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{
"id": "mp-25262",
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"structure_string": "Ti4 O8\n1.0\n0.000000 4.219175 4.219175\n4.219175 0.000000 4.219175\n4.219175 4.219175 0.000000\nTi O\n4 8\ndirect\n0.125000 0.125000 0.625000 Ti\n0.625000 0.125000 0.125000 Ti\n0.125000 0.625000 0.125000 Ti\n0.125000 0.125000 0.125000 Ti\n0.890799 0.890799 0.890799 O\n0.890799 0.327603 0.890799 O\n0.890799 0.890799 0.327603 O\n0.327603 0.890799 0.890799 O\n0.359201 0.359201 0.922397 O\n0.922397 0.359201 0.359201 O\n0.359201 0.922397 0.359201 O\n0.359201 0.359201 0.359201 O\n",
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{
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"structure_string": "Mg3 Al1\n1.0\n3.157168 0.000000 0.000000\n0.000000 4.975182 0.000000\n0.000000 0.000000 5.374834\nMg Al\n3 1\ndirect\n0.000000 0.000000 0.666983 Mg\n0.000000 0.500000 0.328926 Mg\n0.500000 0.500000 0.837328 Mg\n0.500000 0.000000 0.166763 Al\n",
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{
"id": "mp-1075277",
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"structure_string": "Mg6 Si8\n1.0\n4.071195 0.000000 0.000000\n0.000000 8.123803 0.000000\n0.000000 3.373174 7.694336\nMg Si\n6 8\ndirect\n0.000000 0.288259 0.491717 Mg\n0.500000 0.059671 0.795121 Mg\n0.500000 0.627901 0.855323 Mg\n0.000000 0.310795 0.871912 Mg\n0.500000 0.949150 0.463485 Mg\n0.500000 0.655911 0.254899 Mg\n0.000000 0.892215 0.685382 Si\n0.000000 0.671364 0.522212 Si\n0.500000 0.305492 0.241995 Si\n0.000000 0.469293 0.111537 Si\n0.000000 0.791946 0.004901 Si\n0.500000 0.093987 0.108804 Si\n0.500000 0.465290 0.614233 Si\n0.000000 0.918583 0.225199 Si\n",
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"volume": 254.479284598325,
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"formula_full": "Mg6 Si8",
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{
"id": "mp-9854",
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"structure_string": "Y2 P10\n1.0\n9.438154 0.000000 0.000000\n0.000000 4.958788 0.000000\n0.000000 1.126724 5.245526\nY P\n2 10\ndirect\n0.250000 0.996525 0.346372 Y\n0.750000 0.003475 0.653628 Y\n0.250000 0.723315 0.892227 P\n0.750000 0.276685 0.107773 P\n0.407483 0.384059 0.954821 P\n0.907483 0.615941 0.045179 P\n0.592517 0.615941 0.045179 P\n0.092517 0.384059 0.954821 P\n0.471628 0.286070 0.594943 P\n0.971628 0.713930 0.405057 P\n0.528372 0.713930 0.405057 P\n0.028372 0.286070 0.594943 P\n",
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"formula_full": "Y2 P10",
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{
"id": "mp-1257615",
"created_at": "2022-09-04T14:41:25.496518Z",
"structure_string": "Mg4 Si8\n1.0\n3.337928 -0.020644 -0.014685\n-3.386925 9.206751 0.009854\n-0.040704 0.008108 6.748244\nMg Si\n4 8\ndirect\n0.250953 0.999876 0.041850 Mg\n0.251772 0.500194 0.791478 Mg\n0.251321 0.999852 0.541572 Mg\n0.251298 0.500079 0.291732 Mg\n0.949464 0.200187 0.292917 Si\n0.552318 0.799755 0.292591 Si\n0.950465 0.700208 0.540940 Si\n0.949521 0.199225 0.791215 Si\n0.553206 0.299715 0.540149 Si\n0.553458 0.800797 0.790966 Si\n0.949629 0.699303 0.042627 Si\n0.552348 0.300810 0.041963 Si\n",
"nsites": 12,
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{
"id": "mp-1193529",
"created_at": "2022-09-04T14:41:20.995236Z",
"structure_string": "Pr2 Be26\n1.0\n0.000000 5.165331 5.165331\n5.165331 0.000000 5.165331\n5.165331 5.165331 0.000000\nPr Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.787610 0.563504 0.212390 Be\n0.212390 0.436496 0.787610 Be\n0.563504 0.787610 0.436496 Be\n0.436496 0.212390 0.563504 Be\n0.287610 0.936496 0.712390 Be\n0.712390 0.063504 0.287610 Be\n0.936496 0.287610 0.063504 Be\n0.063504 0.712390 0.936496 Be\n0.212390 0.787610 0.563504 Be\n0.787610 0.212390 0.436496 Be\n0.436496 0.563504 0.787610 Be\n0.563504 0.436496 0.212390 Be\n0.712390 0.287610 0.936496 Be\n0.287610 0.712390 0.063504 Be\n0.063504 0.936496 0.287610 Be\n0.936496 0.063504 0.712390 Be\n0.563504 0.212390 0.787610 Be\n0.436496 0.787610 0.212390 Be\n0.787610 0.436496 0.563504 Be\n0.212390 0.563504 0.436496 Be\n0.936496 0.712390 0.287610 Be\n0.063504 0.287610 0.712390 Be\n0.287610 0.063504 0.936496 Be\n0.712390 0.936496 0.063504 Be\n",
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"volume": 275.628718614218,
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"formula_full": "Pr2 Be26",
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},
{
"id": "mp-1072419",
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"structure_string": "Sm1 Ge5\n1.0\n-2.010821 3.098628 4.970348\n2.010821 -3.098628 4.970348\n2.010821 3.098628 -4.970348\nSm Ge\n1 5\ndirect\n0.000000 0.000000 0.000000 Sm\n0.538088 0.330093 0.207994 Ge\n0.461912 0.669907 0.792006 Ge\n0.877901 0.669907 0.207994 Ge\n0.122099 0.330093 0.792006 Ge\n0.500000 0.000000 0.500000 Ge\n",
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{
"id": "mp-1216823",
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"structure_string": "U2 Ge3\n1.0\n-2.255059 -3.908495 0.000000\n-2.258968 3.910751 0.000000\n0.000000 0.000000 -6.112476\nU Ge\n2 3\ndirect\n0.999927 0.999979 0.030846 U\n0.999927 0.999979 0.469154 U\n0.333197 0.666548 0.750000 Ge\n0.666967 0.333650 0.250000 Ge\n0.666482 0.333145 0.750000 Ge\n",
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{
"id": "mp-568417",
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"structure_string": "Pr4 Al4\n1.0\n3.842835 -4.673339 0.000000\n3.842835 4.673339 0.000000\n0.000000 0.000000 5.765476\nPr Al\n4 4\ndirect\n0.979164 0.338954 0.250000 Pr\n0.338954 0.979164 0.250000 Pr\n0.661046 0.020836 0.750000 Pr\n0.020836 0.661046 0.750000 Pr\n0.802077 0.802077 0.250000 Al\n0.197923 0.197923 0.750000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n",
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{
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"structure_string": "Zr2 B2\n1.0\n1.806237 -3.128494 0.000000\n1.806237 3.128494 0.000000\n0.000000 0.000000 5.240557\nZr B\n2 2\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.232647 B\n0.000000 0.000000 0.767353 B\n",
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{
"id": "mp-1186833",
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"structure_string": "Pu2 Mn6\n1.0\n5.226269 -0.004781 0.000000\n-2.617278 4.530916 0.000000\n0.000000 0.000000 4.242848\nPu Mn\n2 6\ndirect\n0.333808 0.666419 0.750001 Pu\n0.667674 0.333458 0.250000 Pu\n0.164524 0.329664 0.250000 Mn\n0.670323 0.835330 0.250000 Mn\n0.164493 0.835065 0.250000 Mn\n0.835134 0.670659 0.750001 Mn\n0.329033 0.164638 0.750001 Mn\n0.835010 0.164765 0.750001 Mn\n",
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"formula_full": "Pu2 Mn6",
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{
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"structure_string": "Hf4 Al2\n1.0\n-3.427001 3.427001 2.610960\n3.427001 -3.427001 2.610960\n3.427001 3.427001 -2.610960\nHf Al\n4 2\ndirect\n0.651163 0.848837 0.500000 Hf\n0.848837 0.348837 0.197674 Hf\n0.348837 0.151163 0.500000 Hf\n0.151163 0.651163 0.802326 Hf\n0.750000 0.750000 0.000000 Al\n0.250000 0.250000 0.000000 Al\n",
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]
}