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{
"id": "mp-1218301",
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"structure_string": "Sr4 Li4 Ti16 Cr4 O44\n1.0\n5.834198 0.000000 0.000000\n0.000000 9.991701 0.000000\n0.000000 0.000000 13.961280\nSr Li Ti Cr O\n4 4 16 4 44\ndirect\n0.748730 0.603819 0.595332 Sr\n0.748730 0.896181 0.095332 Sr\n0.248730 0.396181 0.404668 Sr\n0.248730 0.103819 0.904668 Sr\n0.750287 0.921120 0.540127 Li\n0.750287 0.578880 0.040127 Li\n0.250287 0.078880 0.459873 Li\n0.250287 0.421120 0.959873 Li\n0.745150 0.273993 0.502748 Ti\n0.745150 0.226007 0.002748 Ti\n0.245150 0.726007 0.497252 Ti\n0.245150 0.773993 0.997252 Ti\n0.742289 0.930703 0.831928 Ti\n0.742289 0.569297 0.331928 Ti\n0.242289 0.069297 0.168072 Ti\n0.242289 0.430703 0.668072 Ti\n0.755429 0.388140 0.834089 Ti\n0.755429 0.111860 0.334089 Ti\n0.255429 0.611860 0.165911 Ti\n0.255429 0.888140 0.665911 Ti\n0.998586 0.340195 0.172104 Ti\n0.498586 0.659805 0.827896 Ti\n0.498586 0.840195 0.327896 Ti\n0.998586 0.159805 0.672104 Ti\n0.501123 0.164905 0.671146 Cr\n0.001123 0.835095 0.328854 Cr\n0.001123 0.664905 0.828854 Cr\n0.501123 0.335095 0.171146 Cr\n0.744056 0.755560 0.761167 O\n0.744056 0.744440 0.261167 O\n0.244056 0.244440 0.238833 O\n0.244056 0.255560 0.738833 O\n0.750252 0.059841 0.934566 O\n0.750252 0.440159 0.434566 O\n0.250252 0.940159 0.065434 O\n0.250252 0.559841 0.565434 O\n0.746360 0.569348 0.897051 O\n0.746360 0.930652 0.397051 O\n0.246360 0.430652 0.102949 O\n0.246360 0.069348 0.602949 O\n0.529820 0.315573 0.913871 O\n0.973811 0.184028 0.414259 O\n0.029820 0.684427 0.086129 O\n0.473811 0.815972 0.585741 O\n0.473811 0.684028 0.085741 O\n0.029820 0.815573 0.586129 O\n0.973811 0.315972 0.914259 O\n0.529820 0.184427 0.413871 O\n0.755183 0.246198 0.744902 O\n0.755183 0.253802 0.244902 O\n0.255183 0.753802 0.255098 O\n0.255183 0.746198 0.755098 O\n0.507482 0.825849 0.914670 O\n0.997900 0.672193 0.415374 O\n0.007482 0.174151 0.085330 O\n0.497900 0.327807 0.584626 O\n0.497900 0.172193 0.084626 O\n0.007482 0.325849 0.585330 O\n0.997900 0.827807 0.915374 O\n0.507482 0.674151 0.414670 O\n0.756422 0.104843 0.586497 O\n0.756422 0.395157 0.086497 O\n0.256422 0.895157 0.413503 O\n0.256422 0.604843 0.913503 O\n0.497932 0.502572 0.743166 O\n0.999191 0.999712 0.242381 O\n0.997932 0.497428 0.256834 O\n0.499191 0.000288 0.757619 O\n0.499191 0.499712 0.257619 O\n0.997932 0.002572 0.756834 O\n0.999191 0.500288 0.742381 O\n0.497932 0.997428 0.243166 O\n",
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"volume": 813.8527411508884,
"volume_molar": 6.807133007114574,
"formula_full": "Sr4 Li4 Ti16 Cr4 O44",
"formula_reduced": "SrLiTi4CrO11",
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},
{
"id": "mp-1173163",
"created_at": "2022-09-04T14:41:16.877247Z",
"structure_string": "Sr4 Li4 Ti16 Cr4 O44\n1.0\n5.861146 0.000000 0.000000\n0.000000 10.004682 0.000000\n0.000000 0.000000 13.980798\nSr Li Ti Cr O\n4 4 16 4 44\ndirect\n0.250000 0.104976 0.091683 Sr\n0.250000 0.395024 0.591683 Sr\n0.750000 0.604976 0.408317 Sr\n0.750000 0.895024 0.908317 Sr\n0.250000 0.079746 0.544604 Li\n0.250000 0.420254 0.044604 Li\n0.750000 0.920254 0.455396 Li\n0.750000 0.579746 0.955396 Li\n0.999615 0.668972 0.171056 Ti\n0.999615 0.831028 0.671056 Ti\n0.250000 0.060174 0.834860 Ti\n0.250000 0.610368 0.837207 Ti\n0.250000 0.889632 0.337207 Ti\n0.250000 0.439826 0.334860 Ti\n0.500385 0.668972 0.171056 Ti\n0.500385 0.831028 0.671056 Ti\n0.499615 0.168972 0.328944 Ti\n0.499615 0.331028 0.828944 Ti\n0.750000 0.110368 0.662793 Ti\n0.750000 0.389632 0.162793 Ti\n0.750000 0.560174 0.665140 Ti\n0.750000 0.939826 0.165140 Ti\n0.000385 0.168972 0.328944 Ti\n0.000385 0.331028 0.828944 Ti\n0.250000 0.768045 0.002419 Cr\n0.250000 0.731955 0.502419 Cr\n0.750000 0.231955 0.997581 Cr\n0.750000 0.268045 0.497581 Cr\n0.998457 0.493435 0.744240 O\n0.998457 0.006565 0.244240 O\n0.009629 0.325642 0.411069 O\n0.009629 0.174358 0.911069 O\n0.024764 0.817270 0.412411 O\n0.024764 0.682730 0.912411 O\n0.250000 0.746792 0.244518 O\n0.250000 0.245876 0.760585 O\n0.250000 0.254124 0.260585 O\n0.250000 0.605531 0.088387 O\n0.250000 0.753208 0.744518 O\n0.250000 0.894469 0.588387 O\n0.250000 0.940745 0.932604 O\n0.250000 0.427169 0.897366 O\n0.250000 0.559255 0.432604 O\n0.250000 0.072831 0.397366 O\n0.475236 0.817270 0.412411 O\n0.475236 0.682730 0.912411 O\n0.490371 0.325642 0.411069 O\n0.490371 0.174358 0.911069 O\n0.501543 0.006565 0.244240 O\n0.501543 0.493435 0.744240 O\n0.498457 0.506565 0.255760 O\n0.498457 0.993435 0.755760 O\n0.509629 0.825642 0.088931 O\n0.509629 0.674358 0.588931 O\n0.524764 0.317270 0.087589 O\n0.524764 0.182730 0.587589 O\n0.750000 0.572831 0.102634 O\n0.750000 0.754124 0.239415 O\n0.750000 0.059255 0.067396 O\n0.750000 0.105531 0.411613 O\n0.750000 0.246792 0.255482 O\n0.750000 0.253208 0.755482 O\n0.750000 0.394469 0.911613 O\n0.750000 0.440745 0.567396 O\n0.750000 0.745876 0.739415 O\n0.750000 0.927169 0.602634 O\n0.975236 0.182730 0.587589 O\n0.975236 0.317270 0.087589 O\n0.990371 0.674358 0.588931 O\n0.990371 0.825642 0.088931 O\n0.001543 0.993435 0.755760 O\n0.001543 0.506565 0.255760 O\n",
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"formula_full": "Sr4 Li4 Ti16 Cr4 O44",
"formula_reduced": "SrLiTi4CrO11",
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"spacegroup": 62
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{
"id": "mp-1208599",
"created_at": "2022-09-04T14:42:43.283402Z",
"structure_string": "Sr2 Li2 Ti2 F12\n1.0\n2.665048 -4.615998 0.000000\n2.665048 4.615998 0.000000\n0.000000 0.000000 10.533662\nSr Li Ti F\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.666667 0.333333 0.750000 Ti\n0.333333 0.666667 0.250000 Ti\n0.642797 0.012394 0.643739 F\n0.357203 0.987606 0.356261 F\n0.987606 0.630403 0.643739 F\n0.642797 0.630403 0.856261 F\n0.012394 0.369597 0.356261 F\n0.357203 0.369597 0.143739 F\n0.369597 0.357203 0.643739 F\n0.987606 0.357203 0.856261 F\n0.630403 0.642797 0.356261 F\n0.012394 0.642797 0.143739 F\n0.369597 0.012394 0.856261 F\n0.630403 0.987606 0.143739 F\n",
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"formula_full": "Sr2 Li2 Ti2 F12",
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{
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"structure_string": "Sr1 Li1 Tl2\n1.0\n-6.168236 6.889960 9.761463\n6.168236 -6.889960 9.761463\n6.168236 6.889960 -9.761463\nSr Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.222286 0.222286 Tl\n0.000000 0.777714 0.777714 Tl\n",
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{
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{
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{
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"created_at": "2022-09-04T14:44:15.040056Z",
"structure_string": "Sr2 Li2 V2 F12\n1.0\n2.664994 -4.615905 0.000000\n2.664994 4.615905 0.000000\n0.000000 0.000000 10.499196\nSr Li V F\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.666667 0.333333 0.750000 V\n0.333333 0.666667 0.250000 V\n0.644796 0.014598 0.644642 F\n0.355204 0.985402 0.355358 F\n0.985402 0.630198 0.644642 F\n0.644796 0.630198 0.855358 F\n0.014598 0.369802 0.355358 F\n0.355204 0.369802 0.144642 F\n0.369802 0.355204 0.644642 F\n0.985402 0.355204 0.855358 F\n0.630198 0.644796 0.355358 F\n0.014598 0.644796 0.144642 F\n0.369802 0.014598 0.855358 F\n0.630198 0.985402 0.144642 F\n",
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{
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"structure_string": "Sr4 Li4 V4 P4 O24\n1.0\n10.840092 0.000000 0.000000\n0.000000 5.420754 0.000000\n0.000000 0.034789 8.367123\nSr Li V P O\n4 4 4 4 24\ndirect\n0.272338 0.319047 0.112958 Sr\n0.227662 0.319047 0.612958 Sr\n0.772338 0.680953 0.387042 Sr\n0.727662 0.680953 0.887042 Sr\n0.983281 0.313632 0.373694 Li\n0.516719 0.313632 0.873694 Li\n0.483281 0.686368 0.126306 Li\n0.016719 0.686368 0.626306 Li\n0.910172 0.140053 0.081844 V\n0.589828 0.140053 0.581844 V\n0.410172 0.859947 0.418156 V\n0.089828 0.859947 0.918156 V\n0.608933 0.175733 0.198093 P\n0.891067 0.175733 0.698093 P\n0.108933 0.824267 0.301907 P\n0.391067 0.824267 0.801907 P\n0.873673 0.394343 0.198023 O\n0.626327 0.394343 0.698023 O\n0.596520 0.396694 0.080521 O\n0.903480 0.396694 0.580521 O\n0.645008 0.278309 0.364948 O\n0.854992 0.278309 0.864948 O\n0.077431 0.172955 0.020972 O\n0.422569 0.172955 0.520972 O\n0.480730 0.037977 0.201133 O\n0.019270 0.037977 0.701133 O\n0.209106 0.012569 0.360559 O\n0.709106 0.987431 0.139441 O\n0.290894 0.012569 0.860559 O\n0.790894 0.987431 0.639441 O\n0.980730 0.962023 0.298867 O\n0.519270 0.962023 0.798867 O\n0.577431 0.827045 0.479028 O\n0.922569 0.827045 0.979028 O\n0.145008 0.721691 0.135052 O\n0.354992 0.721691 0.635052 O\n0.096520 0.603306 0.419479 O\n0.403480 0.603306 0.919479 O\n0.373673 0.605657 0.301977 O\n0.126327 0.605657 0.801977 O\n",
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"formula_full": "Sr4 Li4 V4 P4 O24",
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{
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{
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{
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"structure_string": "Sr2 Lu4 O8\n1.0\n0.000000 4.818341 4.818341\n4.818341 0.000000 4.818341\n4.818341 4.818341 0.000000\nSr Lu O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sr\n0.125000 0.125000 0.625000 Lu\n0.125000 0.625000 0.125000 Lu\n0.125000 0.125000 0.125000 Lu\n0.625000 0.125000 0.125000 Lu\n0.320130 0.893290 0.893290 O\n0.356710 0.929870 0.356710 O\n0.356710 0.356710 0.356710 O\n0.893290 0.893290 0.320130 O\n0.356710 0.356710 0.929870 O\n0.893290 0.893290 0.893290 O\n0.893290 0.320130 0.893290 O\n0.929870 0.356710 0.356710 O\n",
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}