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{
"id": "mp-1521000",
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"structure_string": "Ba4 Sr4 Ce4 Zr4 O24\n1.0\n8.603131 0.000000 0.000000\n0.000000 8.611446 0.000000\n0.000000 0.000000 8.619080\nBa Sr Ce Zr O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.750022 0.752790 0.750451 Ce\n0.249978 0.247210 0.750451 Ce\n0.249978 0.752790 0.249550 Ce\n0.750022 0.247210 0.249550 Ce\n0.249878 0.246903 0.249469 Zr\n0.750122 0.753097 0.249469 Zr\n0.750122 0.246903 0.750531 Zr\n0.249878 0.753097 0.750531 Zr\n0.007639 0.209490 0.286041 O\n0.992361 0.790510 0.286041 O\n0.992361 0.209490 0.713959 O\n0.007639 0.790510 0.713959 O\n0.285444 0.006694 0.208900 O\n0.285444 0.993306 0.791100 O\n0.714556 0.993306 0.208900 O\n0.714556 0.006694 0.791100 O\n0.209915 0.282398 0.007631 O\n0.790085 0.282398 0.992369 O\n0.209915 0.717602 0.992369 O\n0.790085 0.717602 0.007631 O\n0.493388 0.276055 0.222964 O\n0.506612 0.723945 0.222964 O\n0.506612 0.276055 0.777036 O\n0.493388 0.723945 0.777036 O\n0.225416 0.492213 0.277820 O\n0.225416 0.507787 0.722180 O\n0.774584 0.507787 0.277820 O\n0.774584 0.492213 0.722180 O\n0.285433 0.214517 0.492648 O\n0.714567 0.214517 0.507352 O\n0.285433 0.785483 0.507352 O\n0.714567 0.785483 0.492648 O\n",
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{
"id": "mp-691121",
"created_at": "2022-09-04T14:43:12.474873Z",
"structure_string": "Sr3 La5 Mn8 O24\n1.0\n5.577111 5.534677 0.000000\n-5.577111 5.534677 0.000000\n0.000000 5.450595 7.864072\nSr La Mn O\n3 5 8 24\ndirect\n0.124488 0.875512 0.000000 Sr\n0.376333 0.623667 0.500000 Sr\n0.624313 0.375687 0.000000 Sr\n0.624118 0.874361 0.002048 La\n0.875086 0.124914 0.500000 La\n0.125639 0.375882 0.997952 La\n0.374950 0.124926 0.499801 La\n0.875074 0.625050 0.500199 La\n0.999756 0.749009 0.751016 Mn\n0.499430 0.250505 0.750134 Mn\n0.499398 0.749188 0.750605 Mn\n0.749721 0.999696 0.249382 Mn\n0.000304 0.250279 0.750618 Mn\n0.250812 0.500602 0.249395 Mn\n0.250991 0.000244 0.248984 Mn\n0.749495 0.500570 0.249866 Mn\n0.401885 0.096616 0.000013 O\n0.489005 0.969792 0.271810 O\n0.264215 0.792474 0.721481 O\n0.657001 0.853410 0.499666 O\n0.712293 0.233910 0.281683 O\n0.539172 0.013078 0.723782 O\n0.903384 0.598115 0.999987 O\n0.956856 0.989074 0.772283 O\n0.986922 0.460828 0.276218 O\n0.780855 0.759501 0.230993 O\n0.766090 0.287707 0.718317 O\n0.854951 0.145049 0.000000 O\n0.146590 0.342999 0.500334 O\n0.240499 0.219145 0.769007 O\n0.207526 0.735785 0.278519 O\n0.010926 0.043144 0.227717 O\n0.030208 0.510995 0.728190 O\n0.098649 0.901351 0.500000 O\n0.460690 0.486894 0.776214 O\n0.277256 0.259050 0.231804 O\n0.353901 0.646099 0.000000 O\n0.740950 0.722744 0.768196 O\n0.513106 0.539310 0.223786 O\n0.607165 0.392835 0.500000 O\n",
"nsites": 40,
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"elements": [
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"La",
"Mn",
"O"
],
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"volume": 485.48861040144493,
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"formula_full": "Sr3 La5 Mn8 O24",
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"formula_anonymous": "A3B5C8D24",
"energy": -334.99320423,
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"updated_at": "2021-11-28T01:36:05.451000Z",
"spacegroup": 5
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{
"id": "mp-1217147",
"created_at": "2022-09-04T14:39:15.628285Z",
"structure_string": "Tl1 Co16 Sb48\n1.0\n4.555730 6.445774 0.000000\n-4.555730 6.445774 0.000000\n0.000000 0.012656 25.755121\nTl Co Sb\n1 16 48\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250181 0.749781 0.875000 Co\n0.749968 0.250085 0.625109 Co\n0.250032 0.749915 0.374891 Co\n0.749819 0.250219 0.125000 Co\n0.499945 0.999938 0.750122 Co\n0.000000 0.500000 0.500000 Co\n0.500055 0.000062 0.249878 Co\n0.000000 0.500000 0.000000 Co\n0.999938 0.499945 0.750122 Co\n0.500000 0.000000 0.500000 Co\n0.000062 0.500055 0.249878 Co\n0.500000 0.000000 0.000000 Co\n0.749781 0.250181 0.875000 Co\n0.250085 0.749968 0.625109 Co\n0.749915 0.250032 0.374891 Co\n0.250219 0.749819 0.125000 Co\n0.506015 0.824962 0.832617 Sb\n0.006829 0.326139 0.583296 Sb\n0.506959 0.826410 0.333470 Sb\n0.007596 0.329967 0.084606 Sb\n0.992404 0.670033 0.915394 Sb\n0.493041 0.173590 0.666530 Sb\n0.993171 0.673861 0.416704 Sb\n0.493985 0.175038 0.167383 Sb\n0.824962 0.506015 0.832617 Sb\n0.326139 0.006829 0.583296 Sb\n0.826410 0.506959 0.333470 Sb\n0.329967 0.007596 0.084606 Sb\n0.670033 0.992404 0.915394 Sb\n0.173590 0.493041 0.666530 Sb\n0.673861 0.993171 0.416704 Sb\n0.175038 0.493985 0.167383 Sb\n0.416615 0.744752 0.959620 Sb\n0.913249 0.246818 0.709966 Sb\n0.413184 0.746594 0.460109 Sb\n0.913392 0.246334 0.210372 Sb\n0.086608 0.753666 0.789628 Sb\n0.586816 0.253406 0.539891 Sb\n0.086751 0.753182 0.290034 Sb\n0.583385 0.255248 0.040380 Sb\n0.753666 0.086608 0.789628 Sb\n0.253406 0.586816 0.539891 Sb\n0.753182 0.086751 0.290034 Sb\n0.255248 0.583385 0.040380 Sb\n0.744752 0.416615 0.959620 Sb\n0.246818 0.913249 0.709966 Sb\n0.746594 0.413184 0.460109 Sb\n0.246334 0.913392 0.210372 Sb\n0.254910 0.254910 0.792594 Sb\n0.753808 0.753808 0.543370 Sb\n0.253619 0.253619 0.293587 Sb\n0.750659 0.750659 0.044373 Sb\n0.249341 0.249341 0.955627 Sb\n0.746381 0.746381 0.706413 Sb\n0.246192 0.246192 0.456630 Sb\n0.745090 0.745090 0.207406 Sb\n0.413986 0.413986 0.872442 Sb\n0.913167 0.913167 0.623191 Sb\n0.413263 0.413262 0.373290 Sb\n0.911985 0.911985 0.125029 Sb\n0.088015 0.088015 0.874971 Sb\n0.586738 0.586738 0.626710 Sb\n0.086833 0.086833 0.376809 Sb\n0.586014 0.586014 0.127558 Sb\n",
"nsites": 65,
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"elements": [
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],
"chemical_system": "Co-Sb-Tl",
"density": 7.675578291180563,
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"volume": 1512.6088666682283,
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"formula_full": "Tl1 Co16 Sb48",
"formula_reduced": "Tl(CoSb3)16",
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"energy": -334.99820703,
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"updated_at": "2021-11-28T01:34:36.774000Z",
"spacegroup": 12
},
{
"id": "mp-1577488",
"created_at": "2022-09-04T14:45:17.268363Z",
"structure_string": "Na8 Co4 Si4 C4 O28\n1.0\n-0.000003 6.292022 0.000004\n0.054738 0.000009 10.299205\n9.624271 -0.000008 -5.348373\nNa Co Si C O\n8 4 4 4 28\ndirect\n0.003957 0.245178 0.237891 Na\n0.999168 0.739286 0.243438 Na\n0.496043 0.245181 0.237893 Na\n0.500832 0.739285 0.243437 Na\n0.503941 0.754831 0.762121 Na\n0.499193 0.260719 0.756553 Na\n0.996058 0.754835 0.762121 Na\n0.000809 0.260720 0.756553 Na\n0.750000 0.091027 0.374665 Co\n0.250001 0.908994 0.625382 Co\n0.750000 0.605492 0.400356 Co\n0.250000 0.394535 0.599650 Co\n0.250000 0.559390 0.426152 Si\n0.250000 0.049408 0.429591 Si\n0.750000 0.440646 0.573863 Si\n0.750000 0.950584 0.570430 Si\n0.750001 0.391871 0.056132 C\n0.749999 0.904022 0.074876 C\n0.249998 0.608079 0.943856 C\n0.250001 0.096009 0.925100 C\n0.250001 0.138862 0.054884 O\n0.249999 0.677896 0.076157 O\n0.749999 0.861188 0.945088 O\n0.750001 0.321939 0.923831 O\n0.750001 0.533398 0.120851 O\n0.749999 0.046022 0.161371 O\n0.250000 0.466555 0.879043 O\n0.250001 0.953978 0.838622 O\n0.750000 0.320209 0.124170 O\n0.750000 0.813501 0.122635 O\n0.249997 0.679849 0.875919 O\n0.250001 0.186462 0.877288 O\n0.750000 0.297964 0.416829 O\n0.750000 0.800439 0.419399 O\n0.250000 0.702032 0.583183 O\n0.250001 0.199584 0.580591 O\n0.250000 0.399520 0.429540 O\n0.249999 0.896993 0.444691 O\n0.750000 0.600497 0.570453 O\n0.750001 0.103026 0.555368 O\n0.032439 0.555466 0.339923 O\n0.036995 0.042478 0.338597 O\n0.467560 0.555465 0.339923 O\n0.463005 0.042477 0.338598 O\n0.532436 0.444579 0.660088 O\n0.537010 0.957476 0.661404 O\n0.967564 0.444578 0.660088 O\n0.962990 0.957475 0.661404 O\n",
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"formula_full": "Na8 Co4 Si4 C4 O28",
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{
"id": "mp-1577058",
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"structure_string": "Na8 Co4 Si4 C4 O28\n1.0\n-0.000001 6.307925 0.000003\n0.065293 0.000004 10.296896\n9.586303 -0.000001 -0.189491\nNa Co Si C O\n8 4 4 4 28\ndirect\n0.005911 0.127527 0.238506 Na\n0.998200 0.614867 0.241495 Na\n0.494091 0.127527 0.238507 Na\n0.501802 0.614864 0.241491 Na\n0.498204 0.385145 0.758518 Na\n0.505917 0.872473 0.761466 Na\n0.001796 0.385149 0.758519 Na\n0.994084 0.872473 0.761467 Na\n0.749999 0.908576 0.365553 Co\n0.250000 0.091420 0.634407 Co\n0.750000 0.394654 0.398840 Co\n0.250000 0.605367 0.601160 Co\n0.250000 0.336639 0.434588 Si\n0.250000 0.847840 0.424502 Si\n0.750000 0.152159 0.575500 Si\n0.749999 0.663376 0.565410 Si\n0.750001 0.364608 0.058265 C\n0.750001 0.864891 0.077193 C\n0.249999 0.135061 0.922839 C\n0.250000 0.635393 0.941749 C\n0.249999 0.119842 0.054334 O\n0.250000 0.632312 0.074736 O\n0.750000 0.367665 0.925274 O\n0.750000 0.880087 0.945678 O\n0.750002 0.470006 0.130318 O\n0.750000 0.969148 0.157632 O\n0.250001 0.030824 0.842353 O\n0.250000 0.530000 0.869686 O\n0.749999 0.255501 0.120360 O\n0.750001 0.754551 0.135697 O\n0.249999 0.245403 0.864385 O\n0.250000 0.744500 0.879662 O\n0.750000 0.095082 0.415644 O\n0.749998 0.580223 0.418347 O\n0.250000 0.419798 0.581651 O\n0.250000 0.904932 0.584331 O\n0.250000 0.177317 0.459046 O\n0.250001 0.686500 0.423657 O\n0.750000 0.313504 0.576326 O\n0.749999 0.822718 0.540974 O\n0.033687 0.367267 0.342625 O\n0.039551 0.893446 0.335084 O\n0.466312 0.367268 0.342624 O\n0.460448 0.893447 0.335083 O\n0.539522 0.106554 0.664884 O\n0.533680 0.632773 0.657376 O\n0.960478 0.106554 0.664884 O\n0.966319 0.632772 0.657375 O\n",
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{
"id": "mp-1197233",
"created_at": "2022-09-04T14:48:15.354583Z",
"structure_string": "Pu8 Tc4 B24\n1.0\n3.616351 0.000000 0.000000\n0.000000 9.255772 0.000000\n0.000000 0.000000 11.339367\nPu Tc B\n8 4 24\ndirect\n0.000000 0.335711 0.408316 Pu\n0.000000 0.664289 0.591684 Pu\n0.000000 0.835711 0.091684 Pu\n0.000000 0.164289 0.908316 Pu\n0.000000 0.954014 0.390250 Pu\n0.000000 0.045986 0.609750 Pu\n0.000000 0.454014 0.109750 Pu\n0.000000 0.545986 0.890250 Pu\n0.000000 0.643873 0.320858 Tc\n0.000000 0.356127 0.679142 Tc\n0.000000 0.143873 0.179142 Tc\n0.000000 0.856127 0.820858 Tc\n0.500000 0.550784 0.433487 B\n0.500000 0.449216 0.566513 B\n0.500000 0.050784 0.066513 B\n0.500000 0.949216 0.933487 B\n0.500000 0.743688 0.423896 B\n0.500000 0.256312 0.576104 B\n0.500000 0.243688 0.076104 B\n0.500000 0.756312 0.923896 B\n0.500000 0.802702 0.271153 B\n0.500000 0.197298 0.728847 B\n0.500000 0.302702 0.228847 B\n0.500000 0.697298 0.771153 B\n0.500000 0.643555 0.187648 B\n0.500000 0.356445 0.812352 B\n0.500000 0.143555 0.312352 B\n0.500000 0.856445 0.687648 B\n0.500000 0.985528 0.217084 B\n0.500000 0.014472 0.782916 B\n0.500000 0.485528 0.282916 B\n0.500000 0.514472 0.717084 B\n0.500000 0.642184 0.039506 B\n0.500000 0.357816 0.960494 B\n0.500000 0.142184 0.460494 B\n0.500000 0.857816 0.539506 B\n",
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},
{
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