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{
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"structure_string": "Na30 Pb8\n1.0\n-6.666042 6.666042 6.666042\n6.666042 -6.666042 6.666042\n6.666042 6.666042 -6.666042\nNa Pb\n30 8\ndirect\n0.625000 0.375000 0.250000 Na\n0.250000 0.625000 0.375000 Na\n0.750000 0.875000 0.125000 Na\n0.125000 0.750000 0.875000 Na\n0.375000 0.250000 0.625000 Na\n0.875000 0.125000 0.750000 Na\n0.083748 0.276906 0.116752 Na\n0.693157 0.033003 0.916252 Na\n0.883248 0.466997 0.160154 Na\n0.160154 0.883248 0.466997 Na\n0.339846 0.806843 0.723094 Na\n0.723094 0.339846 0.806843 Na\n0.033003 0.916252 0.693157 Na\n0.223094 0.306843 0.839846 Na\n0.193157 0.416252 0.533003 Na\n0.966997 0.383248 0.660154 Na\n0.306843 0.839846 0.223094 Na\n0.533003 0.193157 0.416252 Na\n0.383248 0.660154 0.966997 Na\n0.116752 0.083748 0.276906 Na\n0.276906 0.116752 0.083748 Na\n0.839846 0.223094 0.306843 Na\n0.416252 0.533003 0.193157 Na\n0.660154 0.966997 0.383248 Na\n0.616752 0.776906 0.583748 Na\n0.583748 0.616752 0.776906 Na\n0.776906 0.583748 0.616752 Na\n0.806843 0.723094 0.339846 Na\n0.916252 0.693157 0.033003 Na\n0.466997 0.160154 0.883248 Na\n0.417424 0.417424 0.417424 Pb\n0.500000 0.000000 0.582576 Pb\n0.582576 0.500000 0.000000 Pb\n0.000000 0.582576 0.500000 Pb\n0.082576 0.500000 0.000000 Pb\n0.000000 0.082576 0.500000 Pb\n0.500000 0.000000 0.082576 Pb\n0.917424 0.917424 0.917424 Pb\n",
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{
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"structure_string": "Ca2 In4 Pt2\n1.0\n2.225876 -5.266163 0.000000\n2.225876 5.266163 0.000000\n0.000000 0.000000 7.958230\nCa In Pt\n2 4 2\ndirect\n0.932765 0.067235 0.750000 Ca\n0.067235 0.932765 0.250000 Ca\n0.643954 0.356046 0.948545 In\n0.643954 0.356046 0.551455 In\n0.356046 0.643954 0.051455 In\n0.356046 0.643954 0.448545 In\n0.217344 0.782656 0.750000 Pt\n0.782656 0.217344 0.250000 Pt\n",
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],
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"volume": 186.56997201045334,
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"formula_full": "Ca2 In4 Pt2",
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},
{
"id": "mp-555784",
"created_at": "2022-09-04T14:39:06.376544Z",
"structure_string": "Na8 U4 Mo8 O40\n1.0\n7.329834 0.000000 0.000000\n0.000000 11.652461 0.000000\n0.000000 0.000000 12.155027\nNa U Mo O\n8 4 8 40\ndirect\n0.585946 0.442246 0.191577 Na\n0.914054 0.557754 0.691577 Na\n0.082020 0.550705 0.428723 Na\n0.414054 0.942246 0.308423 Na\n0.917980 0.050705 0.071277 Na\n0.417980 0.449295 0.928723 Na\n0.085946 0.057754 0.808423 Na\n0.582020 0.949295 0.571277 Na\n0.821086 0.758297 0.231004 U\n0.321086 0.741703 0.768996 U\n0.178914 0.258297 0.268996 U\n0.678914 0.241703 0.731004 U\n0.334243 0.712718 0.099470 Mo\n0.080278 0.831278 0.513249 Mo\n0.834243 0.787282 0.900530 Mo\n0.165757 0.287282 0.599470 Mo\n0.919722 0.331278 0.986751 Mo\n0.419722 0.168722 0.013249 Mo\n0.665757 0.212718 0.400530 Mo\n0.580278 0.668722 0.486751 Mo\n0.307902 0.765825 0.960926 O\n0.366423 0.282740 0.113304 O\n0.902061 0.916361 0.565118 O\n0.102098 0.432837 0.593254 O\n0.602098 0.067163 0.406746 O\n0.855525 0.912406 0.212740 O\n0.005728 0.706663 0.825248 O\n0.879608 0.228045 0.329168 O\n0.723881 0.416030 0.014850 O\n0.897902 0.932837 0.906746 O\n0.218346 0.103595 0.251266 O\n0.494272 0.293337 0.325248 O\n0.223881 0.083970 0.985150 O\n0.781654 0.603595 0.248734 O\n0.512487 0.740691 0.614332 O\n0.144475 0.412406 0.287260 O\n0.718346 0.396405 0.748734 O\n0.597939 0.083639 0.065118 O\n0.097939 0.416361 0.934882 O\n0.379608 0.271955 0.670832 O\n0.397902 0.567163 0.093254 O\n0.633577 0.782740 0.386696 O\n0.276119 0.916030 0.485150 O\n0.505728 0.793337 0.174752 O\n0.012487 0.759309 0.385668 O\n0.133577 0.717260 0.613304 O\n0.620392 0.771955 0.829168 O\n0.402061 0.583639 0.434882 O\n0.120392 0.728045 0.170832 O\n0.776119 0.583970 0.514850 O\n0.355525 0.587594 0.787260 O\n0.866423 0.217260 0.886696 O\n0.192098 0.234175 0.460926 O\n0.994272 0.206663 0.674752 O\n0.807902 0.734175 0.039074 O\n0.692098 0.265825 0.539074 O\n0.644475 0.087594 0.712740 O\n0.987513 0.259309 0.114332 O\n0.281654 0.896405 0.751266 O\n0.487513 0.240691 0.885668 O\n",
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"formula_full": "Na8 U4 Mo8 O40",
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"updated_at": "2021-11-28T01:34:43.635000Z",
"spacegroup": 19
},
{
"id": "mp-541609",
"created_at": "2022-09-04T14:39:06.375861Z",
"structure_string": "Y4 Ge10 Ir6\n1.0\n-3.024214 5.156946 5.896230\n3.024214 -5.156946 5.896230\n3.024214 5.156946 -5.896230\nY Ge Ir\n4 10 6\ndirect\n0.639836 0.365882 0.273954 Y\n0.360164 0.634118 0.726046 Y\n0.908071 0.134118 0.773954 Y\n0.091929 0.865882 0.226046 Y\n0.435744 0.098084 0.337660 Ge\n0.564256 0.901916 0.662340 Ge\n0.239576 0.401916 0.837660 Ge\n0.760424 0.598084 0.162340 Ge\n0.276520 0.526520 0.250000 Ge\n0.723480 0.973480 0.250000 Ge\n0.723480 0.473480 0.750000 Ge\n0.276520 0.026520 0.750000 Ge\n0.000000 0.250000 0.250000 Ge\n0.000000 0.750000 0.750000 Ge\n0.253301 0.142003 0.111298 Ir\n0.746699 0.857997 0.888702 Ir\n0.969294 0.357997 0.611298 Ir\n0.030706 0.642003 0.388702 Ir\n0.500000 0.250000 0.750000 Ir\n0.500000 0.750000 0.250000 Ir\n",
"nsites": 20,
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"elements": [
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"Ge",
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],
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"density": 10.091374875641622,
"density_atomic": 0.054373900089931176,
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"formula_full": "Y4 Ge10 Ir6",
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{
"id": "mp-1186781",
"created_at": "2022-09-04T14:39:06.371814Z",
"structure_string": "Sr2 Sn6\n1.0\n3.575234 -6.192486 0.000000\n3.575234 6.192486 0.000000\n0.000000 0.000000 5.376441\nSr Sn\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.149581 0.299162 0.250000 Sn\n0.700838 0.850419 0.250000 Sn\n0.149581 0.850419 0.250000 Sn\n0.850419 0.700838 0.750000 Sn\n0.299162 0.149581 0.750000 Sn\n0.850419 0.149581 0.750000 Sn\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.190462171477802,
"density_atomic": 0.03360435793034609,
"volume": 238.06436107430213,
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"formula_full": "Sr2 Sn6",
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{
"id": "mp-769457",
"created_at": "2022-09-04T14:39:06.368309Z",
"structure_string": "Li8 Ti8 Cr2 Fe8 O36\n1.0\n2.944630 0.000000 0.000000\n0.000000 9.252806 0.000000\n0.000000 0.000000 25.248742\nLi Ti Cr Fe O\n8 8 2 8 36\ndirect\n0.000000 0.196237 0.989916 Li\n0.000000 0.198743 0.184441 Li\n0.000000 0.301257 0.684441 Li\n0.000000 0.303763 0.489916 Li\n0.000000 0.696237 0.510084 Li\n0.000000 0.698743 0.315559 Li\n0.000000 0.801257 0.815559 Li\n0.000000 0.803763 0.010084 Li\n0.000000 0.998303 0.099555 Ti\n0.500000 0.157576 0.809057 Ti\n0.500000 0.342424 0.309057 Ti\n0.000000 0.501697 0.599555 Ti\n0.000000 0.498303 0.400445 Ti\n0.500000 0.657576 0.690943 Ti\n0.500000 0.842424 0.190943 Ti\n0.000000 0.001697 0.900445 Ti\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.999019 0.307672 Fe\n0.500000 0.150714 0.586511 Fe\n0.500000 0.349286 0.086511 Fe\n0.000000 0.500981 0.807672 Fe\n0.000000 0.499019 0.192328 Fe\n0.500000 0.650714 0.913489 Fe\n0.500000 0.849286 0.413489 Fe\n0.000000 0.000981 0.692328 Fe\n0.000000 0.992625 0.424194 O\n0.000000 0.007375 0.575806 O\n0.500000 0.061381 0.943874 O\n0.500000 0.042328 0.156623 O\n0.500000 0.132797 0.665641 O\n0.000000 0.105660 0.759812 O\n0.500000 0.143535 0.503172 O\n0.500000 0.137691 0.293907 O\n0.000000 0.185558 0.858424 O\n0.000000 0.199115 0.082235 O\n0.000000 0.300885 0.582235 O\n0.000000 0.314442 0.358424 O\n0.500000 0.362309 0.793907 O\n0.500000 0.356465 0.003172 O\n0.000000 0.394340 0.259812 O\n0.500000 0.367203 0.165641 O\n0.500000 0.457672 0.656623 O\n0.500000 0.438619 0.443874 O\n0.000000 0.492625 0.075806 O\n0.000000 0.507375 0.924194 O\n0.500000 0.561381 0.556126 O\n0.500000 0.542328 0.343377 O\n0.500000 0.632797 0.834359 O\n0.000000 0.605660 0.740188 O\n0.500000 0.643535 0.996828 O\n0.500000 0.637691 0.206093 O\n0.000000 0.685558 0.641576 O\n0.000000 0.699115 0.417765 O\n0.000000 0.800885 0.917765 O\n0.000000 0.814442 0.141576 O\n0.500000 0.862309 0.706093 O\n0.500000 0.856465 0.496828 O\n0.000000 0.894340 0.240188 O\n0.500000 0.867203 0.334359 O\n0.500000 0.957672 0.843377 O\n0.500000 0.938619 0.056126 O\n",
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"volume": 687.9295002460592,
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"formula_full": "Li8 Ti8 Cr2 Fe8 O36",
"formula_reduced": "Li4Ti4Cr(Fe2O9)2",
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"spacegroup": 55
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{
"id": "mp-18258",
"created_at": "2022-09-04T14:39:06.364374Z",
"structure_string": "Ba4 Tb8 O16\n1.0\n3.503560 0.000000 0.000000\n0.000000 10.543177 0.000000\n0.000000 0.000000 12.267241\nBa Tb O\n4 8 16\ndirect\n0.750000 0.746863 0.851354 Ba\n0.250000 0.253137 0.148646 Ba\n0.750000 0.246863 0.648646 Ba\n0.250000 0.753137 0.351354 Ba\n0.250000 0.425837 0.388934 Tb\n0.750000 0.574163 0.611066 Tb\n0.250000 0.925837 0.111066 Tb\n0.750000 0.074163 0.888934 Tb\n0.750000 0.077566 0.390464 Tb\n0.250000 0.922434 0.609536 Tb\n0.750000 0.577566 0.109536 Tb\n0.250000 0.422434 0.890464 Tb\n0.250000 0.429497 0.574267 O\n0.750000 0.570503 0.425733 O\n0.250000 0.929497 0.925733 O\n0.750000 0.070503 0.074267 O\n0.250000 0.518803 0.217231 O\n0.750000 0.481197 0.782769 O\n0.250000 0.018803 0.282769 O\n0.750000 0.981197 0.717231 O\n0.250000 0.115865 0.518481 O\n0.750000 0.884135 0.481519 O\n0.250000 0.615865 0.981519 O\n0.750000 0.384135 0.018481 O\n0.750000 0.290508 0.339860 O\n0.250000 0.709492 0.660140 O\n0.750000 0.790508 0.160140 O\n0.250000 0.209492 0.839860 O\n",
"nsites": 28,
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"elements": [
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"formula_full": "Ba4 Tb8 O16",
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{
"id": "mp-1313101",
"created_at": "2022-09-04T14:39:06.364117Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n2.872819 0.169150 -0.092756\n-1.149094 19.091970 -0.968551\n0.170840 -0.128732 5.078666\nLi Mn Co O\n10 4 2 16\ndirect\n0.000101 0.124226 0.376119 Li\n0.999895 0.625774 0.873872 Li\n0.999997 0.375001 0.125001 Li\n0.000000 0.875000 0.624993 Li\n0.500571 0.122563 0.875863 Li\n0.499432 0.627434 0.374125 Li\n0.502348 0.243313 0.245897 Li\n0.501871 0.747295 0.741755 Li\n0.498133 0.002705 0.508238 Li\n0.497648 0.506688 0.004113 Li\n0.997315 0.504417 0.477518 Mn\n0.002685 0.245577 0.772494 Mn\n0.998942 0.001321 0.995515 Mn\n0.001127 0.748694 0.254461 Mn\n0.500004 0.874998 0.124989 Co\n0.500001 0.375000 0.624997 Co\n0.498970 0.053156 0.172044 O\n0.496936 0.554890 0.661904 O\n0.503036 0.195111 0.588114 O\n0.501046 0.696847 0.077951 O\n0.002456 0.190711 0.048471 O\n0.001270 0.696287 0.538951 O\n0.998698 0.053713 0.711057 O\n0.997540 0.559286 0.201540 O\n0.502322 0.305613 0.930830 O\n0.500593 0.811280 0.404378 O\n0.497640 0.444387 0.319188 O\n0.499416 0.938720 0.845624 O\n0.997728 0.433379 0.770032 O\n0.999662 0.932094 0.281664 O\n0.002277 0.316620 0.479975 O\n0.000341 0.817901 0.968331 O\n",
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"volume": 279.4432991021836,
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"formula_full": "Li10 Mn4 Co2 O16",
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{
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{
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}