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{
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{
"id": "oqmd-31774",
"created_at": "2022-09-04T14:49:01.171043Z",
"updated_at": "2022-09-04T14:49:01.171081Z",
"structure_string": "Mg149 Sb1\n1.0\n13.793912 -7.963922 0.000000\n0.000000 15.927846 0.000000\n0.000000 0.000000 15.631900\nMg Sb\n149 1\ndirect\n0.799370 0.001216 0.000000 Mg\n0.201846 0.001216 0.000000 Mg\n0.799996 0.200004 0.000000 Mg\n0.400008 0.200004 0.000000 Mg\n0.600136 0.200273 0.000000 Mg\n0.998784 0.200630 0.000000 Mg\n0.201846 0.200630 0.000000 Mg\n0.199343 0.398686 0.000000 Mg\n0.600136 0.399863 0.000000 Mg\n0.799727 0.399863 0.000000 Mg\n0.000254 0.400895 0.000000 Mg\n0.400641 0.400896 0.000000 Mg\n0.000254 0.599359 0.000000 Mg\n0.599104 0.599359 0.000000 Mg\n0.799996 0.599993 0.000000 Mg\n0.200021 0.600010 0.000000 Mg\n0.399990 0.600011 0.000000 Mg\n0.998784 0.798154 0.000000 Mg\n0.799370 0.798154 0.000000 Mg\n0.399990 0.799979 0.000000 Mg\n0.601315 0.800657 0.000000 Mg\n0.199343 0.800657 0.000000 Mg\n0.599104 0.999745 0.000000 Mg\n0.400641 0.999746 0.000000 Mg\n0.266301 0.332496 0.166306 Mg\n0.066196 0.332497 0.166306 Mg\n0.667503 0.733699 0.166306 Mg\n0.066196 0.733699 0.166306 Mg\n0.266301 0.933804 0.166306 Mg\n0.667503 0.933804 0.166306 Mg\n0.466693 0.133280 0.166348 Mg\n0.666587 0.133280 0.166348 Mg\n0.866720 0.333413 0.166348 Mg\n0.466693 0.333413 0.166348 Mg\n0.666587 0.533307 0.166348 Mg\n0.866720 0.533307 0.166348 Mg\n0.266431 0.532861 0.166354 Mg\n0.266431 0.733569 0.166354 Mg\n0.467139 0.733569 0.166354 Mg\n0.666667 0.333333 0.166369 Mg\n0.066774 0.533387 0.166594 Mg\n0.466613 0.533387 0.166594 Mg\n0.466613 0.933226 0.166594 Mg\n0.866480 0.133520 0.167290 Mg\n0.267040 0.133520 0.167290 Mg\n0.866480 0.732960 0.167290 Mg\n0.066972 0.133944 0.168070 Mg\n0.866055 0.933027 0.168070 Mg\n0.066972 0.933028 0.168070 Mg\n0.199800 0.399600 0.332887 Mg\n0.600400 0.800200 0.332887 Mg\n0.199800 0.800200 0.332887 Mg\n0.000000 0.000000 0.332899 Mg\n0.399966 0.199983 0.333110 Mg\n0.800017 0.199983 0.333110 Mg\n0.800017 0.600034 0.333110 Mg\n0.600001 0.200001 0.333123 Mg\n0.799999 0.399999 0.333123 Mg\n0.600001 0.400000 0.333123 Mg\n0.399889 0.000000 0.333160 Mg\n0.600129 0.000000 0.333160 Mg\n0.000000 0.399871 0.333160 Mg\n0.399889 0.399871 0.333160 Mg\n0.000000 0.600111 0.333160 Mg\n0.600129 0.600111 0.333160 Mg\n0.399997 0.600002 0.333221 Mg\n0.200005 0.600002 0.333221 Mg\n0.399997 0.799995 0.333221 Mg\n0.800096 0.000000 0.333820 Mg\n0.199980 0.000000 0.333820 Mg\n0.199980 0.199905 0.333820 Mg\n0.000000 0.199905 0.333820 Mg\n0.000000 0.800021 0.333820 Mg\n0.800096 0.800021 0.333820 Mg\n0.066588 0.133176 0.500000 Mg\n0.666545 0.133333 0.500000 Mg\n0.466789 0.133334 0.500000 Mg\n0.266726 0.133363 0.500000 Mg\n0.866637 0.133363 0.500000 Mg\n0.266594 0.333262 0.500000 Mg\n0.066669 0.333263 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466789 0.333455 0.500000 Mg\n0.866666 0.333455 0.500000 Mg\n0.666545 0.533211 0.500000 Mg\n0.866666 0.533212 0.500000 Mg\n0.266697 0.533394 0.500000 Mg\n0.066823 0.533411 0.500000 Mg\n0.466588 0.533411 0.500000 Mg\n0.866637 0.733274 0.500000 Mg\n0.466606 0.733303 0.500000 Mg\n0.266697 0.733303 0.500000 Mg\n0.666738 0.733407 0.500000 Mg\n0.066669 0.733407 0.500000 Mg\n0.466588 0.933177 0.500000 Mg\n0.266594 0.933331 0.500000 Mg\n0.666738 0.933331 0.500000 Mg\n0.866824 0.933412 0.500000 Mg\n0.066588 0.933412 0.500000 Mg\n0.800096 0.000000 0.666180 Mg\n0.199980 0.000000 0.666180 Mg\n0.199980 0.199905 0.666180 Mg\n0.000000 0.199905 0.666180 Mg\n0.000000 0.800021 0.666180 Mg\n0.800096 0.800021 0.666180 Mg\n0.399997 0.600002 0.666779 Mg\n0.200005 0.600002 0.666779 Mg\n0.399997 0.799995 0.666779 Mg\n0.399889 0.000000 0.666840 Mg\n0.600129 0.000000 0.666840 Mg\n0.000000 0.399871 0.666840 Mg\n0.399889 0.399871 0.666840 Mg\n0.000000 0.600111 0.666840 Mg\n0.600129 0.600111 0.666840 Mg\n0.600001 0.200001 0.666876 Mg\n0.799999 0.399999 0.666876 Mg\n0.600001 0.400000 0.666876 Mg\n0.399966 0.199983 0.666890 Mg\n0.800017 0.199983 0.666890 Mg\n0.800017 0.600034 0.666890 Mg\n0.000000 0.000000 0.667101 Mg\n0.199800 0.399600 0.667113 Mg\n0.600400 0.800200 0.667113 Mg\n0.199800 0.800200 0.667113 Mg\n0.066972 0.133944 0.831930 Mg\n0.866055 0.933027 0.831930 Mg\n0.066972 0.933028 0.831930 Mg\n0.866480 0.133520 0.832710 Mg\n0.267040 0.133520 0.832710 Mg\n0.866480 0.732960 0.832710 Mg\n0.066774 0.533387 0.833406 Mg\n0.466613 0.533387 0.833406 Mg\n0.466613 0.933226 0.833406 Mg\n0.666667 0.333333 0.833631 Mg\n0.266431 0.532861 0.833646 Mg\n0.266431 0.733569 0.833646 Mg\n0.467139 0.733569 0.833646 Mg\n0.466693 0.133280 0.833652 Mg\n0.666587 0.133280 0.833652 Mg\n0.866720 0.333413 0.833652 Mg\n0.466693 0.333413 0.833652 Mg\n0.666587 0.533307 0.833652 Mg\n0.866720 0.533307 0.833652 Mg\n0.266301 0.332496 0.833694 Mg\n0.066196 0.332497 0.833694 Mg\n0.667503 0.733699 0.833694 Mg\n0.066196 0.733699 0.833694 Mg\n0.266301 0.933804 0.833694 Mg\n0.667503 0.933804 0.833694 Mg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 1.8098244146985876,
"density_atomic": 0.04367520899856931,
"volume": 3434.442637811158,
"volume_molar": 13.78846466469633,
"formula_full": "Mg149 Sb1",
"formula_reduced": "Mg149Sb",
"formula_anonymous": "AB149",
"formation_energy": -0.0025410637388921,
"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",
"formula_anonymous": "AB149",
"formation_energy": 0.000576431294441,
"spacegroup": 187
},
{
"id": "oqmd-31745",
"created_at": "2022-09-04T14:49:02.354674Z",
"updated_at": "2022-09-04T14:49:02.354698Z",
"structure_string": "Mg149 Ir1\n1.0\n13.766560 -7.948131 0.000000\n0.000000 15.896261 0.000000\n0.000000 0.000000 15.540043\nIr Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ir\n0.602541 0.000339 0.000000 Mg\n0.397799 0.000339 0.000000 Mg\n0.812592 0.002181 0.000000 Mg\n0.189589 0.002181 0.000000 Mg\n0.997819 0.187408 0.000000 Mg\n0.189589 0.187408 0.000000 Mg\n0.801226 0.198773 0.000000 Mg\n0.397547 0.198773 0.000000 Mg\n0.599815 0.199631 0.000000 Mg\n0.197922 0.395843 0.000000 Mg\n0.999661 0.397459 0.000000 Mg\n0.397799 0.397459 0.000000 Mg\n0.599815 0.400185 0.000000 Mg\n0.800369 0.400185 0.000000 Mg\n0.199466 0.599733 0.000000 Mg\n0.400267 0.599733 0.000000 Mg\n0.999661 0.602201 0.000000 Mg\n0.602541 0.602201 0.000000 Mg\n0.801226 0.602453 0.000000 Mg\n0.400267 0.800534 0.000000 Mg\n0.604157 0.802078 0.000000 Mg\n0.197922 0.802078 0.000000 Mg\n0.812592 0.810411 0.000000 Mg\n0.997819 0.810411 0.000000 Mg\n0.062792 0.125584 0.156578 Mg\n0.874417 0.937208 0.156578 Mg\n0.062792 0.937208 0.156578 Mg\n0.065655 0.330079 0.165095 Mg\n0.264423 0.330079 0.165095 Mg\n0.065655 0.735577 0.165095 Mg\n0.669921 0.735577 0.165095 Mg\n0.669921 0.934344 0.165095 Mg\n0.264423 0.934344 0.165095 Mg\n0.466696 0.533304 0.165822 Mg\n0.066609 0.533304 0.165822 Mg\n0.466696 0.933392 0.165822 Mg\n0.266168 0.532336 0.165965 Mg\n0.266168 0.733832 0.165965 Mg\n0.467664 0.733832 0.165965 Mg\n0.666437 0.133682 0.166670 Mg\n0.467245 0.133682 0.166670 Mg\n0.467245 0.333562 0.166670 Mg\n0.866318 0.333563 0.166670 Mg\n0.866318 0.532755 0.166670 Mg\n0.666437 0.532756 0.166670 Mg\n0.666667 0.333333 0.166822 Mg\n0.269179 0.134590 0.167538 Mg\n0.865410 0.134590 0.167538 Mg\n0.865410 0.730820 0.167538 Mg\n0.000000 0.000000 0.330982 Mg\n0.000455 0.198848 0.331090 Mg\n0.198393 0.198848 0.331090 Mg\n0.801151 0.801607 0.331090 Mg\n0.000455 0.801607 0.331090 Mg\n0.801151 0.999544 0.331090 Mg\n0.198393 0.999545 0.331090 Mg\n0.399282 0.399532 0.332566 Mg\n0.000250 0.399532 0.332566 Mg\n0.600468 0.600718 0.332566 Mg\n0.000250 0.600718 0.332566 Mg\n0.399282 0.999750 0.332566 Mg\n0.600468 0.999750 0.332566 Mg\n0.199810 0.399619 0.332673 Mg\n0.199810 0.800190 0.332673 Mg\n0.600381 0.800190 0.332673 Mg\n0.200080 0.600040 0.333073 Mg\n0.399960 0.600040 0.333073 Mg\n0.399960 0.799920 0.333073 Mg\n0.599920 0.199839 0.333522 Mg\n0.599920 0.400080 0.333522 Mg\n0.800161 0.400080 0.333522 Mg\n0.800045 0.199955 0.333706 Mg\n0.399910 0.199955 0.333706 Mg\n0.800045 0.600090 0.333706 Mg\n0.066414 0.132828 0.500000 Mg\n0.265884 0.132942 0.500000 Mg\n0.867058 0.132942 0.500000 Mg\n0.666593 0.133117 0.500000 Mg\n0.466525 0.133117 0.500000 Mg\n0.066293 0.332611 0.500000 Mg\n0.266318 0.332611 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866883 0.333407 0.500000 Mg\n0.466525 0.333407 0.500000 Mg\n0.266468 0.532937 0.500000 Mg\n0.466736 0.533264 0.500000 Mg\n0.066528 0.533264 0.500000 Mg\n0.866883 0.533475 0.500000 Mg\n0.666593 0.533476 0.500000 Mg\n0.266468 0.733531 0.500000 Mg\n0.467063 0.733531 0.500000 Mg\n0.066293 0.733682 0.500000 Mg\n0.667389 0.733682 0.500000 Mg\n0.867058 0.734115 0.500000 Mg\n0.466736 0.933472 0.500000 Mg\n0.066414 0.933586 0.500000 Mg\n0.867172 0.933586 0.500000 Mg\n0.266318 0.933706 0.500000 Mg\n0.667389 0.933707 0.500000 Mg\n0.800045 0.199955 0.666294 Mg\n0.399910 0.199955 0.666294 Mg\n0.800045 0.600090 0.666294 Mg\n0.599920 0.199839 0.666479 Mg\n0.599920 0.400080 0.666479 Mg\n0.800161 0.400080 0.666479 Mg\n0.200080 0.600040 0.666927 Mg\n0.399960 0.600040 0.666927 Mg\n0.399960 0.799920 0.666927 Mg\n0.199810 0.399619 0.667327 Mg\n0.199810 0.800190 0.667327 Mg\n0.600381 0.800190 0.667327 Mg\n0.399282 0.399532 0.667434 Mg\n0.000250 0.399532 0.667434 Mg\n0.600468 0.600718 0.667434 Mg\n0.000250 0.600718 0.667434 Mg\n0.399282 0.999750 0.667434 Mg\n0.600468 0.999750 0.667434 Mg\n0.000455 0.198848 0.668909 Mg\n0.198393 0.198848 0.668909 Mg\n0.801151 0.801607 0.668909 Mg\n0.000455 0.801607 0.668909 Mg\n0.801151 0.999544 0.668909 Mg\n0.198393 0.999545 0.668909 Mg\n0.000000 0.000000 0.669018 Mg\n0.269179 0.134590 0.832462 Mg\n0.865410 0.134590 0.832462 Mg\n0.865410 0.730820 0.832462 Mg\n0.666667 0.333333 0.833179 Mg\n0.666437 0.133682 0.833330 Mg\n0.467245 0.133682 0.833330 Mg\n0.467245 0.333562 0.833330 Mg\n0.866318 0.333563 0.833330 Mg\n0.866318 0.532755 0.833330 Mg\n0.666437 0.532756 0.833330 Mg\n0.266168 0.532336 0.834035 Mg\n0.266168 0.733832 0.834035 Mg\n0.467664 0.733832 0.834035 Mg\n0.466696 0.533304 0.834179 Mg\n0.066609 0.533304 0.834179 Mg\n0.466696 0.933392 0.834179 Mg\n0.065655 0.330079 0.834904 Mg\n0.264423 0.330079 0.834904 Mg\n0.065655 0.735577 0.834904 Mg\n0.669921 0.735577 0.834904 Mg\n0.669921 0.934344 0.834904 Mg\n0.264423 0.934344 0.834904 Mg\n0.062792 0.125584 0.843422 Mg\n0.874417 0.937208 0.843422 Mg\n0.062792 0.937208 0.843422 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ir",
"Mg"
],
"chemical_system": "Ir-Mg",
"density": 1.862167162339299,
"density_atomic": 0.04410812799141257,
"volume": 3400.7337611154926,
"volume_molar": 13.653131597814474,
"formula_full": "Mg149 Ir1",
"formula_reduced": "Mg149Ir",
"formula_anonymous": "AB149",
"formation_energy": -0.0051818009055587,
"spacegroup": 187
},
{
"id": "oqmd-31767",
"created_at": "2022-09-04T14:49:01.444348Z",
"updated_at": "2022-09-04T14:49:01.444374Z",
"structure_string": "Mg149 Pt1\n1.0\n13.762261 -7.945649 0.000000\n0.000000 15.891297 0.000000\n0.000000 0.000000 15.565053\nMg Pt\n149 1\ndirect\n0.601778 0.000158 0.000000 Mg\n0.398381 0.000158 0.000000 Mg\n0.191812 0.001982 0.000000 Mg\n0.810171 0.001982 0.000000 Mg\n0.191812 0.189829 0.000000 Mg\n0.998018 0.189830 0.000000 Mg\n0.801094 0.198905 0.000000 Mg\n0.397811 0.198906 0.000000 Mg\n0.599863 0.199726 0.000000 Mg\n0.198259 0.396517 0.000000 Mg\n0.999842 0.398222 0.000000 Mg\n0.398381 0.398223 0.000000 Mg\n0.800274 0.400137 0.000000 Mg\n0.599863 0.400137 0.000000 Mg\n0.400194 0.599806 0.000000 Mg\n0.199612 0.599806 0.000000 Mg\n0.999842 0.601619 0.000000 Mg\n0.601778 0.601619 0.000000 Mg\n0.801094 0.602189 0.000000 Mg\n0.400194 0.800389 0.000000 Mg\n0.603483 0.801742 0.000000 Mg\n0.198259 0.801742 0.000000 Mg\n0.998018 0.808188 0.000000 Mg\n0.810171 0.808188 0.000000 Mg\n0.063545 0.127089 0.158601 Mg\n0.872910 0.936455 0.158601 Mg\n0.063545 0.936456 0.158601 Mg\n0.264820 0.330609 0.165383 Mg\n0.065789 0.330609 0.165383 Mg\n0.669391 0.735180 0.165383 Mg\n0.065789 0.735180 0.165383 Mg\n0.669391 0.934211 0.165383 Mg\n0.264820 0.934211 0.165383 Mg\n0.066638 0.533319 0.166064 Mg\n0.466681 0.533319 0.166064 Mg\n0.466681 0.933362 0.166064 Mg\n0.266215 0.532429 0.166098 Mg\n0.266215 0.733785 0.166098 Mg\n0.467571 0.733785 0.166098 Mg\n0.467087 0.133553 0.166614 Mg\n0.666466 0.133553 0.166614 Mg\n0.866446 0.333534 0.166614 Mg\n0.467087 0.333534 0.166614 Mg\n0.866446 0.532912 0.166614 Mg\n0.666466 0.532913 0.166614 Mg\n0.666667 0.333333 0.166709 Mg\n0.865715 0.134286 0.167493 Mg\n0.268571 0.134286 0.167493 Mg\n0.865715 0.731429 0.167493 Mg\n0.000000 0.000000 0.331017 Mg\n0.000402 0.199153 0.331761 Mg\n0.198751 0.199154 0.331761 Mg\n0.000402 0.801248 0.331761 Mg\n0.800847 0.801248 0.331761 Mg\n0.800847 0.999598 0.331761 Mg\n0.198751 0.999598 0.331761 Mg\n0.000179 0.399621 0.332730 Mg\n0.399442 0.399621 0.332730 Mg\n0.000179 0.600559 0.332730 Mg\n0.600379 0.600559 0.332730 Mg\n0.600379 0.999820 0.332730 Mg\n0.399442 0.999820 0.332730 Mg\n0.199831 0.399660 0.332792 Mg\n0.199831 0.800170 0.332792 Mg\n0.600340 0.800170 0.332792 Mg\n0.200039 0.600020 0.333110 Mg\n0.399981 0.600020 0.333110 Mg\n0.399981 0.799961 0.333110 Mg\n0.599946 0.199892 0.333381 Mg\n0.599946 0.400054 0.333381 Mg\n0.800108 0.400054 0.333381 Mg\n0.399897 0.199949 0.333579 Mg\n0.800051 0.199949 0.333579 Mg\n0.800051 0.600102 0.333579 Mg\n0.066440 0.132881 0.500000 Mg\n0.866927 0.133072 0.500000 Mg\n0.266145 0.133073 0.500000 Mg\n0.466580 0.133165 0.500000 Mg\n0.666585 0.133165 0.500000 Mg\n0.266434 0.332801 0.500000 Mg\n0.066367 0.332801 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466580 0.333415 0.500000 Mg\n0.866835 0.333416 0.500000 Mg\n0.266519 0.533038 0.500000 Mg\n0.466737 0.533263 0.500000 Mg\n0.066526 0.533263 0.500000 Mg\n0.666585 0.533419 0.500000 Mg\n0.866835 0.533419 0.500000 Mg\n0.266519 0.733481 0.500000 Mg\n0.466962 0.733481 0.500000 Mg\n0.066367 0.733566 0.500000 Mg\n0.667199 0.733566 0.500000 Mg\n0.866927 0.733855 0.500000 Mg\n0.466737 0.933474 0.500000 Mg\n0.066440 0.933560 0.500000 Mg\n0.867119 0.933560 0.500000 Mg\n0.266434 0.933633 0.500000 Mg\n0.667199 0.933633 0.500000 Mg\n0.399897 0.199949 0.666421 Mg\n0.800051 0.199949 0.666421 Mg\n0.800051 0.600102 0.666421 Mg\n0.599946 0.199892 0.666618 Mg\n0.599946 0.400054 0.666618 Mg\n0.800108 0.400054 0.666618 Mg\n0.200039 0.600020 0.666889 Mg\n0.399981 0.600020 0.666889 Mg\n0.399981 0.799961 0.666889 Mg\n0.199831 0.399660 0.667207 Mg\n0.199831 0.800170 0.667207 Mg\n0.600340 0.800170 0.667207 Mg\n0.000179 0.399621 0.667270 Mg\n0.399442 0.399621 0.667270 Mg\n0.000179 0.600559 0.667270 Mg\n0.600379 0.600559 0.667270 Mg\n0.600379 0.999820 0.667270 Mg\n0.399442 0.999820 0.667270 Mg\n0.000402 0.199153 0.668239 Mg\n0.198751 0.199154 0.668239 Mg\n0.000402 0.801248 0.668239 Mg\n0.800847 0.801248 0.668239 Mg\n0.800847 0.999598 0.668239 Mg\n0.198751 0.999598 0.668239 Mg\n0.000000 0.000000 0.668983 Mg\n0.865715 0.134286 0.832507 Mg\n0.268571 0.134286 0.832507 Mg\n0.865715 0.731429 0.832507 Mg\n0.666667 0.333333 0.833292 Mg\n0.467087 0.133553 0.833386 Mg\n0.666466 0.133553 0.833386 Mg\n0.866446 0.333534 0.833386 Mg\n0.467087 0.333534 0.833386 Mg\n0.866446 0.532912 0.833386 Mg\n0.666466 0.532913 0.833386 Mg\n0.266215 0.532429 0.833901 Mg\n0.266215 0.733785 0.833901 Mg\n0.467571 0.733785 0.833901 Mg\n0.066638 0.533319 0.833935 Mg\n0.466681 0.533319 0.833935 Mg\n0.466681 0.933362 0.833935 Mg\n0.264820 0.330609 0.834616 Mg\n0.065789 0.330609 0.834616 Mg\n0.669391 0.735180 0.834616 Mg\n0.065789 0.735180 0.834616 Mg\n0.669391 0.934211 0.834616 Mg\n0.264820 0.934211 0.834616 Mg\n0.063545 0.127089 0.841399 Mg\n0.872910 0.936455 0.841399 Mg\n0.063545 0.936456 0.841399 Mg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Pt"
],
"chemical_system": "Mg-Pt",
"density": 1.8617352681111656,
"density_atomic": 0.04406477133920486,
"volume": 3404.0798452196555,
"volume_molar": 13.666565324127852,
"formula_full": "Mg149 Pt1",
"formula_reduced": "Mg149Pt",
"formula_anonymous": "AB149",
"formation_energy": -0.0113560934388922,
"spacegroup": 187
},
{
"id": "oqmd-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
},
{
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"created_at": "2022-09-04T14:49:01.947210Z",
"updated_at": "2022-09-04T14:49:01.947238Z",
"structure_string": "Li1 Mg149\n1.0\n13.775711 -7.953414 0.000000\n0.000000 15.906828 0.000000\n0.000000 0.000000 15.610177\nLi Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Li\n0.198685 0.198715 0.000000 Mg\n0.000000 0.198715 0.000000 Mg\n0.800210 0.199790 0.000000 Mg\n0.399581 0.199790 0.000000 Mg\n0.599920 0.199840 0.000000 Mg\n0.399526 0.399615 0.000000 Mg\n0.000000 0.399616 0.000000 Mg\n0.199852 0.399703 0.000000 Mg\n0.800160 0.400080 0.000000 Mg\n0.599920 0.400080 0.000000 Mg\n0.200000 0.600000 0.000000 Mg\n0.400000 0.600000 0.000000 Mg\n0.800210 0.600420 0.000000 Mg\n0.600385 0.600474 0.000000 Mg\n0.000000 0.600475 0.000000 Mg\n0.400000 0.800000 0.000000 Mg\n0.600296 0.800148 0.000000 Mg\n0.199852 0.800148 0.000000 Mg\n0.801285 0.801314 0.000000 Mg\n0.000000 0.801315 0.000000 Mg\n0.600385 0.000000 0.000000 Mg\n0.399526 0.000000 0.000000 Mg\n0.801285 0.000000 0.000000 Mg\n0.198685 0.000000 0.000000 Mg\n0.066216 0.132431 0.165386 Mg\n0.867569 0.933784 0.165386 Mg\n0.066216 0.933785 0.165386 Mg\n0.666667 0.333333 0.166558 Mg\n0.466602 0.133296 0.166574 Mg\n0.666694 0.133296 0.166574 Mg\n0.466602 0.333306 0.166574 Mg\n0.866704 0.333306 0.166574 Mg\n0.666694 0.533398 0.166574 Mg\n0.866704 0.533399 0.166574 Mg\n0.866718 0.133281 0.166586 Mg\n0.266563 0.133281 0.166586 Mg\n0.866718 0.733437 0.166586 Mg\n0.266429 0.333092 0.166587 Mg\n0.066662 0.333092 0.166587 Mg\n0.066662 0.733571 0.166587 Mg\n0.666909 0.733571 0.166587 Mg\n0.666909 0.933338 0.166587 Mg\n0.266429 0.933338 0.166587 Mg\n0.066684 0.533342 0.166634 Mg\n0.466658 0.533342 0.166634 Mg\n0.466658 0.933316 0.166634 Mg\n0.266641 0.533282 0.166761 Mg\n0.266641 0.733358 0.166761 Mg\n0.466718 0.733359 0.166761 Mg\n0.000000 0.000000 0.332693 Mg\n0.199768 0.199899 0.332917 Mg\n0.000131 0.199899 0.332917 Mg\n0.800101 0.800233 0.332917 Mg\n0.000131 0.800233 0.332917 Mg\n0.800101 0.999868 0.332917 Mg\n0.199768 0.999869 0.332917 Mg\n0.399968 0.000000 0.333273 Mg\n0.600130 0.000000 0.333273 Mg\n0.399968 0.399870 0.333273 Mg\n0.000000 0.399870 0.333273 Mg\n0.000000 0.600032 0.333273 Mg\n0.600130 0.600033 0.333273 Mg\n0.600015 0.200031 0.333283 Mg\n0.600015 0.399984 0.333283 Mg\n0.799969 0.399984 0.333283 Mg\n0.399995 0.199998 0.333309 Mg\n0.800002 0.199998 0.333309 Mg\n0.800002 0.600005 0.333309 Mg\n0.200083 0.400165 0.333441 Mg\n0.200083 0.799917 0.333441 Mg\n0.599835 0.799917 0.333441 Mg\n0.199969 0.599984 0.333570 Mg\n0.400016 0.599984 0.333570 Mg\n0.400016 0.800031 0.333570 Mg\n0.066634 0.133267 0.500000 Mg\n0.266635 0.133317 0.500000 Mg\n0.866683 0.133317 0.500000 Mg\n0.666676 0.133529 0.500000 Mg\n0.466853 0.133529 0.500000 Mg\n0.066580 0.333209 0.500000 Mg\n0.266629 0.333209 0.500000 Mg\n0.866471 0.333324 0.500000 Mg\n0.466853 0.333324 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866471 0.533147 0.500000 Mg\n0.666676 0.533147 0.500000 Mg\n0.066532 0.533266 0.500000 Mg\n0.466734 0.533266 0.500000 Mg\n0.266676 0.533352 0.500000 Mg\n0.266676 0.733324 0.500000 Mg\n0.466648 0.733324 0.500000 Mg\n0.866683 0.733365 0.500000 Mg\n0.666790 0.733371 0.500000 Mg\n0.066580 0.733371 0.500000 Mg\n0.866733 0.933366 0.500000 Mg\n0.066634 0.933366 0.500000 Mg\n0.666790 0.933420 0.500000 Mg\n0.266629 0.933420 0.500000 Mg\n0.466734 0.933468 0.500000 Mg\n0.199969 0.599984 0.666430 Mg\n0.400016 0.599984 0.666430 Mg\n0.400016 0.800031 0.666430 Mg\n0.200083 0.400165 0.666559 Mg\n0.200083 0.799917 0.666559 Mg\n0.599835 0.799917 0.666559 Mg\n0.399995 0.199998 0.666691 Mg\n0.800002 0.199998 0.666691 Mg\n0.800002 0.600005 0.666691 Mg\n0.600015 0.200031 0.666718 Mg\n0.600015 0.399984 0.666718 Mg\n0.799969 0.399984 0.666718 Mg\n0.399968 0.000000 0.666727 Mg\n0.600130 0.000000 0.666727 Mg\n0.399968 0.399870 0.666727 Mg\n0.000000 0.399870 0.666727 Mg\n0.000000 0.600032 0.666727 Mg\n0.600130 0.600033 0.666727 Mg\n0.199768 0.199899 0.667083 Mg\n0.000131 0.199899 0.667083 Mg\n0.800101 0.800233 0.667083 Mg\n0.000131 0.800233 0.667083 Mg\n0.800101 0.999868 0.667083 Mg\n0.199768 0.999869 0.667083 Mg\n0.000000 0.000000 0.667308 Mg\n0.266641 0.533282 0.833239 Mg\n0.266641 0.733358 0.833239 Mg\n0.466718 0.733359 0.833239 Mg\n0.066684 0.533342 0.833367 Mg\n0.466658 0.533342 0.833367 Mg\n0.466658 0.933316 0.833367 Mg\n0.266429 0.333092 0.833413 Mg\n0.066662 0.333092 0.833413 Mg\n0.066662 0.733571 0.833413 Mg\n0.666909 0.733571 0.833413 Mg\n0.666909 0.933338 0.833413 Mg\n0.266429 0.933338 0.833413 Mg\n0.866718 0.133281 0.833415 Mg\n0.266563 0.133281 0.833415 Mg\n0.866718 0.733437 0.833415 Mg\n0.466602 0.133296 0.833426 Mg\n0.666694 0.133296 0.833426 Mg\n0.466602 0.333306 0.833426 Mg\n0.866704 0.333306 0.833426 Mg\n0.666694 0.533398 0.833426 Mg\n0.866704 0.533399 0.833426 Mg\n0.666667 0.333333 0.833442 Mg\n0.066216 0.132431 0.834614 Mg\n0.867569 0.933784 0.834614 Mg\n0.066216 0.933785 0.834614 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.761396562020992,
"density_atomic": 0.04385163830833944,
"volume": 3420.6247653801775,
"volume_molar": 13.73298921617427,
"formula_full": "Li1 Mg149",
"formula_reduced": "LiMg149",
"formula_anonymous": "AB149",
"formation_energy": -0.0010081605055588,
"spacegroup": 187
},
{
"id": "oqmd-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-31735",
"created_at": "2022-09-04T14:49:04.588970Z",
"updated_at": "2022-09-04T14:49:04.589000Z",
"structure_string": "Mg149 Fe1\n1.0\n13.758188 -7.943298 0.000000\n0.000000 15.886594 0.000000\n0.000000 0.000000 15.512263\nFe Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Fe\n0.397430 0.000257 0.000000 Mg\n0.602828 0.000257 0.000000 Mg\n0.811178 0.001728 0.000000 Mg\n0.190550 0.001728 0.000000 Mg\n0.998272 0.188821 0.000000 Mg\n0.190550 0.188822 0.000000 Mg\n0.801155 0.198845 0.000000 Mg\n0.397690 0.198845 0.000000 Mg\n0.599752 0.199504 0.000000 Mg\n0.397430 0.397173 0.000000 Mg\n0.999744 0.397173 0.000000 Mg\n0.198628 0.397257 0.000000 Mg\n0.599752 0.400248 0.000000 Mg\n0.800496 0.400248 0.000000 Mg\n0.199540 0.599770 0.000000 Mg\n0.400230 0.599770 0.000000 Mg\n0.801155 0.602310 0.000000 Mg\n0.999744 0.602571 0.000000 Mg\n0.602828 0.602571 0.000000 Mg\n0.400230 0.800460 0.000000 Mg\n0.198628 0.801371 0.000000 Mg\n0.602743 0.801371 0.000000 Mg\n0.811178 0.809450 0.000000 Mg\n0.998272 0.809450 0.000000 Mg\n0.063164 0.126328 0.157726 Mg\n0.873672 0.936836 0.157726 Mg\n0.063164 0.936836 0.157726 Mg\n0.264762 0.331141 0.165642 Mg\n0.066379 0.331142 0.165642 Mg\n0.066379 0.735238 0.165642 Mg\n0.668859 0.735239 0.165642 Mg\n0.264762 0.933621 0.165642 Mg\n0.668859 0.933621 0.165642 Mg\n0.066691 0.533345 0.166347 Mg\n0.466654 0.533346 0.166347 Mg\n0.466654 0.933309 0.166347 Mg\n0.666603 0.133400 0.166698 Mg\n0.466797 0.133400 0.166698 Mg\n0.866600 0.333396 0.166698 Mg\n0.466797 0.333397 0.166698 Mg\n0.666603 0.533203 0.166698 Mg\n0.866600 0.533204 0.166698 Mg\n0.666667 0.333334 0.166784 Mg\n0.266534 0.533068 0.166796 Mg\n0.466931 0.733465 0.166796 Mg\n0.266534 0.733466 0.166796 Mg\n0.865961 0.134039 0.167103 Mg\n0.268078 0.134039 0.167103 Mg\n0.865961 0.731922 0.167103 Mg\n0.198616 0.199188 0.331084 Mg\n0.000573 0.199189 0.331084 Mg\n0.800811 0.801384 0.331084 Mg\n0.000573 0.801384 0.331084 Mg\n0.800811 0.999427 0.331084 Mg\n0.198616 0.999427 0.331084 Mg\n0.000000 0.000000 0.331515 Mg\n0.600338 0.000000 0.333137 Mg\n0.399716 0.000000 0.333137 Mg\n0.399716 0.399662 0.333137 Mg\n0.000000 0.399662 0.333137 Mg\n0.600338 0.600284 0.333137 Mg\n0.000000 0.600284 0.333137 Mg\n0.600021 0.200041 0.333328 Mg\n0.799959 0.399979 0.333328 Mg\n0.600021 0.399980 0.333328 Mg\n0.200097 0.400193 0.333370 Mg\n0.599807 0.799903 0.333370 Mg\n0.200097 0.799904 0.333370 Mg\n0.400004 0.200002 0.333375 Mg\n0.799999 0.200002 0.333375 Mg\n0.799999 0.599996 0.333375 Mg\n0.200005 0.600002 0.333730 Mg\n0.399997 0.600003 0.333730 Mg\n0.399997 0.799995 0.333730 Mg\n0.866780 0.133219 0.500000 Mg\n0.266440 0.133220 0.500000 Mg\n0.066659 0.133318 0.500000 Mg\n0.466910 0.133603 0.500000 Mg\n0.666694 0.133603 0.500000 Mg\n0.266713 0.333107 0.500000 Mg\n0.066394 0.333107 0.500000 Mg\n0.866398 0.333306 0.500000 Mg\n0.466910 0.333307 0.500000 Mg\n0.666667 0.333334 0.500000 Mg\n0.666694 0.533091 0.500000 Mg\n0.866398 0.533091 0.500000 Mg\n0.066461 0.533230 0.500000 Mg\n0.466769 0.533231 0.500000 Mg\n0.266661 0.533322 0.500000 Mg\n0.666893 0.733287 0.500000 Mg\n0.066394 0.733287 0.500000 Mg\n0.466678 0.733339 0.500000 Mg\n0.266661 0.733339 0.500000 Mg\n0.866780 0.733561 0.500000 Mg\n0.866682 0.933340 0.500000 Mg\n0.066659 0.933341 0.500000 Mg\n0.466769 0.933539 0.500000 Mg\n0.666893 0.933606 0.500000 Mg\n0.266713 0.933606 0.500000 Mg\n0.200005 0.600002 0.666270 Mg\n0.399997 0.600003 0.666270 Mg\n0.399997 0.799995 0.666270 Mg\n0.400004 0.200002 0.666625 Mg\n0.799999 0.200002 0.666625 Mg\n0.799999 0.599996 0.666625 Mg\n0.200097 0.400193 0.666631 Mg\n0.599807 0.799903 0.666631 Mg\n0.200097 0.799904 0.666631 Mg\n0.600021 0.200041 0.666673 Mg\n0.799959 0.399979 0.666673 Mg\n0.600021 0.399980 0.666673 Mg\n0.600338 0.000000 0.666863 Mg\n0.399716 0.000000 0.666863 Mg\n0.399716 0.399662 0.666863 Mg\n0.000000 0.399662 0.666863 Mg\n0.600338 0.600284 0.666863 Mg\n0.000000 0.600284 0.666863 Mg\n0.000000 0.000000 0.668485 Mg\n0.198616 0.199188 0.668916 Mg\n0.000573 0.199189 0.668916 Mg\n0.800811 0.801384 0.668916 Mg\n0.000573 0.801384 0.668916 Mg\n0.800811 0.999427 0.668916 Mg\n0.198616 0.999427 0.668916 Mg\n0.865961 0.134039 0.832897 Mg\n0.268078 0.134039 0.832897 Mg\n0.865961 0.731922 0.832897 Mg\n0.266534 0.533068 0.833203 Mg\n0.466931 0.733465 0.833203 Mg\n0.266534 0.733466 0.833203 Mg\n0.666667 0.333334 0.833216 Mg\n0.666603 0.133400 0.833302 Mg\n0.466797 0.133400 0.833302 Mg\n0.866600 0.333396 0.833302 Mg\n0.466797 0.333397 0.833302 Mg\n0.666603 0.533203 0.833302 Mg\n0.866600 0.533204 0.833302 Mg\n0.066691 0.533345 0.833653 Mg\n0.466654 0.533346 0.833653 Mg\n0.466654 0.933309 0.833653 Mg\n0.264762 0.331141 0.834358 Mg\n0.066379 0.331142 0.834358 Mg\n0.066379 0.735238 0.834358 Mg\n0.668859 0.735239 0.834358 Mg\n0.264762 0.933621 0.834358 Mg\n0.668859 0.933621 0.834358 Mg\n0.063164 0.126328 0.842275 Mg\n0.873672 0.936836 0.842275 Mg\n0.063164 0.936836 0.842275 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Fe",
"Mg"
],
"chemical_system": "Fe-Mg",
"density": 1.8009837011728775,
"density_atomic": 0.04424091120911153,
"volume": 3390.5269105105394,
"volume_molar": 13.612153537108265,
"formula_full": "Mg149 Fe1",
"formula_reduced": "Mg149Fe",
"formula_anonymous": "AB149",
"formation_energy": 0.0102342226944412,
"spacegroup": 187
},
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"created_at": "2022-09-04T14:49:01.039022Z",
"updated_at": "2022-09-04T14:49:01.039043Z",
"structure_string": "Mg149 Cl1\n1.0\n13.792360 -7.963026 0.000000\n0.000000 15.926053 0.000000\n0.000000 0.000000 15.622175\nCl Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cl\n0.202648 0.000749 0.000000 Mg\n0.798101 0.000749 0.000000 Mg\n0.799813 0.200187 0.000000 Mg\n0.400375 0.200187 0.000000 Mg\n0.600232 0.200464 0.000000 Mg\n0.999250 0.201898 0.000000 Mg\n0.202648 0.201899 0.000000 Mg\n0.199769 0.399539 0.000000 Mg\n0.600232 0.399768 0.000000 Mg\n0.799536 0.399768 0.000000 Mg\n0.400819 0.401328 0.000000 Mg\n0.000509 0.401328 0.000000 Mg\n0.598672 0.599181 0.000000 Mg\n0.000509 0.599181 0.000000 Mg\n0.799813 0.599626 0.000000 Mg\n0.200549 0.600275 0.000000 Mg\n0.399726 0.600275 0.000000 Mg\n0.999250 0.797352 0.000000 Mg\n0.798101 0.797352 0.000000 Mg\n0.399726 0.799451 0.000000 Mg\n0.199769 0.800231 0.000000 Mg\n0.600461 0.800231 0.000000 Mg\n0.598672 0.999491 0.000000 Mg\n0.400819 0.999491 0.000000 Mg\n0.666667 0.333333 0.166162 Mg\n0.666836 0.133088 0.166273 Mg\n0.466252 0.133088 0.166273 Mg\n0.466252 0.333164 0.166273 Mg\n0.866912 0.333164 0.166273 Mg\n0.866912 0.533748 0.166273 Mg\n0.666836 0.533748 0.166273 Mg\n0.266567 0.533134 0.166472 Mg\n0.266567 0.733433 0.166472 Mg\n0.466866 0.733433 0.166472 Mg\n0.066523 0.333137 0.166569 Mg\n0.266615 0.333138 0.166569 Mg\n0.666862 0.733385 0.166569 Mg\n0.066523 0.733385 0.166569 Mg\n0.666862 0.933477 0.166569 Mg\n0.266615 0.933477 0.166569 Mg\n0.265501 0.132750 0.166742 Mg\n0.867250 0.132751 0.166742 Mg\n0.867250 0.734499 0.166742 Mg\n0.466587 0.533413 0.166988 Mg\n0.066827 0.533414 0.166988 Mg\n0.466587 0.933173 0.166988 Mg\n0.067198 0.134396 0.168487 Mg\n0.865604 0.932802 0.168487 Mg\n0.067198 0.932802 0.168487 Mg\n0.000000 0.000000 0.331605 Mg\n0.399802 0.199901 0.332863 Mg\n0.800099 0.199901 0.332863 Mg\n0.800099 0.600198 0.332863 Mg\n0.600025 0.200050 0.332966 Mg\n0.600025 0.399974 0.332966 Mg\n0.799949 0.399975 0.332966 Mg\n0.199904 0.399808 0.333036 Mg\n0.199904 0.800096 0.333036 Mg\n0.600192 0.800096 0.333036 Mg\n0.399978 0.600022 0.333324 Mg\n0.200045 0.600023 0.333324 Mg\n0.399978 0.799956 0.333324 Mg\n0.400119 0.000000 0.333347 Mg\n0.599933 0.000000 0.333347 Mg\n0.000000 0.400067 0.333347 Mg\n0.400119 0.400067 0.333347 Mg\n0.599933 0.599881 0.333347 Mg\n0.000000 0.599882 0.333347 Mg\n0.000000 0.200349 0.334130 Mg\n0.200286 0.200349 0.334130 Mg\n0.799651 0.799714 0.334130 Mg\n0.000000 0.799715 0.334130 Mg\n0.200286 0.000000 0.334130 Mg\n0.799651 0.000000 0.334130 Mg\n0.066543 0.133085 0.500000 Mg\n0.866546 0.133453 0.500000 Mg\n0.266906 0.133453 0.500000 Mg\n0.666741 0.133627 0.500000 Mg\n0.466886 0.133627 0.500000 Mg\n0.866373 0.333259 0.500000 Mg\n0.466886 0.333259 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066785 0.333446 0.500000 Mg\n0.266661 0.333446 0.500000 Mg\n0.866373 0.533114 0.500000 Mg\n0.666741 0.533114 0.500000 Mg\n0.466620 0.533380 0.500000 Mg\n0.066760 0.533380 0.500000 Mg\n0.266767 0.533533 0.500000 Mg\n0.866546 0.733093 0.500000 Mg\n0.266767 0.733233 0.500000 Mg\n0.466466 0.733233 0.500000 Mg\n0.666554 0.733338 0.500000 Mg\n0.066785 0.733339 0.500000 Mg\n0.266661 0.933215 0.500000 Mg\n0.666554 0.933215 0.500000 Mg\n0.466620 0.933240 0.500000 Mg\n0.066543 0.933457 0.500000 Mg\n0.866915 0.933458 0.500000 Mg\n0.000000 0.200349 0.665870 Mg\n0.200286 0.200349 0.665870 Mg\n0.799651 0.799714 0.665870 Mg\n0.000000 0.799715 0.665870 Mg\n0.200286 0.000000 0.665870 Mg\n0.799651 0.000000 0.665870 Mg\n0.400119 0.000000 0.666653 Mg\n0.599933 0.000000 0.666653 Mg\n0.000000 0.400067 0.666653 Mg\n0.400119 0.400067 0.666653 Mg\n0.599933 0.599881 0.666653 Mg\n0.000000 0.599882 0.666653 Mg\n0.399978 0.600022 0.666676 Mg\n0.200045 0.600023 0.666676 Mg\n0.399978 0.799956 0.666676 Mg\n0.199904 0.399808 0.666963 Mg\n0.199904 0.800096 0.666963 Mg\n0.600192 0.800096 0.666963 Mg\n0.600025 0.200050 0.667035 Mg\n0.600025 0.399974 0.667035 Mg\n0.799949 0.399975 0.667035 Mg\n0.399802 0.199901 0.667137 Mg\n0.800099 0.199901 0.667137 Mg\n0.800099 0.600198 0.667137 Mg\n0.000000 0.000000 0.668395 Mg\n0.067198 0.134396 0.831513 Mg\n0.865604 0.932802 0.831513 Mg\n0.067198 0.932802 0.831513 Mg\n0.466587 0.533413 0.833012 Mg\n0.066827 0.533414 0.833012 Mg\n0.466587 0.933173 0.833012 Mg\n0.265501 0.132750 0.833257 Mg\n0.867250 0.132751 0.833257 Mg\n0.867250 0.734499 0.833257 Mg\n0.066523 0.333137 0.833431 Mg\n0.266615 0.333138 0.833431 Mg\n0.666862 0.733385 0.833431 Mg\n0.066523 0.733385 0.833431 Mg\n0.666862 0.933477 0.833431 Mg\n0.266615 0.933477 0.833431 Mg\n0.266567 0.533134 0.833528 Mg\n0.266567 0.733433 0.833528 Mg\n0.466866 0.733433 0.833528 Mg\n0.666836 0.133088 0.833727 Mg\n0.466252 0.133088 0.833727 Mg\n0.466252 0.333164 0.833727 Mg\n0.866912 0.333164 0.833727 Mg\n0.866912 0.533748 0.833727 Mg\n0.666836 0.533748 0.833727 Mg\n0.666667 0.333333 0.833838 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Cl",
"Mg"
],
"chemical_system": "Cl-Mg",
"density": 1.76959427641786,
"density_atomic": 0.04371223571601441,
"volume": 3431.533472103922,
"volume_molar": 13.776785061107569,
"formula_full": "Mg149 Cl1",
"formula_reduced": "Mg149Cl",
"formula_anonymous": "AB149",
"formation_energy": -0.0063220309430196,
"spacegroup": 187
},
{
"id": "oqmd-31717",
"created_at": "2022-09-04T14:49:01.155542Z",
"updated_at": "2022-09-04T14:49:01.155576Z",
"structure_string": "Mg149 B1\n1.0\n13.757037 -7.942633 0.000000\n0.000000 15.885265 0.000000\n0.000000 0.000000 15.584184\nB Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 B\n0.192582 0.001649 0.000000 Mg\n0.809067 0.001649 0.000000 Mg\n0.192582 0.190934 0.000000 Mg\n0.998352 0.190934 0.000000 Mg\n0.397887 0.198943 0.000000 Mg\n0.801057 0.198944 0.000000 Mg\n0.599886 0.199771 0.000000 Mg\n0.198189 0.396379 0.000000 Mg\n0.398690 0.398701 0.000000 Mg\n0.000000 0.398701 0.000000 Mg\n0.800229 0.400115 0.000000 Mg\n0.599886 0.400115 0.000000 Mg\n0.400178 0.599821 0.000000 Mg\n0.199643 0.599821 0.000000 Mg\n0.000000 0.601310 0.000000 Mg\n0.601300 0.601311 0.000000 Mg\n0.801057 0.602113 0.000000 Mg\n0.400178 0.800357 0.000000 Mg\n0.198189 0.801810 0.000000 Mg\n0.603621 0.801810 0.000000 Mg\n0.809067 0.807418 0.000000 Mg\n0.998352 0.807419 0.000000 Mg\n0.398690 0.000000 0.000000 Mg\n0.601300 0.000000 0.000000 Mg\n0.063791 0.127581 0.159516 Mg\n0.872419 0.936209 0.159516 Mg\n0.063791 0.936209 0.159516 Mg\n0.065751 0.330635 0.165483 Mg\n0.264883 0.330635 0.165483 Mg\n0.065751 0.735117 0.165483 Mg\n0.669366 0.735117 0.165483 Mg\n0.669366 0.934249 0.165483 Mg\n0.264883 0.934249 0.165483 Mg\n0.266145 0.532289 0.165931 Mg\n0.266145 0.733855 0.165931 Mg\n0.467710 0.733855 0.165931 Mg\n0.066490 0.533245 0.166068 Mg\n0.466755 0.533245 0.166068 Mg\n0.466755 0.933509 0.166068 Mg\n0.466635 0.133366 0.166419 Mg\n0.666731 0.133366 0.166419 Mg\n0.866634 0.333269 0.166419 Mg\n0.466635 0.333269 0.166419 Mg\n0.866634 0.533364 0.166419 Mg\n0.666731 0.533365 0.166419 Mg\n0.666667 0.333333 0.166423 Mg\n0.866381 0.133619 0.167051 Mg\n0.267238 0.133619 0.167051 Mg\n0.866381 0.732763 0.167051 Mg\n0.000000 0.000000 0.330591 Mg\n0.000375 0.199135 0.332264 Mg\n0.198761 0.199136 0.332264 Mg\n0.000375 0.801239 0.332264 Mg\n0.800864 0.801239 0.332264 Mg\n0.800864 0.999625 0.332264 Mg\n0.198761 0.999625 0.332264 Mg\n0.199731 0.399462 0.332621 Mg\n0.199731 0.800269 0.332621 Mg\n0.600538 0.800269 0.332621 Mg\n0.000196 0.399584 0.332746 Mg\n0.399388 0.399584 0.332746 Mg\n0.000196 0.600612 0.332746 Mg\n0.600416 0.600612 0.332746 Mg\n0.600416 0.999803 0.332746 Mg\n0.399388 0.999804 0.332746 Mg\n0.399999 0.600000 0.332962 Mg\n0.200002 0.600001 0.332962 Mg\n0.399999 0.799998 0.332962 Mg\n0.599909 0.199818 0.333133 Mg\n0.599909 0.400091 0.333133 Mg\n0.800182 0.400091 0.333133 Mg\n0.800260 0.199739 0.333282 Mg\n0.399479 0.199740 0.333282 Mg\n0.800260 0.600521 0.333282 Mg\n0.066336 0.132672 0.500000 Mg\n0.266174 0.133087 0.500000 Mg\n0.866913 0.133087 0.500000 Mg\n0.666628 0.133245 0.500000 Mg\n0.466617 0.133245 0.500000 Mg\n0.266230 0.332579 0.500000 Mg\n0.066349 0.332579 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866755 0.333372 0.500000 Mg\n0.466617 0.333372 0.500000 Mg\n0.266520 0.533041 0.500000 Mg\n0.066571 0.533285 0.500000 Mg\n0.466715 0.533286 0.500000 Mg\n0.666628 0.533383 0.500000 Mg\n0.866755 0.533383 0.500000 Mg\n0.466959 0.733479 0.500000 Mg\n0.266520 0.733479 0.500000 Mg\n0.066349 0.733770 0.500000 Mg\n0.667421 0.733770 0.500000 Mg\n0.866913 0.733825 0.500000 Mg\n0.466715 0.933429 0.500000 Mg\n0.667421 0.933652 0.500000 Mg\n0.266230 0.933652 0.500000 Mg\n0.066336 0.933664 0.500000 Mg\n0.867328 0.933664 0.500000 Mg\n0.800260 0.199739 0.666718 Mg\n0.399479 0.199740 0.666718 Mg\n0.800260 0.600521 0.666718 Mg\n0.599909 0.199818 0.666867 Mg\n0.599909 0.400091 0.666867 Mg\n0.800182 0.400091 0.666867 Mg\n0.399999 0.600000 0.667038 Mg\n0.200002 0.600001 0.667038 Mg\n0.399999 0.799998 0.667038 Mg\n0.000196 0.399584 0.667254 Mg\n0.399388 0.399584 0.667254 Mg\n0.000196 0.600612 0.667254 Mg\n0.600416 0.600612 0.667254 Mg\n0.600416 0.999803 0.667254 Mg\n0.399388 0.999804 0.667254 Mg\n0.199731 0.399462 0.667379 Mg\n0.199731 0.800269 0.667379 Mg\n0.600538 0.800269 0.667379 Mg\n0.000375 0.199135 0.667736 Mg\n0.198761 0.199136 0.667736 Mg\n0.000375 0.801239 0.667736 Mg\n0.800864 0.801239 0.667736 Mg\n0.800864 0.999625 0.667736 Mg\n0.198761 0.999625 0.667736 Mg\n0.000000 0.000000 0.669409 Mg\n0.866381 0.133619 0.832949 Mg\n0.267238 0.133619 0.832949 Mg\n0.866381 0.732763 0.832949 Mg\n0.666667 0.333333 0.833577 Mg\n0.466635 0.133366 0.833581 Mg\n0.666731 0.133366 0.833581 Mg\n0.866634 0.333269 0.833581 Mg\n0.466635 0.333269 0.833581 Mg\n0.866634 0.533364 0.833581 Mg\n0.666731 0.533365 0.833581 Mg\n0.066490 0.533245 0.833931 Mg\n0.466755 0.533245 0.833931 Mg\n0.466755 0.933509 0.833931 Mg\n0.266145 0.532289 0.834069 Mg\n0.266145 0.733855 0.834069 Mg\n0.467710 0.733855 0.834069 Mg\n0.065751 0.330635 0.834518 Mg\n0.264883 0.330635 0.834518 Mg\n0.065751 0.735117 0.834518 Mg\n0.669366 0.735117 0.834518 Mg\n0.669366 0.934249 0.834518 Mg\n0.264883 0.934249 0.834518 Mg\n0.063791 0.127581 0.840484 Mg\n0.872419 0.936209 0.840484 Mg\n0.063791 0.936209 0.840484 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"B",
"Mg"
],
"chemical_system": "B-Mg",
"density": 1.7710144740378013,
"density_atomic": 0.04404410834893812,
"volume": 3405.6768458480196,
"volume_molar": 13.67297689917973,
"formula_full": "Mg149 B1",
"formula_reduced": "Mg149B",
"formula_anonymous": "AB149",
"formation_energy": 0.0195602923611078,
"spacegroup": 187
},
{
"id": "oqmd-31769",
"created_at": "2022-09-04T14:49:00.955879Z",
"updated_at": "2022-09-04T14:49:00.955902Z",
"structure_string": "Rb1 Mg149\n1.0\n13.836445 -7.988479 0.000000\n0.000000 15.976958 0.000000\n0.000000 0.000000 15.675066\nMg Rb\n149 1\ndirect\n0.600407 0.200815 0.000000 Mg\n0.798960 0.201039 0.000000 Mg\n0.402079 0.201040 0.000000 Mg\n0.002318 0.212249 0.000000 Mg\n0.209932 0.212249 0.000000 Mg\n0.600407 0.399592 0.000000 Mg\n0.799185 0.399593 0.000000 Mg\n0.000533 0.403012 0.000000 Mg\n0.402479 0.403013 0.000000 Mg\n0.201954 0.403909 0.000000 Mg\n0.596987 0.597521 0.000000 Mg\n0.000533 0.597521 0.000000 Mg\n0.798960 0.597921 0.000000 Mg\n0.399429 0.600571 0.000000 Mg\n0.201141 0.600571 0.000000 Mg\n0.002318 0.790068 0.000000 Mg\n0.787751 0.790068 0.000000 Mg\n0.201954 0.798045 0.000000 Mg\n0.596091 0.798046 0.000000 Mg\n0.399429 0.798859 0.000000 Mg\n0.787751 0.997682 0.000000 Mg\n0.209932 0.997683 0.000000 Mg\n0.596987 0.999466 0.000000 Mg\n0.402479 0.999467 0.000000 Mg\n0.263208 0.131604 0.165188 Mg\n0.868396 0.131604 0.165188 Mg\n0.868396 0.736792 0.165188 Mg\n0.666667 0.333333 0.166326 Mg\n0.465805 0.132941 0.166473 Mg\n0.667137 0.132942 0.166473 Mg\n0.867058 0.332863 0.166473 Mg\n0.465805 0.332863 0.166473 Mg\n0.867058 0.534195 0.166473 Mg\n0.667137 0.534196 0.166473 Mg\n0.267168 0.534336 0.167358 Mg\n0.465664 0.732832 0.167358 Mg\n0.267168 0.732832 0.167358 Mg\n0.466569 0.533431 0.167773 Mg\n0.066863 0.533431 0.167773 Mg\n0.466569 0.933137 0.167773 Mg\n0.268719 0.336363 0.168012 Mg\n0.067645 0.336364 0.168012 Mg\n0.663637 0.731281 0.168012 Mg\n0.067645 0.731281 0.168012 Mg\n0.268719 0.932355 0.168012 Mg\n0.663637 0.932355 0.168012 Mg\n0.070470 0.140940 0.175644 Mg\n0.070470 0.929530 0.175644 Mg\n0.859060 0.929530 0.175644 Mg\n0.400066 0.200033 0.332697 Mg\n0.799967 0.200033 0.332697 Mg\n0.799967 0.599934 0.332697 Mg\n0.600086 0.200173 0.333012 Mg\n0.600086 0.399913 0.333012 Mg\n0.799827 0.399913 0.333012 Mg\n0.399996 0.600004 0.333764 Mg\n0.200008 0.600004 0.333764 Mg\n0.399996 0.799992 0.333764 Mg\n0.200084 0.400167 0.333870 Mg\n0.200084 0.799916 0.333870 Mg\n0.599833 0.799916 0.333870 Mg\n0.599517 0.000255 0.333905 Mg\n0.400738 0.000255 0.333905 Mg\n0.999745 0.400483 0.333905 Mg\n0.400738 0.400483 0.333905 Mg\n0.999745 0.599262 0.333905 Mg\n0.599517 0.599262 0.333905 Mg\n0.000000 0.000000 0.333988 Mg\n0.201718 0.000578 0.335528 Mg\n0.798860 0.000578 0.335528 Mg\n0.201718 0.201140 0.335528 Mg\n0.999422 0.201140 0.335528 Mg\n0.999422 0.798282 0.335528 Mg\n0.798860 0.798282 0.335528 Mg\n0.066721 0.133441 0.500000 Mg\n0.866294 0.133706 0.500000 Mg\n0.267412 0.133706 0.500000 Mg\n0.666918 0.133932 0.500000 Mg\n0.467014 0.133932 0.500000 Mg\n0.467014 0.333082 0.500000 Mg\n0.866069 0.333082 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.267017 0.334103 0.500000 Mg\n0.067086 0.334103 0.500000 Mg\n0.666918 0.532986 0.500000 Mg\n0.866069 0.532986 0.500000 Mg\n0.066661 0.533331 0.500000 Mg\n0.466670 0.533331 0.500000 Mg\n0.266857 0.533713 0.500000 Mg\n0.866294 0.732588 0.500000 Mg\n0.665897 0.732983 0.500000 Mg\n0.067086 0.732983 0.500000 Mg\n0.466287 0.733143 0.500000 Mg\n0.266857 0.733144 0.500000 Mg\n0.267017 0.932914 0.500000 Mg\n0.665897 0.932915 0.500000 Mg\n0.066721 0.933279 0.500000 Mg\n0.866559 0.933279 0.500000 Mg\n0.466670 0.933339 0.500000 Mg\n0.201718 0.000578 0.664472 Mg\n0.798860 0.000578 0.664472 Mg\n0.201718 0.201140 0.664472 Mg\n0.999422 0.201140 0.664472 Mg\n0.999422 0.798282 0.664472 Mg\n0.798860 0.798282 0.664472 Mg\n0.000000 0.000000 0.666013 Mg\n0.599517 0.000255 0.666095 Mg\n0.400738 0.000255 0.666095 Mg\n0.999745 0.400483 0.666095 Mg\n0.400738 0.400483 0.666095 Mg\n0.999745 0.599262 0.666095 Mg\n0.599517 0.599262 0.666095 Mg\n0.200084 0.400167 0.666130 Mg\n0.200084 0.799916 0.666130 Mg\n0.599833 0.799916 0.666130 Mg\n0.399996 0.600004 0.666235 Mg\n0.200008 0.600004 0.666235 Mg\n0.399996 0.799992 0.666235 Mg\n0.600086 0.200173 0.666988 Mg\n0.600086 0.399913 0.666988 Mg\n0.799827 0.399913 0.666988 Mg\n0.400066 0.200033 0.667304 Mg\n0.799967 0.200033 0.667304 Mg\n0.799967 0.599934 0.667304 Mg\n0.070470 0.140940 0.824356 Mg\n0.070470 0.929530 0.824356 Mg\n0.859060 0.929530 0.824356 Mg\n0.268719 0.336363 0.831988 Mg\n0.067645 0.336364 0.831988 Mg\n0.663637 0.731281 0.831988 Mg\n0.067645 0.731281 0.831988 Mg\n0.268719 0.932355 0.831988 Mg\n0.663637 0.932355 0.831988 Mg\n0.466569 0.533431 0.832227 Mg\n0.066863 0.533431 0.832227 Mg\n0.466569 0.933137 0.832227 Mg\n0.267168 0.534336 0.832643 Mg\n0.465664 0.732832 0.832643 Mg\n0.267168 0.732832 0.832643 Mg\n0.465805 0.132941 0.833528 Mg\n0.667137 0.132942 0.833528 Mg\n0.867058 0.332863 0.833528 Mg\n0.465805 0.332863 0.833528 Mg\n0.867058 0.534195 0.833528 Mg\n0.667137 0.534196 0.833528 Mg\n0.666667 0.333333 0.833674 Mg\n0.263208 0.131604 0.834812 Mg\n0.868396 0.131604 0.834812 Mg\n0.868396 0.736792 0.834812 Mg\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Rb"
],
"chemical_system": "Mg-Rb",
"density": 1.7763701826828355,
"density_atomic": 0.04328757592711567,
"volume": 3465.1975026866508,
"volume_molar": 13.911938081586326,
"formula_full": "Rb1 Mg149",
"formula_reduced": "RbMg149",
"formula_anonymous": "AB149",
"formation_energy": 0.013680288694441,
"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,
"volume_molar": 13.739970712763952,
"formula_full": "Mg149 V1",
"formula_reduced": "Mg149V",
"formula_anonymous": "AB149",
"formation_energy": 0.0075220003611078,
"spacegroup": 187
}
]
}