
"id": "oqmd-31790",
"created_at": "2022-09-04T14:49:01.937944Z",
"updated_at": "2022-09-04T14:49:01.937969Z",
"structure_string": "Mg149 V1\n1.0\n13.789439 -7.961341 0.000000\n0.000000 15.922681 0.000000\n0.000000 0.000000 15.587030\nMg V\n149 1\ndirect\n0.601626 0.000211 0.000000 Mg\n0.398586 0.000212 0.000000 Mg\n0.805098 0.000281 0.000000 Mg\n0.195184 0.000282 0.000000 Mg\n0.195184 0.194902 0.000000 Mg\n0.999719 0.194903 0.000000 Mg\n0.599816 0.199632 0.000000 Mg\n0.800222 0.199778 0.000000 Mg\n0.399557 0.199778 0.000000 Mg\n0.398586 0.398375 0.000000 Mg\n0.999789 0.398375 0.000000 Mg\n0.199506 0.399012 0.000000 Mg\n0.599816 0.400183 0.000000 Mg\n0.800368 0.400184 0.000000 Mg\n0.400076 0.599924 0.000000 Mg\n0.199849 0.599924 0.000000 Mg\n0.800222 0.600444 0.000000 Mg\n0.601626 0.601414 0.000000 Mg\n0.999789 0.601415 0.000000 Mg\n0.400076 0.800152 0.000000 Mg\n0.600987 0.800494 0.000000 Mg\n0.199506 0.800494 0.000000 Mg\n0.805098 0.804816 0.000000 Mg\n0.999719 0.804816 0.000000 Mg\n0.064973 0.129946 0.162330 Mg\n0.064973 0.935027 0.162330 Mg\n0.870054 0.935027 0.162330 Mg\n0.266019 0.332633 0.166297 Mg\n0.066614 0.332633 0.166297 Mg\n0.667367 0.733981 0.166297 Mg\n0.066614 0.733982 0.166297 Mg\n0.266019 0.933386 0.166297 Mg\n0.667367 0.933386 0.166297 Mg\n0.066612 0.533306 0.166361 Mg\n0.466694 0.533306 0.166361 Mg\n0.466694 0.933388 0.166361 Mg\n0.267138 0.133569 0.166514 Mg\n0.866431 0.133569 0.166514 Mg\n0.866431 0.732862 0.166514 Mg\n0.266611 0.533221 0.166617 Mg\n0.466779 0.733389 0.166617 Mg\n0.266611 0.733390 0.166617 Mg\n0.666667 0.333333 0.166657 Mg\n0.466634 0.133392 0.166719 Mg\n0.666759 0.133392 0.166719 Mg\n0.466634 0.333242 0.166719 Mg\n0.866608 0.333242 0.166719 Mg\n0.866608 0.533366 0.166719 Mg\n0.666759 0.533366 0.166719 Mg\n0.199240 0.199465 0.332016 Mg\n0.000226 0.199466 0.332016 Mg\n0.000226 0.800760 0.332016 Mg\n0.800535 0.800760 0.332016 Mg\n0.800535 0.999775 0.332016 Mg\n0.199240 0.999775 0.332016 Mg\n0.000000 0.000000 0.332877 Mg\n0.000000 0.399802 0.333067 Mg\n0.399749 0.399802 0.333067 Mg\n0.000000 0.600252 0.333067 Mg\n0.600198 0.600252 0.333067 Mg\n0.600198 0.000000 0.333067 Mg\n0.399749 0.000000 0.333067 Mg\n0.200039 0.400078 0.333344 Mg\n0.599921 0.799961 0.333344 Mg\n0.200039 0.799961 0.333344 Mg\n0.599960 0.199920 0.333369 Mg\n0.800080 0.400040 0.333369 Mg\n0.599960 0.400040 0.333369 Mg\n0.200032 0.600016 0.333473 Mg\n0.399984 0.600016 0.333473 Mg\n0.399984 0.799968 0.333473 Mg\n0.800046 0.199953 0.333474 Mg\n0.399907 0.199954 0.333474 Mg\n0.800046 0.600093 0.333474 Mg\n0.266206 0.133103 0.500000 Mg\n0.866897 0.133103 0.500000 Mg\n0.066554 0.133108 0.500000 Mg\n0.466764 0.133559 0.500000 Mg\n0.666796 0.133560 0.500000 Mg\n0.066423 0.332900 0.500000 Mg\n0.266478 0.332901 0.500000 Mg\n0.466764 0.333204 0.500000 Mg\n0.866441 0.333205 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266561 0.533121 0.500000 Mg\n0.466810 0.533190 0.500000 Mg\n0.066381 0.533190 0.500000 Mg\n0.666796 0.533236 0.500000 Mg\n0.866441 0.533236 0.500000 Mg\n0.466878 0.733439 0.500000 Mg\n0.266561 0.733439 0.500000 Mg\n0.667100 0.733522 0.500000 Mg\n0.066423 0.733522 0.500000 Mg\n0.866897 0.733795 0.500000 Mg\n0.066554 0.933446 0.500000 Mg\n0.866892 0.933446 0.500000 Mg\n0.266478 0.933577 0.500000 Mg\n0.667100 0.933578 0.500000 Mg\n0.466810 0.933620 0.500000 Mg\n0.800046 0.199953 0.666526 Mg\n0.399907 0.199954 0.666526 Mg\n0.800046 0.600093 0.666526 Mg\n0.200032 0.600016 0.666527 Mg\n0.399984 0.600016 0.666527 Mg\n0.399984 0.799968 0.666527 Mg\n0.599960 0.199920 0.666631 Mg\n0.800080 0.400040 0.666631 Mg\n0.599960 0.400040 0.666631 Mg\n0.200039 0.400078 0.666656 Mg\n0.599921 0.799961 0.666656 Mg\n0.200039 0.799961 0.666656 Mg\n0.000000 0.399802 0.666933 Mg\n0.399749 0.399802 0.666933 Mg\n0.000000 0.600252 0.666933 Mg\n0.600198 0.600252 0.666933 Mg\n0.600198 0.000000 0.666933 Mg\n0.399749 0.000000 0.666933 Mg\n0.000000 0.000000 0.667123 Mg\n0.199240 0.199465 0.667984 Mg\n0.000226 0.199466 0.667984 Mg\n0.000226 0.800760 0.667984 Mg\n0.800535 0.800760 0.667984 Mg\n0.800535 0.999775 0.667984 Mg\n0.199240 0.999775 0.667984 Mg\n0.466634 0.133392 0.833281 Mg\n0.666759 0.133392 0.833281 Mg\n0.466634 0.333242 0.833281 Mg\n0.866608 0.333242 0.833281 Mg\n0.866608 0.533366 0.833281 Mg\n0.666759 0.533366 0.833281 Mg\n0.666667 0.333333 0.833343 Mg\n0.266611 0.533221 0.833383 Mg\n0.466779 0.733389 0.833383 Mg\n0.266611 0.733390 0.833383 Mg\n0.267138 0.133569 0.833486 Mg\n0.866431 0.133569 0.833486 Mg\n0.866431 0.732862 0.833486 Mg\n0.066612 0.533306 0.833639 Mg\n0.466694 0.533306 0.833639 Mg\n0.466694 0.933388 0.833639 Mg\n0.266019 0.332633 0.833703 Mg\n0.066614 0.332633 0.833703 Mg\n0.667367 0.733981 0.833703 Mg\n0.066614 0.733982 0.833703 Mg\n0.266019 0.933386 0.833703 Mg\n0.667367 0.933386 0.833703 Mg\n0.064973 0.129946 0.837670 Mg\n0.064973 0.935027 0.837670 Mg\n0.870054 0.935027 0.837670 Mg\n0.000000 0.000000 0.000000 V\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"V"
],
"chemical_system": "Mg-V",
"density": 1.781850716425658,
"density_atomic": 0.04382935659684952,
"volume": 3422.3637225553543,
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"formula_full": "Mg149 V1",
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{
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"nsites": 150,
"nelements": 2,
"elements": [
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"chemical_system": "Eu-Mg",
"density": 1.8139081857510624,
"density_atomic": 0.04342337561638862,
"volume": 3454.3606495527215,
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{
"id": "oqmd-31729",
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"updated_at": "2022-09-04T14:49:02.081029Z",
"structure_string": "Cs1 Mg149\n1.0\n13.844869 -7.993343 0.000000\n0.000000 15.986685 0.000000\n0.000000 0.000000 15.686338\nCs Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cs\n0.600500 0.201001 0.000000 Mg\n0.402572 0.201286 0.000000 Mg\n0.798714 0.201287 0.000000 Mg\n0.002068 0.213969 0.000000 Mg\n0.211901 0.213969 0.000000 Mg\n0.600500 0.399499 0.000000 Mg\n0.798999 0.399499 0.000000 Mg\n0.403038 0.403707 0.000000 Mg\n0.000669 0.403707 0.000000 Mg\n0.202089 0.404177 0.000000 Mg\n0.596293 0.596962 0.000000 Mg\n0.000669 0.596962 0.000000 Mg\n0.798714 0.597427 0.000000 Mg\n0.201366 0.600683 0.000000 Mg\n0.399317 0.600683 0.000000 Mg\n0.002068 0.788099 0.000000 Mg\n0.786031 0.788099 0.000000 Mg\n0.595823 0.797911 0.000000 Mg\n0.202089 0.797912 0.000000 Mg\n0.399317 0.798634 0.000000 Mg\n0.211901 0.997932 0.000000 Mg\n0.786031 0.997932 0.000000 Mg\n0.403038 0.999331 0.000000 Mg\n0.596293 0.999331 0.000000 Mg\n0.262818 0.131409 0.165217 Mg\n0.868591 0.131409 0.165217 Mg\n0.868591 0.737182 0.165217 Mg\n0.666666 0.333333 0.166189 Mg\n0.465650 0.132846 0.166381 Mg\n0.667195 0.132846 0.166381 Mg\n0.465650 0.332805 0.166381 Mg\n0.867154 0.332805 0.166381 Mg\n0.867154 0.534349 0.166381 Mg\n0.667195 0.534349 0.166381 Mg\n0.267186 0.534371 0.167323 Mg\n0.465628 0.732814 0.167323 Mg\n0.267186 0.732814 0.167323 Mg\n0.466532 0.533467 0.167949 Mg\n0.066935 0.533467 0.167949 Mg\n0.466532 0.933065 0.167949 Mg\n0.268949 0.336644 0.168103 Mg\n0.067695 0.336645 0.168103 Mg\n0.663356 0.731050 0.168103 Mg\n0.067695 0.731050 0.168103 Mg\n0.268949 0.932305 0.168103 Mg\n0.663356 0.932305 0.168103 Mg\n0.071074 0.142148 0.177336 Mg\n0.857852 0.928926 0.177336 Mg\n0.071074 0.928926 0.177336 Mg\n0.400041 0.200020 0.332548 Mg\n0.799980 0.200021 0.332548 Mg\n0.799980 0.599960 0.332548 Mg\n0.600092 0.200183 0.332911 Mg\n0.799816 0.399908 0.332911 Mg\n0.600092 0.399908 0.332911 Mg\n0.199996 0.599998 0.333657 Mg\n0.400002 0.599998 0.333657 Mg\n0.400002 0.800004 0.333657 Mg\n0.199997 0.399994 0.333725 Mg\n0.600006 0.800003 0.333725 Mg\n0.199997 0.800003 0.333725 Mg\n0.400808 0.000250 0.333954 Mg\n0.599442 0.000250 0.333954 Mg\n0.400808 0.400558 0.333954 Mg\n0.999749 0.400558 0.333954 Mg\n0.999749 0.599191 0.333954 Mg\n0.599442 0.599191 0.333954 Mg\n0.000000 0.000000 0.334043 Mg\n0.202064 0.000731 0.336077 Mg\n0.798667 0.000731 0.336077 Mg\n0.202064 0.201333 0.336077 Mg\n0.999269 0.201333 0.336077 Mg\n0.798667 0.797936 0.336077 Mg\n0.999269 0.797936 0.336077 Mg\n0.066690 0.133379 0.500000 Mg\n0.866239 0.133761 0.500000 Mg\n0.267522 0.133761 0.500000 Mg\n0.466993 0.133943 0.500000 Mg\n0.666950 0.133944 0.500000 Mg\n0.466993 0.333049 0.500000 Mg\n0.866057 0.333050 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.067153 0.334238 0.500000 Mg\n0.267085 0.334238 0.500000 Mg\n0.866057 0.533007 0.500000 Mg\n0.666950 0.533007 0.500000 Mg\n0.066696 0.533348 0.500000 Mg\n0.466652 0.533348 0.500000 Mg\n0.266855 0.533710 0.500000 Mg\n0.866239 0.732478 0.500000 Mg\n0.067153 0.732915 0.500000 Mg\n0.665762 0.732915 0.500000 Mg\n0.466290 0.733145 0.500000 Mg\n0.266855 0.733145 0.500000 Mg\n0.267085 0.932847 0.500000 Mg\n0.665762 0.932847 0.500000 Mg\n0.466652 0.933303 0.500000 Mg\n0.866621 0.933310 0.500000 Mg\n0.066690 0.933311 0.500000 Mg\n0.202064 0.000731 0.663923 Mg\n0.798667 0.000731 0.663923 Mg\n0.202064 0.201333 0.663923 Mg\n0.999269 0.201333 0.663923 Mg\n0.798667 0.797936 0.663923 Mg\n0.999269 0.797936 0.663923 Mg\n0.000000 0.000000 0.665957 Mg\n0.400808 0.000250 0.666046 Mg\n0.599442 0.000250 0.666046 Mg\n0.400808 0.400558 0.666046 Mg\n0.999749 0.400558 0.666046 Mg\n0.999749 0.599191 0.666046 Mg\n0.599442 0.599191 0.666046 Mg\n0.199997 0.399994 0.666275 Mg\n0.600006 0.800003 0.666275 Mg\n0.199997 0.800003 0.666275 Mg\n0.199996 0.599998 0.666342 Mg\n0.400002 0.599998 0.666342 Mg\n0.400002 0.800004 0.666342 Mg\n0.600092 0.200183 0.667089 Mg\n0.799816 0.399908 0.667089 Mg\n0.600092 0.399908 0.667089 Mg\n0.400041 0.200020 0.667452 Mg\n0.799980 0.200021 0.667452 Mg\n0.799980 0.599960 0.667452 Mg\n0.071074 0.142148 0.822664 Mg\n0.857852 0.928926 0.822664 Mg\n0.071074 0.928926 0.822664 Mg\n0.268949 0.336644 0.831897 Mg\n0.067695 0.336645 0.831897 Mg\n0.663356 0.731050 0.831897 Mg\n0.067695 0.731050 0.831897 Mg\n0.268949 0.932305 0.831897 Mg\n0.663356 0.932305 0.831897 Mg\n0.466532 0.533467 0.832051 Mg\n0.066935 0.533467 0.832051 Mg\n0.466532 0.933065 0.832051 Mg\n0.267186 0.534371 0.832677 Mg\n0.465628 0.732814 0.832677 Mg\n0.267186 0.732814 0.832677 Mg\n0.465650 0.132846 0.833619 Mg\n0.667195 0.132846 0.833619 Mg\n0.465650 0.332805 0.833619 Mg\n0.867154 0.332805 0.833619 Mg\n0.867154 0.534349 0.833619 Mg\n0.667195 0.534349 0.833619 Mg\n0.666666 0.333333 0.833812 Mg\n0.262818 0.131409 0.834783 Mg\n0.868591 0.131409 0.834783 Mg\n0.868591 0.737182 0.834783 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cs-Mg",
"density": 1.7956226288325319,
"density_atomic": 0.043203847236484676,
"volume": 3471.913026146625,
"volume_molar": 13.938899299955024,
"formula_full": "Cs1 Mg149",
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},
{
"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",
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"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-31712",
"created_at": "2022-09-04T14:49:02.371730Z",
"updated_at": "2022-09-04T14:49:02.371755Z",
"structure_string": "Ac1 Mg149\n1.0\n13.842444 -7.991942 0.000000\n0.000000 15.983885 0.000000\n0.000000 0.000000 15.653632\nAc Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ac\n0.600150 0.200300 0.000000 Mg\n0.402081 0.201041 0.000000 Mg\n0.798959 0.201041 0.000000 Mg\n0.207112 0.211255 0.000000 Mg\n0.004144 0.211256 0.000000 Mg\n0.600150 0.399850 0.000000 Mg\n0.799700 0.399850 0.000000 Mg\n0.401527 0.401939 0.000000 Mg\n0.000411 0.401939 0.000000 Mg\n0.202370 0.404739 0.000000 Mg\n0.798959 0.597918 0.000000 Mg\n0.598061 0.598472 0.000000 Mg\n0.000411 0.598472 0.000000 Mg\n0.399517 0.600483 0.000000 Mg\n0.200966 0.600483 0.000000 Mg\n0.004144 0.792888 0.000000 Mg\n0.788744 0.792889 0.000000 Mg\n0.595261 0.797630 0.000000 Mg\n0.202370 0.797631 0.000000 Mg\n0.399517 0.799034 0.000000 Mg\n0.788744 0.995856 0.000000 Mg\n0.207112 0.995856 0.000000 Mg\n0.401527 0.999588 0.000000 Mg\n0.598061 0.999589 0.000000 Mg\n0.869106 0.130893 0.163969 Mg\n0.261788 0.130894 0.163969 Mg\n0.869106 0.738213 0.163969 Mg\n0.666667 0.333333 0.166198 Mg\n0.667483 0.132707 0.166414 Mg\n0.465223 0.132707 0.166414 Mg\n0.867293 0.332517 0.166414 Mg\n0.465223 0.332517 0.166414 Mg\n0.667483 0.534777 0.166414 Mg\n0.867293 0.534777 0.166414 Mg\n0.267308 0.534617 0.167538 Mg\n0.465382 0.732691 0.167538 Mg\n0.267308 0.732691 0.167538 Mg\n0.066758 0.533379 0.167622 Mg\n0.466621 0.533379 0.167622 Mg\n0.466621 0.933242 0.167622 Mg\n0.268886 0.337036 0.168164 Mg\n0.068151 0.337037 0.168164 Mg\n0.662963 0.731114 0.168164 Mg\n0.068151 0.731114 0.168164 Mg\n0.268886 0.931849 0.168164 Mg\n0.662963 0.931849 0.168164 Mg\n0.070013 0.140026 0.174404 Mg\n0.859974 0.929987 0.174404 Mg\n0.070013 0.929987 0.174404 Mg\n0.399830 0.199915 0.332595 Mg\n0.800085 0.199915 0.332595 Mg\n0.800085 0.600170 0.332595 Mg\n0.600087 0.200173 0.332845 Mg\n0.799826 0.399913 0.332845 Mg\n0.600087 0.399913 0.332845 Mg\n0.200063 0.600031 0.333839 Mg\n0.399968 0.600031 0.333839 Mg\n0.399968 0.799937 0.333839 Mg\n0.400696 0.000248 0.333882 Mg\n0.599552 0.000248 0.333882 Mg\n0.999752 0.400448 0.333882 Mg\n0.400696 0.400448 0.333882 Mg\n0.599552 0.599304 0.333882 Mg\n0.999752 0.599304 0.333882 Mg\n0.200227 0.400453 0.334147 Mg\n0.599547 0.799773 0.334147 Mg\n0.200227 0.799773 0.334147 Mg\n0.000000 0.000000 0.334692 Mg\n0.201462 0.000460 0.334818 Mg\n0.798998 0.000460 0.334818 Mg\n0.999540 0.201002 0.334818 Mg\n0.201462 0.201003 0.334818 Mg\n0.798998 0.798538 0.334818 Mg\n0.999540 0.798538 0.334818 Mg\n0.066778 0.133555 0.500000 Mg\n0.267165 0.133582 0.500000 Mg\n0.866418 0.133583 0.500000 Mg\n0.667112 0.134221 0.500000 Mg\n0.467109 0.134221 0.500000 Mg\n0.467109 0.332888 0.500000 Mg\n0.865778 0.332888 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066896 0.333910 0.500000 Mg\n0.267015 0.333911 0.500000 Mg\n0.865778 0.532891 0.500000 Mg\n0.667112 0.532891 0.500000 Mg\n0.466824 0.533175 0.500000 Mg\n0.066351 0.533175 0.500000 Mg\n0.266788 0.533576 0.500000 Mg\n0.866418 0.732835 0.500000 Mg\n0.066896 0.732985 0.500000 Mg\n0.666090 0.732985 0.500000 Mg\n0.466424 0.733212 0.500000 Mg\n0.266788 0.733212 0.500000 Mg\n0.267015 0.933104 0.500000 Mg\n0.666090 0.933104 0.500000 Mg\n0.866445 0.933222 0.500000 Mg\n0.066778 0.933222 0.500000 Mg\n0.466824 0.933649 0.500000 Mg\n0.201462 0.000460 0.665182 Mg\n0.798998 0.000460 0.665182 Mg\n0.999540 0.201002 0.665182 Mg\n0.201462 0.201003 0.665182 Mg\n0.798998 0.798538 0.665182 Mg\n0.999540 0.798538 0.665182 Mg\n0.000000 0.000000 0.665308 Mg\n0.200227 0.400453 0.665853 Mg\n0.599547 0.799773 0.665853 Mg\n0.200227 0.799773 0.665853 Mg\n0.400696 0.000248 0.666118 Mg\n0.599552 0.000248 0.666118 Mg\n0.999752 0.400448 0.666118 Mg\n0.400696 0.400448 0.666118 Mg\n0.599552 0.599304 0.666118 Mg\n0.999752 0.599304 0.666118 Mg\n0.200063 0.600031 0.666161 Mg\n0.399968 0.600031 0.666161 Mg\n0.399968 0.799937 0.666161 Mg\n0.600087 0.200173 0.667154 Mg\n0.799826 0.399913 0.667154 Mg\n0.600087 0.399913 0.667154 Mg\n0.399830 0.199915 0.667405 Mg\n0.800085 0.199915 0.667405 Mg\n0.800085 0.600170 0.667405 Mg\n0.070013 0.140026 0.825596 Mg\n0.859974 0.929987 0.825596 Mg\n0.070013 0.929987 0.825596 Mg\n0.268886 0.337036 0.831836 Mg\n0.068151 0.337037 0.831836 Mg\n0.662963 0.731114 0.831836 Mg\n0.068151 0.731114 0.831836 Mg\n0.268886 0.931849 0.831836 Mg\n0.662963 0.931849 0.831836 Mg\n0.066758 0.533379 0.832378 Mg\n0.466621 0.533379 0.832378 Mg\n0.466621 0.933242 0.832378 Mg\n0.267308 0.534617 0.832462 Mg\n0.465382 0.732691 0.832462 Mg\n0.267308 0.732691 0.832462 Mg\n0.667483 0.132707 0.833585 Mg\n0.465223 0.132707 0.833585 Mg\n0.867293 0.332517 0.833585 Mg\n0.465223 0.332517 0.833585 Mg\n0.667483 0.534777 0.833585 Mg\n0.867293 0.534777 0.833585 Mg\n0.666667 0.333333 0.833802 Mg\n0.869106 0.130893 0.836032 Mg\n0.261788 0.130894 0.836032 Mg\n0.869106 0.738213 0.836032 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ac",
"Mg"
],
"chemical_system": "Ac-Mg",
"density": 1.8451179777711153,
"density_atomic": 0.043309285379357604,
"volume": 3463.4605185957216,
"volume_molar": 13.904964506457357,
"formula_full": "Ac1 Mg149",
"formula_reduced": "AcMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.0045959014444412,
"spacegroup": 187
},
{
"id": "oqmd-31784",
"created_at": "2022-09-04T14:49:01.232895Z",
"updated_at": "2022-09-04T14:49:01.232936Z",
"structure_string": "Mg149 Te1\n1.0\n13.800831 -7.967917 0.000000\n0.000000 15.935834 0.000000\n0.000000 0.000000 15.640723\nMg Te\n149 1\ndirect\n0.797733 0.001332 0.000000 Mg\n0.203599 0.001332 0.000000 Mg\n0.400392 0.200196 0.000000 Mg\n0.799804 0.200196 0.000000 Mg\n0.600225 0.200451 0.000000 Mg\n0.998668 0.202266 0.000000 Mg\n0.203599 0.202267 0.000000 Mg\n0.199489 0.398978 0.000000 Mg\n0.799549 0.399774 0.000000 Mg\n0.600225 0.399775 0.000000 Mg\n0.000403 0.401504 0.000000 Mg\n0.401101 0.401504 0.000000 Mg\n0.598496 0.598898 0.000000 Mg\n0.000403 0.598899 0.000000 Mg\n0.799804 0.599608 0.000000 Mg\n0.399874 0.600126 0.000000 Mg\n0.200252 0.600126 0.000000 Mg\n0.797733 0.796401 0.000000 Mg\n0.998668 0.796402 0.000000 Mg\n0.399874 0.799748 0.000000 Mg\n0.199489 0.800511 0.000000 Mg\n0.601023 0.800511 0.000000 Mg\n0.598496 0.999597 0.000000 Mg\n0.401101 0.999598 0.000000 Mg\n0.666666 0.333333 0.166235 Mg\n0.666640 0.133212 0.166260 Mg\n0.466573 0.133212 0.166260 Mg\n0.466573 0.333360 0.166260 Mg\n0.866788 0.333360 0.166260 Mg\n0.666640 0.533427 0.166260 Mg\n0.866788 0.533428 0.166260 Mg\n0.266447 0.532894 0.166356 Mg\n0.467105 0.733553 0.166356 Mg\n0.266447 0.733553 0.166356 Mg\n0.266527 0.332769 0.166417 Mg\n0.066242 0.332770 0.166417 Mg\n0.066242 0.733472 0.166417 Mg\n0.667230 0.733472 0.166417 Mg\n0.667230 0.933757 0.166417 Mg\n0.266527 0.933758 0.166417 Mg\n0.466586 0.533415 0.166761 Mg\n0.066829 0.533415 0.166761 Mg\n0.466586 0.933171 0.166761 Mg\n0.266544 0.133272 0.167248 Mg\n0.866728 0.133273 0.167248 Mg\n0.866728 0.733456 0.167248 Mg\n0.067465 0.134929 0.169476 Mg\n0.067465 0.932536 0.169476 Mg\n0.865071 0.932536 0.169476 Mg\n0.000000 0.000000 0.332611 Mg\n0.199789 0.399577 0.332868 Mg\n0.199789 0.800212 0.332868 Mg\n0.600423 0.800212 0.332868 Mg\n0.800009 0.199991 0.332989 Mg\n0.399982 0.199991 0.332989 Mg\n0.800009 0.600018 0.332989 Mg\n0.600025 0.200051 0.333051 Mg\n0.600025 0.399974 0.333051 Mg\n0.799949 0.399974 0.333051 Mg\n0.200023 0.600012 0.333215 Mg\n0.399988 0.600012 0.333215 Mg\n0.399988 0.799977 0.333215 Mg\n0.400020 0.000000 0.333261 Mg\n0.600030 0.000000 0.333261 Mg\n0.400020 0.399970 0.333261 Mg\n0.000000 0.399970 0.333261 Mg\n0.600030 0.599980 0.333261 Mg\n0.000000 0.599980 0.333261 Mg\n0.799847 0.000121 0.334237 Mg\n0.200275 0.000122 0.334237 Mg\n0.200275 0.200153 0.334237 Mg\n0.999878 0.200153 0.334237 Mg\n0.999878 0.799725 0.334237 Mg\n0.799847 0.799725 0.334237 Mg\n0.066592 0.133183 0.500000 Mg\n0.666582 0.133405 0.500000 Mg\n0.466824 0.133406 0.500000 Mg\n0.266880 0.133440 0.500000 Mg\n0.866559 0.133440 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.866594 0.333418 0.500000 Mg\n0.466824 0.333418 0.500000 Mg\n0.066768 0.333430 0.500000 Mg\n0.266662 0.333430 0.500000 Mg\n0.866594 0.533176 0.500000 Mg\n0.666582 0.533176 0.500000 Mg\n0.466555 0.533445 0.500000 Mg\n0.066889 0.533445 0.500000 Mg\n0.266740 0.533481 0.500000 Mg\n0.866559 0.733119 0.500000 Mg\n0.466519 0.733260 0.500000 Mg\n0.266740 0.733260 0.500000 Mg\n0.666571 0.733338 0.500000 Mg\n0.066768 0.733338 0.500000 Mg\n0.466555 0.933110 0.500000 Mg\n0.666571 0.933233 0.500000 Mg\n0.266662 0.933233 0.500000 Mg\n0.866817 0.933409 0.500000 Mg\n0.066592 0.933409 0.500000 Mg\n0.799847 0.000121 0.665763 Mg\n0.200275 0.000122 0.665763 Mg\n0.200275 0.200153 0.665763 Mg\n0.999878 0.200153 0.665763 Mg\n0.999878 0.799725 0.665763 Mg\n0.799847 0.799725 0.665763 Mg\n0.400020 0.000000 0.666738 Mg\n0.600030 0.000000 0.666738 Mg\n0.400020 0.399970 0.666738 Mg\n0.000000 0.399970 0.666738 Mg\n0.600030 0.599980 0.666738 Mg\n0.000000 0.599980 0.666738 Mg\n0.200023 0.600012 0.666784 Mg\n0.399988 0.600012 0.666784 Mg\n0.399988 0.799977 0.666784 Mg\n0.600025 0.200051 0.666949 Mg\n0.600025 0.399974 0.666949 Mg\n0.799949 0.399974 0.666949 Mg\n0.800009 0.199991 0.667011 Mg\n0.399982 0.199991 0.667011 Mg\n0.800009 0.600018 0.667011 Mg\n0.199789 0.399577 0.667132 Mg\n0.199789 0.800212 0.667132 Mg\n0.600423 0.800212 0.667132 Mg\n0.000000 0.000000 0.667389 Mg\n0.067465 0.134929 0.830524 Mg\n0.067465 0.932536 0.830524 Mg\n0.865071 0.932536 0.830524 Mg\n0.266544 0.133272 0.832752 Mg\n0.866728 0.133273 0.832752 Mg\n0.866728 0.733456 0.832752 Mg\n0.466586 0.533415 0.833239 Mg\n0.066829 0.533415 0.833239 Mg\n0.466586 0.933171 0.833239 Mg\n0.266527 0.332769 0.833582 Mg\n0.066242 0.332770 0.833582 Mg\n0.066242 0.733472 0.833582 Mg\n0.667230 0.733472 0.833582 Mg\n0.667230 0.933757 0.833582 Mg\n0.266527 0.933758 0.833582 Mg\n0.266447 0.532894 0.833644 Mg\n0.467105 0.733553 0.833644 Mg\n0.266447 0.733553 0.833644 Mg\n0.666640 0.133212 0.833741 Mg\n0.466573 0.133212 0.833741 Mg\n0.466573 0.333360 0.833741 Mg\n0.866788 0.333360 0.833741 Mg\n0.666640 0.533427 0.833741 Mg\n0.866788 0.533428 0.833741 Mg\n0.666666 0.333333 0.833765 Mg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Te"
],
"chemical_system": "Mg-Te",
"density": 1.8098096154290595,
"density_atomic": 0.04360681822976932,
"volume": 3439.8290471373725,
"volume_molar": 13.810089808131956,
"formula_full": "Mg149 Te1",
"formula_reduced": "Mg149Te",
"formula_anonymous": "AB149",
"formation_energy": -0.003203210527781,
"spacegroup": 187
},
{
"id": "oqmd-31743",
"created_at": "2022-09-04T14:49:01.278179Z",
"updated_at": "2022-09-04T14:49:01.278202Z",
"structure_string": "Mg149 I1\n1.0\n13.811538 -7.974099 0.000000\n0.000000 15.948199 0.000000\n0.000000 0.000000 15.659874\nI Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 I\n0.206976 0.001147 0.000000 Mg\n0.794172 0.001148 0.000000 Mg\n0.799330 0.200670 0.000000 Mg\n0.401340 0.200670 0.000000 Mg\n0.600378 0.200757 0.000000 Mg\n0.998853 0.205828 0.000000 Mg\n0.206976 0.205828 0.000000 Mg\n0.600378 0.399621 0.000000 Mg\n0.799243 0.399621 0.000000 Mg\n0.200051 0.400102 0.000000 Mg\n0.000546 0.402396 0.000000 Mg\n0.401850 0.402396 0.000000 Mg\n0.597603 0.598150 0.000000 Mg\n0.000546 0.598150 0.000000 Mg\n0.799330 0.598661 0.000000 Mg\n0.399650 0.600350 0.000000 Mg\n0.200700 0.600350 0.000000 Mg\n0.794172 0.793024 0.000000 Mg\n0.998853 0.793024 0.000000 Mg\n0.399650 0.799300 0.000000 Mg\n0.200051 0.799949 0.000000 Mg\n0.599898 0.799949 0.000000 Mg\n0.401850 0.999454 0.000000 Mg\n0.597603 0.999454 0.000000 Mg\n0.666667 0.333333 0.166172 Mg\n0.666741 0.133123 0.166266 Mg\n0.466383 0.133124 0.166266 Mg\n0.866877 0.333259 0.166266 Mg\n0.466383 0.333259 0.166266 Mg\n0.666741 0.533618 0.166266 Mg\n0.866877 0.533618 0.166266 Mg\n0.266621 0.533241 0.166493 Mg\n0.466758 0.733379 0.166493 Mg\n0.266621 0.733379 0.166493 Mg\n0.267182 0.333703 0.166839 Mg\n0.066520 0.333703 0.166839 Mg\n0.666297 0.732818 0.166839 Mg\n0.066520 0.732818 0.166839 Mg\n0.267182 0.933480 0.166839 Mg\n0.666297 0.933480 0.166839 Mg\n0.265701 0.132851 0.167019 Mg\n0.867150 0.132851 0.167019 Mg\n0.867150 0.734299 0.167019 Mg\n0.066912 0.533456 0.167139 Mg\n0.466544 0.533456 0.167139 Mg\n0.466544 0.933088 0.167139 Mg\n0.068569 0.137138 0.172399 Mg\n0.068569 0.931431 0.172399 Mg\n0.862861 0.931431 0.172399 Mg\n0.799968 0.200032 0.332837 Mg\n0.400065 0.200032 0.332837 Mg\n0.799968 0.599936 0.332837 Mg\n0.000000 0.000000 0.332856 Mg\n0.199801 0.399602 0.332974 Mg\n0.199801 0.800198 0.332974 Mg\n0.600397 0.800199 0.332974 Mg\n0.600048 0.200097 0.332988 Mg\n0.600048 0.399951 0.332988 Mg\n0.799903 0.399951 0.332988 Mg\n0.399995 0.600005 0.333252 Mg\n0.200010 0.600005 0.333252 Mg\n0.399995 0.799990 0.333252 Mg\n0.400298 0.000000 0.333468 Mg\n0.599792 0.000000 0.333468 Mg\n0.400298 0.400208 0.333468 Mg\n0.000000 0.400208 0.333468 Mg\n0.599792 0.599702 0.333468 Mg\n0.000000 0.599702 0.333468 Mg\n0.799406 0.000305 0.335037 Mg\n0.200899 0.000305 0.335037 Mg\n0.999695 0.200593 0.335037 Mg\n0.200899 0.200594 0.335037 Mg\n0.999695 0.799101 0.335037 Mg\n0.799406 0.799101 0.335037 Mg\n0.066621 0.133242 0.500000 Mg\n0.466834 0.133506 0.500000 Mg\n0.666672 0.133506 0.500000 Mg\n0.866411 0.133589 0.500000 Mg\n0.267177 0.133589 0.500000 Mg\n0.866494 0.333329 0.500000 Mg\n0.466834 0.333329 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266804 0.333771 0.500000 Mg\n0.066967 0.333771 0.500000 Mg\n0.866494 0.533166 0.500000 Mg\n0.666672 0.533166 0.500000 Mg\n0.066911 0.533455 0.500000 Mg\n0.466545 0.533455 0.500000 Mg\n0.266765 0.533531 0.500000 Mg\n0.866411 0.732822 0.500000 Mg\n0.666229 0.733196 0.500000 Mg\n0.066967 0.733196 0.500000 Mg\n0.466469 0.733235 0.500000 Mg\n0.266765 0.733235 0.500000 Mg\n0.666229 0.933033 0.500000 Mg\n0.266804 0.933033 0.500000 Mg\n0.466545 0.933089 0.500000 Mg\n0.066621 0.933379 0.500000 Mg\n0.866758 0.933379 0.500000 Mg\n0.799406 0.000305 0.664963 Mg\n0.200899 0.000305 0.664963 Mg\n0.999695 0.200593 0.664963 Mg\n0.200899 0.200594 0.664963 Mg\n0.999695 0.799101 0.664963 Mg\n0.799406 0.799101 0.664963 Mg\n0.400298 0.000000 0.666532 Mg\n0.599792 0.000000 0.666532 Mg\n0.400298 0.400208 0.666532 Mg\n0.000000 0.400208 0.666532 Mg\n0.599792 0.599702 0.666532 Mg\n0.000000 0.599702 0.666532 Mg\n0.399995 0.600005 0.666747 Mg\n0.200010 0.600005 0.666747 Mg\n0.399995 0.799990 0.666747 Mg\n0.600048 0.200097 0.667012 Mg\n0.600048 0.399951 0.667012 Mg\n0.799903 0.399951 0.667012 Mg\n0.199801 0.399602 0.667026 Mg\n0.199801 0.800198 0.667026 Mg\n0.600397 0.800199 0.667026 Mg\n0.000000 0.000000 0.667144 Mg\n0.799968 0.200032 0.667162 Mg\n0.400065 0.200032 0.667162 Mg\n0.799968 0.599936 0.667162 Mg\n0.068569 0.137138 0.827601 Mg\n0.068569 0.931431 0.827601 Mg\n0.862861 0.931431 0.827601 Mg\n0.066912 0.533456 0.832860 Mg\n0.466544 0.533456 0.832860 Mg\n0.466544 0.933088 0.832860 Mg\n0.265701 0.132851 0.832981 Mg\n0.867150 0.132851 0.832981 Mg\n0.867150 0.734299 0.832981 Mg\n0.267182 0.333703 0.833161 Mg\n0.066520 0.333703 0.833161 Mg\n0.666297 0.732818 0.833161 Mg\n0.066520 0.732818 0.833161 Mg\n0.267182 0.933480 0.833161 Mg\n0.666297 0.933480 0.833161 Mg\n0.266621 0.533241 0.833507 Mg\n0.466758 0.733379 0.833507 Mg\n0.266621 0.733379 0.833507 Mg\n0.666741 0.133123 0.833734 Mg\n0.466383 0.133124 0.833734 Mg\n0.866877 0.333259 0.833734 Mg\n0.466383 0.333259 0.833734 Mg\n0.666741 0.533618 0.833734 Mg\n0.866877 0.533618 0.833734 Mg\n0.666667 0.333333 0.833828 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"I",
"Mg"
],
"chemical_system": "I-Mg",
"density": 1.8044598365459614,
"density_atomic": 0.043485984520014655,
"volume": 3449.3872371904495,
"volume_molar": 13.848463652072262,
"formula_full": "Mg149 I1",
"formula_reduced": "Mg149I",
"formula_anonymous": "AB149",
"formation_energy": 0.0017915437449189,
"spacegroup": 187
},
{
"id": "oqmd-31792",
"created_at": "2022-09-04T14:49:02.124352Z",
"updated_at": "2022-09-04T14:49:02.124390Z",
"structure_string": "Y1 Mg149\n1.0\n13.816359 -7.976883 0.000000\n0.000000 15.953765 0.000000\n0.000000 0.000000 15.621689\nMg Y\n149 1\ndirect\n0.599939 0.199878 0.000000 Mg\n0.799524 0.200476 0.000000 Mg\n0.400952 0.200476 0.000000 Mg\n0.002928 0.204313 0.000000 Mg\n0.201385 0.204313 0.000000 Mg\n0.000117 0.399922 0.000000 Mg\n0.399806 0.399922 0.000000 Mg\n0.800122 0.400061 0.000000 Mg\n0.599939 0.400061 0.000000 Mg\n0.201494 0.402988 0.000000 Mg\n0.799524 0.599047 0.000000 Mg\n0.000117 0.600194 0.000000 Mg\n0.600078 0.600194 0.000000 Mg\n0.200430 0.600215 0.000000 Mg\n0.399785 0.600215 0.000000 Mg\n0.201494 0.798506 0.000000 Mg\n0.597012 0.798506 0.000000 Mg\n0.795687 0.798615 0.000000 Mg\n0.002928 0.798615 0.000000 Mg\n0.399785 0.799570 0.000000 Mg\n0.201385 0.997072 0.000000 Mg\n0.795687 0.997073 0.000000 Mg\n0.600078 0.999884 0.000000 Mg\n0.399806 0.999884 0.000000 Mg\n0.868185 0.131815 0.164733 Mg\n0.263630 0.131815 0.164733 Mg\n0.868185 0.736370 0.164733 Mg\n0.666667 0.333333 0.166336 Mg\n0.667311 0.132830 0.166520 Mg\n0.465519 0.132831 0.166520 Mg\n0.465519 0.332688 0.166520 Mg\n0.867170 0.332689 0.166520 Mg\n0.867170 0.534481 0.166520 Mg\n0.667311 0.534481 0.166520 Mg\n0.466702 0.533298 0.167239 Mg\n0.066596 0.533298 0.167239 Mg\n0.466702 0.933404 0.167239 Mg\n0.267148 0.534296 0.167461 Mg\n0.267148 0.732852 0.167461 Mg\n0.465704 0.732852 0.167461 Mg\n0.067864 0.335659 0.167650 Mg\n0.267795 0.335659 0.167650 Mg\n0.067864 0.732205 0.167650 Mg\n0.664341 0.732205 0.167650 Mg\n0.664341 0.932136 0.167650 Mg\n0.267795 0.932136 0.167650 Mg\n0.067597 0.135193 0.169045 Mg\n0.864807 0.932404 0.169045 Mg\n0.067597 0.932404 0.169045 Mg\n0.399910 0.199955 0.332910 Mg\n0.800045 0.199955 0.332910 Mg\n0.800045 0.600090 0.332910 Mg\n0.600080 0.200159 0.332953 Mg\n0.799840 0.399920 0.332953 Mg\n0.600080 0.399920 0.332953 Mg\n0.200441 0.000000 0.333408 Mg\n0.799564 0.000000 0.333408 Mg\n0.000000 0.200436 0.333408 Mg\n0.200441 0.200437 0.333408 Mg\n0.799564 0.799558 0.333408 Mg\n0.000000 0.799559 0.333408 Mg\n0.400446 0.000220 0.333740 Mg\n0.599775 0.000221 0.333740 Mg\n0.999779 0.400225 0.333740 Mg\n0.400446 0.400225 0.333740 Mg\n0.599775 0.599554 0.333740 Mg\n0.999779 0.599555 0.333740 Mg\n0.399977 0.600023 0.333878 Mg\n0.200046 0.600023 0.333878 Mg\n0.399977 0.799954 0.333878 Mg\n0.200321 0.400640 0.334148 Mg\n0.599360 0.799680 0.334148 Mg\n0.200321 0.799680 0.334148 Mg\n0.000000 0.000000 0.334497 Mg\n0.866498 0.133502 0.500000 Mg\n0.267004 0.133502 0.500000 Mg\n0.066806 0.133612 0.500000 Mg\n0.467119 0.134166 0.500000 Mg\n0.667046 0.134166 0.500000 Mg\n0.467119 0.332954 0.500000 Mg\n0.865834 0.332954 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066747 0.333657 0.500000 Mg\n0.266910 0.333657 0.500000 Mg\n0.667046 0.532880 0.500000 Mg\n0.865834 0.532881 0.500000 Mg\n0.466836 0.533164 0.500000 Mg\n0.066328 0.533164 0.500000 Mg\n0.266765 0.533529 0.500000 Mg\n0.866498 0.732997 0.500000 Mg\n0.666343 0.733090 0.500000 Mg\n0.066747 0.733090 0.500000 Mg\n0.466470 0.733235 0.500000 Mg\n0.266765 0.733235 0.500000 Mg\n0.066806 0.933194 0.500000 Mg\n0.866388 0.933194 0.500000 Mg\n0.666343 0.933253 0.500000 Mg\n0.266910 0.933253 0.500000 Mg\n0.466836 0.933672 0.500000 Mg\n0.000000 0.000000 0.665503 Mg\n0.200321 0.400640 0.665852 Mg\n0.599360 0.799680 0.665852 Mg\n0.200321 0.799680 0.665852 Mg\n0.399977 0.600023 0.666121 Mg\n0.200046 0.600023 0.666121 Mg\n0.399977 0.799954 0.666121 Mg\n0.400446 0.000220 0.666260 Mg\n0.599775 0.000221 0.666260 Mg\n0.999779 0.400225 0.666260 Mg\n0.400446 0.400225 0.666260 Mg\n0.599775 0.599554 0.666260 Mg\n0.999779 0.599555 0.666260 Mg\n0.200441 0.000000 0.666592 Mg\n0.799564 0.000000 0.666592 Mg\n0.000000 0.200436 0.666592 Mg\n0.200441 0.200437 0.666592 Mg\n0.799564 0.799558 0.666592 Mg\n0.000000 0.799559 0.666592 Mg\n0.600080 0.200159 0.667046 Mg\n0.799840 0.399920 0.667046 Mg\n0.600080 0.399920 0.667046 Mg\n0.399910 0.199955 0.667090 Mg\n0.800045 0.199955 0.667090 Mg\n0.800045 0.600090 0.667090 Mg\n0.067597 0.135193 0.830955 Mg\n0.864807 0.932404 0.830955 Mg\n0.067597 0.932404 0.830955 Mg\n0.067864 0.335659 0.832350 Mg\n0.267795 0.335659 0.832350 Mg\n0.067864 0.732205 0.832350 Mg\n0.664341 0.732205 0.832350 Mg\n0.664341 0.932136 0.832350 Mg\n0.267795 0.932136 0.832350 Mg\n0.267148 0.534296 0.832539 Mg\n0.267148 0.732852 0.832539 Mg\n0.465704 0.732852 0.832539 Mg\n0.466702 0.533298 0.832761 Mg\n0.066596 0.533298 0.832761 Mg\n0.466702 0.933404 0.832761 Mg\n0.667311 0.132830 0.833480 Mg\n0.465519 0.132831 0.833480 Mg\n0.465519 0.332688 0.833480 Mg\n0.867170 0.332689 0.833480 Mg\n0.867170 0.534481 0.833480 Mg\n0.667311 0.534481 0.833480 Mg\n0.666667 0.333333 0.833664 Mg\n0.868185 0.131815 0.835266 Mg\n0.263630 0.131815 0.835266 Mg\n0.868185 0.736370 0.835266 Mg\n0.000000 0.000000 0.000000 Y\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Y"
],
"chemical_system": "Mg-Y",
"density": 1.7892840412023687,
"density_atomic": 0.043561865690407785,
"volume": 3443.3786896558386,
"volume_molar": 13.824340772727878,
"formula_full": "Y1 Mg149",
"formula_reduced": "YMg149",
"formula_anonymous": "AB149",
"formation_energy": -0.0003185943388922,
"spacegroup": 187
}
]
}