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"results": [
{
"id": "jvasp-112908",
"created_at": "2022-09-04T14:38:45.474383Z",
"updated_at": "2022-09-04T14:38:45.474419Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n4.875449 0.021432 0.928994\n4.046718 2.719290 0.928994\n-0.161598 -0.049640 9.873243\nLi Mn Co O\n5 1 2 8\ndirect\n0.762397 0.762395 0.859642 Li\n0.246525 0.246525 0.630730 Li\n0.749135 0.749134 0.379805 Li\n0.249567 0.249567 0.129134 Li\n0.497041 0.497040 0.742213 Li\n0.004581 0.004581 0.988276 Mn\n-0.002288 -0.002288 0.506005 Co\n0.499065 0.499063 0.252057 Co\n0.120772 0.120772 0.830395 O\n0.611017 0.611016 0.554170 O\n0.107708 0.107708 0.315413 O\n0.606389 0.606387 0.068753 O\n0.385494 0.385493 0.949161 O\n0.879316 0.879314 0.673955 O\n0.391292 0.391291 0.433938 O\n0.891997 0.891995 0.186343 O\n",
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{
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"structure_string": "Li6 Co4 O10\n1.0\n2.827960 -0.044710 0.015091\n-1.337120 4.663075 -0.953561\n-0.067216 -0.057807 12.371083\nLi Co O\n6 4 10\ndirect\n0.399925 0.299650 0.296638 Li\n-0.000001 0.500000 0.500000 Li\n0.600074 0.700350 0.703362 Li\n0.195457 0.891157 0.909160 Li\n0.804542 0.108843 0.090840 Li\n0.500000 0.500000 0.000000 Li\n0.699994 0.899980 0.399911 Co\n0.300005 0.100021 0.600089 Co\n0.101091 0.702268 0.195119 Co\n0.898908 0.297732 0.804881 Co\n0.847229 0.194506 0.937117 O\n0.736147 0.972117 0.254332 O\n0.335699 0.171135 0.451717 O\n0.933464 0.366711 0.650957 O\n0.531240 0.562157 0.842465 O\n0.152770 0.805495 0.062883 O\n0.066535 0.633290 0.349042 O\n0.664300 0.828865 0.548282 O\n0.263852 0.027884 0.745668 O\n0.468759 0.437844 0.157534 O\n",
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"spacegroup": 12
},
{
"id": "jvasp-112905",
"created_at": "2022-09-04T14:38:43.055021Z",
"updated_at": "2022-09-04T14:38:43.055048Z",
"structure_string": "Li6 Mn4 O10\n1.0\n4.712348 -0.000047 1.742933\n-0.058998 7.100673 2.455278\n-0.118253 0.000020 4.910606\nLi Mn O\n6 4 10\ndirect\n0.500000 0.800001 0.099999 Li\n0.000000 0.800001 0.600000 Li\n0.500010 0.196444 0.901784 Li\n0.499991 0.403554 0.298217 Li\n0.499996 0.610696 0.694642 Li\n0.500005 0.989302 0.505360 Li\n0.000006 0.993053 0.003466 Mn\n0.000004 0.197214 0.401382 Mn\n-0.000008 0.606948 0.196536 Mn\n-0.000005 0.402785 0.798620 Mn\n0.773768 0.587527 0.956580 O\n0.234327 0.799996 0.873142 O\n0.765674 0.800002 0.326859 O\n0.224615 0.198626 0.658499 O\n0.224618 0.401375 0.057126 O\n0.775381 0.198624 0.142874 O\n0.775387 0.401374 0.541501 O\n0.226224 0.587527 0.455905 O\n0.226234 0.012472 0.243421 O\n0.773776 0.012472 0.744096 O\n",
"nsites": 20,
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],
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"volume": 165.7762779009176,
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"formula_full": "Li6 Mn4 O10",
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"spacegroup": 12
},
{
"id": "jvasp-112904",
"created_at": "2022-09-04T14:38:44.577805Z",
"updated_at": "2022-09-04T14:38:44.577835Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.658455 0.000171 -1.621070\n-0.000225 5.808450 0.000013\n0.037539 -0.000016 5.090560\nLi Mn Co O\n4 2 2 8\ndirect\n0.500004 0.004591 0.500003 Li\n-0.000004 0.245415 0.499998 Li\n0.500001 0.498299 0.500003 Li\n0.000002 0.751697 0.499998 Li\n-0.000001 0.498107 -0.000001 Mn\n0.500001 0.751890 0.000002 Mn\n0.499994 0.233852 -0.000000 Co\n0.000006 0.016148 -0.000000 Co\n0.735980 0.979677 0.242585 O\n0.235979 0.270322 0.242588 O\n0.264025 0.979675 0.757412 O\n0.764022 0.270320 0.757418 O\n0.750149 0.512225 0.221148 O\n0.250158 0.737776 0.221150 O\n0.249853 0.512226 0.778851 O\n0.749848 0.737776 0.778851 O\n",
"nsites": 16,
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"elements": [
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],
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"formula_full": "Li4 Mn2 Co2 O8",
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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-112901",
"created_at": "2022-09-04T14:38:45.363470Z",
"updated_at": "2022-09-04T14:38:45.363500Z",
"structure_string": "Rb4 Ge4 Cl12\n1.0\n7.166605 -0.000000 0.000000\n0.000000 7.766774 0.000000\n-0.000000 -0.000000 10.670260\nRb Ge Cl\n4 4 12\ndirect\n0.971087 0.422123 0.750917 Rb\n0.471087 0.077877 0.250917 Rb\n0.528914 0.922123 0.750917 Rb\n0.028914 0.577876 0.250917 Rb\n0.486984 0.476025 0.515699 Ge\n0.513017 0.523974 0.015699 Ge\n0.013016 0.976025 0.515699 Ge\n0.986984 0.023974 0.015699 Ge\n0.574446 0.499256 0.239752 Cl\n0.925555 -0.000744 0.239752 Cl\n0.700971 0.181239 0.968036 Cl\n0.425555 0.500743 0.739752 Cl\n0.799030 0.681238 0.968036 Cl\n0.172109 0.287781 0.040794 Cl\n0.299029 0.818761 0.468036 Cl\n0.827892 0.712218 0.540794 Cl\n0.074445 0.000744 0.739752 Cl\n0.327892 0.787781 0.040794 Cl\n0.200971 0.318761 0.468036 Cl\n0.672109 0.212219 0.540794 Cl\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Cl-Ge-Rb",
"density": 2.9576794980702656,
"density_atomic": 0.03367447684643324,
"volume": 593.9216247131802,
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"formula_full": "Rb4 Ge4 Cl12",
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"spacegroup": 33
},
{
"id": "jvasp-112900",
"created_at": "2022-09-04T14:38:43.035411Z",
"updated_at": "2022-09-04T14:38:43.035434Z",
"structure_string": "Mn4 Pb4 O12\n1.0\n5.641931 -0.000000 0.000000\n0.000000 4.918855 0.498944\n-0.000000 0.214863 10.156570\nMn Pb O\n4 4 12\ndirect\n0.874561 0.250000 -0.000000 Mn\n0.125439 0.749999 -0.000000 Mn\n0.375421 0.250000 -0.000000 Mn\n0.624579 0.749999 -0.000000 Mn\n0.224798 0.531737 0.365740 Pb\n0.224798 0.968261 0.634259 Pb\n0.775201 0.468261 0.634260 Pb\n0.775201 0.031738 0.365740 Pb\n0.193777 0.027008 0.404009 O\n0.193777 0.472991 0.595991 O\n0.875781 0.893224 0.099058 O\n0.875781 0.606774 0.900942 O\n0.124219 0.106774 0.900942 O\n0.375477 0.892371 0.098525 O\n0.624523 0.107627 0.901475 O\n0.624523 0.392372 0.098525 O\n0.806223 0.527008 0.404009 O\n0.375477 0.607627 0.901474 O\n0.124219 0.393225 0.099058 O\n0.806223 0.972990 0.595991 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Mn-O-Pb",
"density": 7.324124105416425,
"density_atomic": 0.0711089191167727,
"volume": 281.25866977610315,
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"formula_full": "Mn4 Pb4 O12",
"formula_reduced": "MnPbO3",
"formula_anonymous": "ABC3",
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"spacegroup": 13
},
{
"id": "jvasp-11290",
"created_at": "2022-09-04T14:37:30.436393Z",
"updated_at": "2022-09-04T14:37:30.436436Z",
"structure_string": "Ca2 V2 Bi2 O12\n1.0\n0.000000 7.019511 0.150986\n5.339649 0.000000 0.000000\n0.000000 -1.691530 -7.313419\nCa V Bi O\n2 2 2 12\ndirect\n0.742536 0.746302 0.945072 Ca\n0.257464 0.246302 0.054927 Ca\n0.216835 0.709288 0.782484 V\n0.783164 0.209288 0.217516 V\n0.395593 0.236156 0.567492 Bi\n0.604407 0.736156 0.432508 Bi\n0.768512 0.544159 0.245256 O\n0.956256 0.137079 0.103736 O\n0.655687 0.471477 0.657741 O\n0.601353 0.951318 0.680613 O\n0.043744 0.637079 0.896263 O\n0.179841 0.525828 0.579969 O\n0.820159 0.025828 0.420031 O\n0.578297 0.084860 0.077756 O\n0.231488 0.044159 0.754743 O\n0.344312 0.971477 0.342258 O\n0.398647 0.451318 0.319387 O\n0.421703 0.584860 0.922244 O\n",
"nsites": 18,
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],
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"density_atomic": 0.06599309064303943,
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"formula_full": "Ca2 V2 Bi2 O12",
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"spacegroup": 4
},
{
"id": "jvasp-112899",
"created_at": "2022-09-04T14:38:44.318584Z",
"updated_at": "2022-09-04T14:38:44.318602Z",
"structure_string": "Er4 Si8 Mo6\n1.0\n6.905470 -0.000000 0.000000\n-0.000000 6.364881 2.190405\n0.000000 0.004895 6.848115\nEr Si Mo\n4 8 6\ndirect\n0.670163 0.439185 0.190644 Er\n0.170164 0.060816 0.809356 Er\n0.329836 0.560816 0.809356 Er\n0.829836 0.939185 0.190643 Er\n0.632157 0.628988 0.503846 Si\n0.132157 0.871013 0.496154 Si\n0.367843 0.371013 0.496154 Si\n0.867843 0.128988 0.503846 Si\n0.544096 0.865737 0.910605 Si\n0.955904 0.365737 0.910606 Si\n0.455904 0.134264 0.089394 Si\n0.044096 0.634264 0.089394 Si\n0.837249 0.748824 0.751526 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.162751 0.251176 0.248473 Mo\n0.662751 0.248824 0.751527 Mo\n0.337249 0.751176 0.248473 Mo\n",
"nsites": 18,
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],
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},
{
"id": "jvasp-112896",
"created_at": "2022-09-04T14:38:44.302475Z",
"updated_at": "2022-09-04T14:38:44.302500Z",
"structure_string": "Cr1 Ga7 P8\n1.0\n5.497168 0.000000 0.000000\n0.000000 5.497168 0.000000\n0.000000 0.000000 10.952039\nCr Ga P\n1 7 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 -0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.751498 Ga\n-0.000000 0.500000 0.248502 Ga\n0.500000 0.000000 0.248502 Ga\n-0.000000 0.500000 0.751498 Ga\n0.754022 0.245978 0.877959 P\n0.245978 0.754022 0.877959 P\n0.754022 0.754022 0.122042 P\n0.245978 0.245978 0.122042 P\n0.749771 0.250229 0.374468 P\n0.250229 0.749771 0.374468 P\n0.749771 0.749771 0.625532 P\n0.250229 0.250229 0.625532 P\n",
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"spacegroup": 111
},
{
"id": "jvasp-112894",
"created_at": "2022-09-04T14:38:44.294835Z",
"updated_at": "2022-09-04T14:38:44.294869Z",
"structure_string": "Li4 Ce4 Si8\n1.0\n3.862310 0.000000 0.000000\n0.000000 7.719610 0.000000\n-0.000000 0.000000 10.501925\nLi Ce Si\n4 4 8\ndirect\n0.250000 0.993527 0.392872 Li\n0.250000 0.493527 0.107128 Li\n0.750000 0.006473 0.607129 Li\n0.750000 0.506473 0.892872 Li\n0.250000 0.136656 0.865456 Ce\n0.250000 0.636656 0.634545 Ce\n0.750000 0.863344 0.134545 Ce\n0.750000 0.363344 0.365455 Ce\n0.250000 0.231441 0.570701 Si\n0.250000 0.731441 0.929300 Si\n0.750000 0.768559 0.429299 Si\n0.750000 0.268559 0.070701 Si\n0.250000 0.663275 0.317300 Si\n0.250000 0.163275 0.182701 Si\n0.750000 0.336725 0.682701 Si\n0.750000 0.836725 0.817300 Si\n",
"nsites": 16,
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],
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"volume": 313.12042732983076,
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"formula_full": "Li4 Ce4 Si8",
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},
{
"id": "jvasp-112893",
"created_at": "2022-09-04T14:38:45.014474Z",
"updated_at": "2022-09-04T14:38:45.014501Z",
"structure_string": "Ca1 Ti4 Pd3 O12\n1.0\n6.156472 -0.000000 -2.176641\n-3.078236 5.331661 -2.176641\n-0.000000 -0.000000 6.529924\nCa Ti Pd O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n-0.000000 0.500000 -0.000000 Ti\n0.499999 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.499999 0.500000 0.000000 Pd\n0.884172 0.705624 0.178548 O\n0.527075 0.705624 0.821451 O\n0.178548 0.472924 0.294376 O\n0.821451 0.115827 0.294376 O\n0.178547 0.884173 0.705624 O\n0.705624 0.178548 0.884173 O\n0.294376 0.178548 0.472924 O\n0.294375 0.821452 0.115827 O\n0.115826 0.294376 0.821451 O\n0.705623 0.821452 0.527076 O\n0.821451 0.527076 0.705624 O\n0.472924 0.294376 0.178548 O\n",
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"volume": 214.33967279890166,
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"formula_full": "Ca1 Ti4 Pd3 O12",
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{
"id": "jvasp-112891",
"created_at": "2022-09-04T14:38:45.292981Z",
"updated_at": "2022-09-04T14:38:45.293007Z",
"structure_string": "Sc12 As8\n1.0\n10.348992 -0.000000 0.000000\n0.000000 10.348992 0.000000\n0.000000 0.000000 3.858916\nSc As\n12 8\ndirect\n0.137028 0.809820 0.500001 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500001 Sc\n-0.000000 0.500000 0.500001 Sc\n0.718188 0.604717 -0.000000 Sc\n0.281812 0.395283 -0.000000 Sc\n0.500000 0.000000 0.500001 Sc\n0.395283 0.718188 -0.000000 Sc\n0.809820 0.862972 0.500001 Sc\n0.190180 0.137028 0.500001 Sc\n0.862972 0.190180 0.500001 Sc\n0.604717 0.281812 -0.000000 Sc\n0.046885 0.277806 -0.000000 As\n0.253047 0.581771 0.500001 As\n0.746953 0.418228 0.500001 As\n0.418228 0.253047 0.500001 As\n0.581771 0.746953 0.500001 As\n0.277806 0.953115 -0.000000 As\n0.722194 0.046885 -0.000000 As\n0.953115 0.722194 -0.000000 As\n",
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}
]
}