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{
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{
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"structure_string": "Al5 Ni41 B12\n1.0\n12.275359 -3.698161 0.000000\n12.275359 3.698161 0.000000\n11.161225 0.000000 6.307764\nAl Ni B\n5 41 12\ndirect\n0.625087 0.625087 0.625087 Al\n0.125020 0.125020 0.125020 Al\n0.874980 0.874980 0.874980 Al\n0.374913 0.374913 0.374913 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.838411 0.161589 Ni\n0.000000 0.337423 0.662577 Ni\n0.161589 0.838411 0.500000 Ni\n0.662577 0.337423 0.000000 Ni\n0.832264 0.167557 0.832264 Ni\n0.329932 0.669921 0.329932 Ni\n0.000000 0.662577 0.337423 Ni\n0.500000 0.161589 0.838411 Ni\n0.832264 0.832264 0.167557 Ni\n0.329932 0.329932 0.669921 Ni\n0.662577 0.000000 0.337423 Ni\n0.161589 0.500000 0.838411 Ni\n0.330079 0.670068 0.670068 Ni\n0.832443 0.167736 0.167736 Ni\n0.670068 0.670068 0.330079 Ni\n0.167736 0.167736 0.832443 Ni\n0.670068 0.330079 0.670068 Ni\n0.167736 0.832443 0.167736 Ni\n0.167557 0.832264 0.832264 Ni\n0.669921 0.329932 0.329932 Ni\n0.337423 0.662577 0.000000 Ni\n0.838411 0.161589 0.500000 Ni\n0.838411 0.500000 0.161589 Ni\n0.337423 0.000000 0.662577 Ni\n0.426360 0.955662 0.426360 Ni\n0.926548 0.455909 0.926548 Ni\n0.426360 0.426360 0.955662 Ni\n0.926548 0.926548 0.455909 Ni\n0.191048 0.191048 0.191048 Ni\n0.691315 0.691315 0.691315 Ni\n0.955662 0.426360 0.426360 Ni\n0.455909 0.926548 0.926548 Ni\n0.073452 0.544091 0.073452 Ni\n0.573640 0.044338 0.573640 Ni\n0.073452 0.073452 0.544091 Ni\n0.573640 0.573640 0.044338 Ni\n0.308685 0.308685 0.308685 Ni\n0.808952 0.808952 0.808952 Ni\n0.544091 0.073452 0.073452 Ni\n0.044338 0.573640 0.573640 Ni\n0.000000 0.000000 0.000000 Ni\n0.363001 0.910883 0.363001 B\n0.863321 0.409602 0.863321 B\n0.590398 0.136679 0.136679 B\n0.089117 0.636999 0.636999 B\n0.136679 0.136679 0.590398 B\n0.636999 0.636999 0.089117 B\n0.136679 0.590398 0.136679 B\n0.636999 0.089117 0.636999 B\n0.363001 0.363001 0.910883 B\n0.863321 0.863321 0.409602 B\n0.910883 0.363001 0.363001 B\n0.409602 0.863321 0.863321 B\n",
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{
"id": "mp-1228615",
"created_at": "2022-09-04T14:43:11.211041Z",
"structure_string": "Ba1 Nb6 Bi6 Pb2 O27\n1.0\n3.959705 0.000000 0.000000\n0.000000 3.959705 0.000000\n-1.979852 -1.979852 38.220489\nBa Nb Bi Pb O\n1 6 6 2 27\ndirect\n0.166667 0.166667 0.333333 Ba\n0.637087 0.637087 0.274173 Nb\n0.304153 0.304153 0.608307 Nb\n0.970823 0.970823 0.941645 Nb\n0.029180 0.029180 0.058360 Nb\n0.696247 0.696247 0.392493 Nb\n0.362510 0.362510 0.725022 Nb\n0.099482 0.099482 0.198963 Bi\n0.766252 0.766252 0.532505 Bi\n0.432896 0.432896 0.865792 Bi\n0.567081 0.567081 0.134162 Bi\n0.233852 0.233852 0.467703 Bi\n0.900437 0.900437 0.800875 Bi\n0.833324 0.833324 0.666649 Pb\n0.500009 0.500009 0.000018 Pb\n0.612216 0.612216 0.224432 O\n0.279193 0.279193 0.558386 O\n0.945867 0.945867 0.891736 O\n0.054141 0.054141 0.108280 O\n0.721117 0.721117 0.442235 O\n0.387466 0.387466 0.774931 O\n0.083294 0.583294 0.166590 O\n0.750039 0.250039 0.500077 O\n0.416667 0.916667 0.833333 O\n0.583294 0.083294 0.166590 O\n0.250039 0.750039 0.500077 O\n0.916667 0.416667 0.833333 O\n0.140068 0.640068 0.280136 O\n0.807153 0.307153 0.614304 O\n0.473833 0.973833 0.947668 O\n0.640068 0.140068 0.280136 O\n0.307153 0.807153 0.614304 O\n0.973833 0.473833 0.947668 O\n0.526181 0.026181 0.052362 O\n0.193265 0.693265 0.386531 O\n0.859500 0.359500 0.718999 O\n0.026181 0.526181 0.052362 O\n0.693265 0.193265 0.386531 O\n0.359500 0.859500 0.718999 O\n0.000031 0.000031 0.000062 O\n0.666667 0.666667 0.333333 O\n0.333302 0.333302 0.666605 O\n",
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"formula_full": "Ba1 Nb6 Bi6 Pb2 O27",
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"spacegroup": 139
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{
"id": "mp-15161",
"created_at": "2022-09-04T14:43:53.666928Z",
"structure_string": "Tb4 Ru4 O14\n1.0\n0.000000 5.136209 5.136209\n5.136209 0.000000 5.136209\n5.136209 5.136209 0.000000\nTb Ru O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Tb\n0.625000 0.125000 0.625000 Tb\n0.125000 0.625000 0.625000 Tb\n0.625000 0.625000 0.625000 Tb\n0.125000 0.125000 0.625000 Ru\n0.125000 0.625000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n0.125000 0.125000 0.125000 Ru\n0.750000 0.750000 0.750000 O\n0.500000 0.500000 0.500000 O\n0.038206 0.461794 0.038206 O\n0.788206 0.211794 0.788206 O\n0.038206 0.038206 0.461794 O\n0.461794 0.038206 0.038206 O\n0.038206 0.461794 0.461794 O\n0.461794 0.461794 0.038206 O\n0.461794 0.038206 0.461794 O\n0.211794 0.788206 0.788206 O\n0.788206 0.211794 0.211794 O\n0.211794 0.788206 0.211794 O\n0.788206 0.788206 0.211794 O\n0.211794 0.211794 0.788206 O\n",
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{
"id": "mp-1235075",
"created_at": "2022-09-04T14:41:13.965878Z",
"structure_string": "Cs2 Li1 Tm2 W4 O16\n1.0\n4.119729 5.160395 -3.439567\n4.505413 -5.549836 -3.547495\n0.104157 -0.082012 -7.530813\nCs Li Tm W O\n2 1 2 4 16\ndirect\n0.765737 0.153305 0.791571 Cs\n0.220733 0.843312 0.231284 Cs\n0.003951 0.476710 0.359922 Li\n0.251876 0.799725 0.741254 Tm\n0.755653 0.201730 0.264807 Tm\n0.287430 0.319346 0.700474 W\n0.694957 0.682341 0.294347 W\n0.699085 0.682938 0.789818 W\n0.315468 0.303204 0.198791 W\n0.369805 0.266628 0.927160 O\n0.626152 0.735454 0.067186 O\n0.772495 0.611175 0.559425 O\n0.226202 0.386543 0.446029 O\n0.634725 0.916256 0.629172 O\n0.379483 0.075990 0.371868 O\n0.026488 0.325010 0.895456 O\n0.968372 0.671083 0.115007 O\n0.396356 0.621520 0.550899 O\n0.605566 0.384976 0.447543 O\n0.376111 0.593368 0.961336 O\n0.641583 0.410608 0.031033 O\n0.253206 0.062269 0.776262 O\n0.746367 0.934128 0.228391 O\n0.968515 0.764314 0.707927 O\n0.022017 0.261403 0.296967 O\n",
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{
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"structure_string": "Nd2 Sn4 Pd1\n1.0\n0.000000 0.000000 4.539394\n4.497139 0.000000 0.000000\n2.248570 9.134085 0.000000\nNd Sn Pd\n2 4 1\ndirect\n0.250000 0.895212 0.209575 Nd\n0.750000 0.103735 0.792531 Nd\n0.250000 0.540233 0.919535 Sn\n0.750000 0.439006 0.121989 Sn\n0.250000 0.262962 0.474075 Sn\n0.750000 0.761232 0.477536 Sn\n0.250000 0.682620 0.634760 Pd\n",
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"formula_full": "Nd2 Sn4 Pd1",
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{
"id": "mp-1077982",
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"structure_string": "Tb2 Fe2 Si2 C1\n1.0\n0.000000 -4.519826 0.000000\n2.969042 -2.259913 -4.034864\n2.999823 -2.259913 3.874775\nTb Fe Si C\n2 2 2 1\ndirect\n0.593291 0.095155 0.718264 Tb\n0.406709 0.904845 0.281736 Tb\n0.206096 0.721342 0.866468 Fe\n0.793904 0.278658 0.133532 Fe\n0.132552 0.487297 0.247598 Si\n0.867448 0.512703 0.752402 Si\n0.500000 0.500000 0.500000 C\n",
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{
"id": "mp-1199551",
"created_at": "2022-09-04T14:47:09.672326Z",
"structure_string": "Er4 Al6 Fe28\n1.0\n0.000000 0.000000 -8.174944\n-4.255126 -7.378995 0.000000\n-4.255126 7.378995 0.000000\nEr Al Fe\n4 6 28\ndirect\n0.750000 0.999913 0.000087 Er\n0.250000 0.000087 0.999913 Er\n0.250000 0.666719 0.333281 Er\n0.750000 0.333281 0.666719 Er\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.610868 0.666662 0.333338 Fe\n0.389132 0.333338 0.666662 Fe\n0.110868 0.333338 0.666662 Fe\n0.889132 0.666662 0.333338 Fe\n0.750000 0.679302 0.027858 Fe\n0.750000 0.348525 0.320501 Fe\n0.750000 0.972424 0.651699 Fe\n0.750000 0.348301 0.027576 Fe\n0.750000 0.972142 0.320698 Fe\n0.750000 0.679499 0.651475 Fe\n0.250000 0.320698 0.972142 Fe\n0.250000 0.651475 0.679499 Fe\n0.250000 0.027576 0.348301 Fe\n0.250000 0.651699 0.972424 Fe\n0.250000 0.027858 0.679302 Fe\n0.250000 0.320501 0.348525 Fe\n0.486030 0.834556 0.668796 Fe\n0.485933 0.834427 0.165573 Fe\n0.486030 0.331204 0.165444 Fe\n0.513970 0.165444 0.331204 Fe\n0.514067 0.165573 0.834427 Fe\n0.513970 0.668796 0.834556 Fe\n0.986030 0.165444 0.331204 Fe\n0.985933 0.165573 0.834427 Fe\n0.986030 0.668796 0.834556 Fe\n0.013970 0.834556 0.668796 Fe\n0.014067 0.834427 0.165573 Fe\n0.013970 0.331204 0.165444 Fe\n",
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{
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"created_at": "2022-09-04T14:44:18.732066Z",
"structure_string": "Cr10 Ge6\n1.0\n-4.660668 4.660668 2.358332\n4.660668 -4.660668 2.358332\n4.660668 4.660668 -2.358332\nCr Ge\n10 6\ndirect\n0.264905 0.421790 0.686694 Cr\n0.578210 0.264905 0.843115 Cr\n0.735095 0.578210 0.313306 Cr\n0.750000 0.250000 0.500000 Cr\n0.764905 0.078210 0.843115 Cr\n0.078210 0.235095 0.313306 Cr\n0.421790 0.735095 0.156885 Cr\n0.235095 0.921790 0.156885 Cr\n0.921790 0.764905 0.686694 Cr\n0.250000 0.750000 0.500000 Cr\n0.666610 0.833390 0.500000 Ge\n0.250000 0.250000 0.000000 Ge\n0.750000 0.750000 0.000000 Ge\n0.833390 0.333390 0.166780 Ge\n0.166610 0.666610 0.833220 Ge\n0.333390 0.166610 0.500000 Ge\n",
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