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{
"id": "mp-1208443",
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{
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"structure_string": "Li8 Ti4 Fe10 O24\n1.0\n9.213966 0.000000 0.000000\n0.000000 5.112230 0.000000\n0.000000 1.979669 9.770975\nLi Ti Fe O\n8 4 10 24\ndirect\n0.921332 0.003924 0.746056 Li\n0.919997 0.493129 0.258476 Li\n0.580933 0.756157 0.500392 Li\n0.586207 0.502219 0.254529 Li\n0.421332 0.996076 0.253944 Li\n0.419997 0.506871 0.741524 Li\n0.080933 0.243843 0.499608 Li\n0.086207 0.497781 0.745471 Li\n0.745534 0.241078 0.513124 Ti\n0.749106 0.757903 0.987312 Ti\n0.249106 0.242097 0.012688 Ti\n0.245534 0.758922 0.486876 Ti\n0.921996 0.249746 0.007563 Fe\n0.922139 0.751972 0.494638 Fe\n0.752253 0.996741 0.250506 Fe\n0.577152 0.233339 0.996050 Fe\n0.741389 0.503579 0.747435 Fe\n0.422139 0.248028 0.505362 Fe\n0.421996 0.750254 0.992437 Fe\n0.252253 0.003259 0.749494 Fe\n0.241389 0.496421 0.252565 Fe\n0.077152 0.766661 0.003950 Fe\n0.890960 0.123319 0.380908 O\n0.895631 0.848571 0.121091 O\n0.766194 0.883741 0.615172 O\n0.901511 0.640038 0.882216 O\n0.761324 0.118901 0.884528 O\n0.902688 0.377993 0.613425 O\n0.592390 0.136417 0.385490 O\n0.760596 0.627721 0.381846 O\n0.743046 0.363441 0.123039 O\n0.600998 0.860476 0.129048 O\n0.592236 0.631599 0.887774 O\n0.588975 0.375100 0.608115 O\n0.395631 0.151429 0.878909 O\n0.390960 0.876681 0.619092 O\n0.266194 0.116259 0.384828 O\n0.402688 0.622007 0.386575 O\n0.261324 0.881099 0.115472 O\n0.401511 0.359962 0.117784 O\n0.100998 0.139524 0.870952 O\n0.260596 0.372279 0.618154 O\n0.243046 0.636559 0.876961 O\n0.092390 0.863583 0.614510 O\n0.088975 0.624900 0.391885 O\n0.092236 0.368401 0.112226 O\n",
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"formula_full": "Li8 Ti4 Fe10 O24",
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{
"id": "mp-758720",
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"structure_string": "Li5 Cu1 F6\n1.0\n4.440672 2.583067 0.000000\n-4.440672 2.583067 0.000000\n0.000000 1.796043 4.822901\nLi Cu F\n5 1 6\ndirect\n0.834293 0.165707 0.500000 Li\n0.667158 0.332842 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.332842 0.667158 0.000000 Li\n0.165707 0.834293 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.914480 0.560175 0.254482 F\n0.439825 0.085520 0.745518 F\n0.733806 0.733806 0.729524 F\n0.266194 0.266194 0.270476 F\n0.560175 0.914480 0.254482 F\n0.085520 0.439825 0.745518 F\n",
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{
"id": "mp-1099674",
"created_at": "2022-09-04T14:46:28.986996Z",
"structure_string": "Sr4 Ca4 Mn6 Fe2 O24\n1.0\n7.685071 0.000000 0.000000\n0.000000 7.735958 0.000000\n0.000000 0.001240 7.737730\nSr Ca Mn Fe O\n4 4 6 2 24\ndirect\n0.500000 0.749584 0.250363 Sr\n0.000000 0.749692 0.250341 Sr\n0.000000 0.250340 0.250358 Sr\n0.500000 0.250332 0.749659 Sr\n0.500000 0.749540 0.749535 Ca\n0.000000 0.749436 0.749515 Ca\n0.500000 0.250521 0.250493 Ca\n0.000000 0.250551 0.749545 Ca\n0.250024 0.000029 0.500897 Mn\n0.749976 0.000029 0.500897 Mn\n0.250034 0.499949 0.998890 Mn\n0.749966 0.499949 0.998890 Mn\n0.250041 0.499949 0.501001 Mn\n0.749959 0.499949 0.501001 Mn\n0.250027 0.000033 0.998760 Fe\n0.749973 0.000033 0.998760 Fe\n0.250021 0.746276 0.995205 O\n0.749979 0.746276 0.995205 O\n0.250012 0.749388 0.505271 O\n0.749988 0.749388 0.505271 O\n0.249963 0.253744 0.999284 O\n0.750037 0.253744 0.999284 O\n0.249976 0.250618 0.500467 O\n0.750024 0.250618 0.500467 O\n0.252010 0.002088 0.253810 O\n0.747990 0.002088 0.253810 O\n0.248073 0.997987 0.746240 O\n0.751927 0.997987 0.746240 O\n0.252444 0.497563 0.250629 O\n0.747556 0.497563 0.250629 O\n0.247589 0.502376 0.749380 O\n0.752411 0.502376 0.749380 O\n0.500000 0.999963 0.999256 O\n0.000000 0.000020 0.995516 O\n0.500000 0.999973 0.500673 O\n0.000000 0.000030 0.504961 O\n0.500000 0.500023 0.999642 O\n0.000000 0.499981 0.994897 O\n0.500000 0.500018 0.500356 O\n0.000000 0.499976 0.505198 O\n",
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"formula_full": "Sr4 Ca4 Mn6 Fe2 O24",
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"spacegroup": 6
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{
"id": "mp-1238789",
"created_at": "2022-09-04T14:46:28.993186Z",
"structure_string": "Cs2 Pb4 I10\n1.0\n-4.599408 4.599408 8.416712\n4.599408 -4.599408 8.416712\n4.599408 4.599408 -8.416712\nCs Pb I\n2 4 10\ndirect\n0.250000 0.250000 0.000000 Cs\n0.750000 0.750000 0.000000 Cs\n0.833360 0.333360 0.166720 Pb\n0.666640 0.833360 0.500000 Pb\n0.333360 0.166640 0.500000 Pb\n0.166640 0.666640 0.833280 Pb\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.000000 I\n0.972925 0.781148 0.500000 I\n0.781148 0.281148 0.808223 I\n0.472925 0.972925 0.191777 I\n0.281148 0.472925 0.500000 I\n0.718852 0.527075 0.500000 I\n0.527075 0.027075 0.808223 I\n0.218852 0.718852 0.191777 I\n0.027075 0.218852 0.500000 I\n",
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"formula_full": "Cs2 Pb4 I10",
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{
"id": "mp-849416",
"created_at": "2022-09-04T14:46:28.997951Z",
"structure_string": "Li4 Fe2 Cu3 O10\n1.0\n5.021022 0.000000 0.000000\n-1.565722 5.274239 0.000000\n-1.729753 -2.210359 7.120446\nLi Fe Cu O\n4 2 3 10\ndirect\n0.217948 0.904324 0.397915 Li\n0.393637 0.294467 0.771536 Li\n0.606363 0.705533 0.228464 Li\n0.782052 0.095676 0.602085 Li\n0.094069 0.678119 0.686846 Fe\n0.905931 0.321881 0.313154 Fe\n0.000000 0.500000 0.000000 Cu\n0.696089 0.891478 0.902135 Cu\n0.303911 0.108522 0.097865 Cu\n0.050973 0.053106 0.854360 O\n0.337964 0.657799 0.916470 O\n0.112726 0.309448 0.537530 O\n0.449791 0.915454 0.685171 O\n0.211728 0.518987 0.236745 O\n0.788272 0.481013 0.763255 O\n0.550209 0.084546 0.314829 O\n0.887274 0.690552 0.462470 O\n0.662036 0.342201 0.083530 O\n0.949027 0.946894 0.145640 O\n",
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{
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"structure_string": "Sr1 Mg6 Ni1 O8\n1.0\n8.704861 0.000000 0.000000\n0.000000 4.470366 0.000000\n0.000000 0.000000 4.470366\nSr Mg Ni O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259057 0.000000 0.500000 Mg\n0.740943 0.000000 0.500000 Mg\n0.259057 0.500000 0.000000 Mg\n0.740943 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ni\n0.251137 0.000000 0.000000 O\n0.748863 0.000000 0.000000 O\n0.272789 0.500000 0.500000 O\n0.727211 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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{
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"structure_string": "Mn1 Cd1 S2\n1.0\n2.049763 -3.550294 0.000000\n2.049763 3.550294 0.000000\n0.000000 0.000000 6.644164\nMn Cd S\n1 1 2\ndirect\n0.000000 0.000000 0.001471 Mn\n0.666667 0.333333 0.498201 Cd\n0.666667 0.333333 0.111797 S\n0.000000 0.000000 0.638532 S\n",
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{
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}