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{
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{
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"spacegroup": 62
},
{
"id": "mp-978547",
"created_at": "2022-09-04T14:41:30.242387Z",
"structure_string": "Sm1 Lu1 In2\n1.0\n0.000000 3.768526 3.768526\n3.768526 0.000000 3.768526\n3.768526 3.768526 0.000000\nSm Lu In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
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"spacegroup": 225
},
{
"id": "mp-1224013",
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"structure_string": "Ho3 Mg1\n1.0\n3.609041 0.000000 0.000000\n0.000000 3.609041 0.000000\n0.000000 0.000000 8.967956\nHo Mg\n3 1\ndirect\n0.500000 0.500000 0.766244 Ho\n0.000000 0.000000 0.500000 Ho\n0.500000 0.500000 0.233756 Ho\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "mp-1212525",
"created_at": "2022-09-04T14:41:30.271616Z",
"structure_string": "H2 Pb6 Cl8 O2 F2\n1.0\n-7.273262 0.000000 0.000000\n-0.033119 -7.889421 0.000000\n1.679619 1.989871 8.285493\nH Pb Cl O F\n2 6 8 2 2\ndirect\n0.993186 0.753410 0.005164 H\n0.006814 0.246590 0.994836 H\n0.250638 0.839910 0.410862 Pb\n0.749362 0.160090 0.589138 Pb\n0.661002 0.785520 0.130381 Pb\n0.338998 0.214480 0.869619 Pb\n0.712737 0.639918 0.595774 Pb\n0.287263 0.360082 0.404226 Pb\n0.919249 0.076385 0.302795 Cl\n0.080751 0.923615 0.697205 Cl\n0.650996 0.980124 0.856563 Cl\n0.349004 0.019876 0.143437 Cl\n0.923341 0.581048 0.308405 Cl\n0.076659 0.418952 0.691595 Cl\n0.354053 0.539686 0.144077 Cl\n0.645947 0.460314 0.855923 Cl\n0.605519 0.365101 0.461633 O\n0.394481 0.634899 0.538367 O\n0.615168 0.861870 0.422991 F\n0.384832 0.138130 0.577009 F\n",
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"elements": [
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},
{
"id": "mp-1080650",
"created_at": "2022-09-04T14:41:30.462682Z",
"structure_string": "Ba2 Cu2 S2 F2\n1.0\n4.129926 0.000000 0.000000\n0.000000 4.129926 0.000000\n0.000000 0.000000 9.106466\nBa Cu S F\n2 2 2 2\ndirect\n0.000000 0.500000 0.819903 Ba\n0.500000 0.000000 0.180097 Ba\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.356507 S\n0.500000 0.000000 0.643493 S\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
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{
"id": "mp-559692",
"created_at": "2022-09-04T14:41:30.184678Z",
"structure_string": "Ta8 Cd4 P24 O84\n1.0\n8.503791 0.000000 0.000000\n0.000000 13.371199 0.000000\n0.000000 0.000000 16.097967\nTa Cd P O\n8 4 24 84\ndirect\n0.338263 0.634124 0.914626 Ta\n0.661737 0.365876 0.414626 Ta\n0.661737 0.365876 0.085374 Ta\n0.161737 0.134124 0.585374 Ta\n0.338263 0.634124 0.585374 Ta\n0.838263 0.865876 0.414626 Ta\n0.161737 0.134124 0.914626 Ta\n0.838263 0.865876 0.085374 Ta\n0.676226 0.352331 0.750000 Cd\n0.823774 0.852331 0.750000 Cd\n0.323774 0.647669 0.250000 Cd\n0.176226 0.147669 0.250000 Cd\n0.294754 0.471847 0.418173 P\n0.205246 0.971847 0.081827 P\n0.941252 0.695609 0.929285 P\n0.294754 0.471847 0.081827 P\n0.713327 0.531347 0.250000 P\n0.941252 0.695609 0.570715 P\n0.919522 0.712483 0.250000 P\n0.058748 0.304391 0.070715 P\n0.419522 0.787517 0.750000 P\n0.558748 0.195609 0.570715 P\n0.786673 0.031347 0.250000 P\n0.705246 0.528153 0.581827 P\n0.441252 0.804391 0.429285 P\n0.205246 0.971847 0.418173 P\n0.794754 0.028153 0.918173 P\n0.213327 0.968653 0.750000 P\n0.558748 0.195609 0.929285 P\n0.794754 0.028153 0.581827 P\n0.441252 0.804391 0.070715 P\n0.286673 0.468653 0.750000 P\n0.580478 0.212483 0.250000 P\n0.058748 0.304391 0.429285 P\n0.705246 0.528153 0.918173 P\n0.080478 0.287517 0.750000 P\n0.115572 0.662678 0.561114 O\n0.425294 0.401789 0.750000 O\n0.772302 0.963363 0.327875 O\n0.658565 0.259990 0.171915 O\n0.100849 0.264975 0.346666 O\n0.092388 0.722886 0.250000 O\n0.163227 0.030664 0.001457 O\n0.341435 0.740010 0.671915 O\n0.227698 0.036637 0.672125 O\n0.600849 0.235025 0.653334 O\n0.899151 0.735025 0.653334 O\n0.344361 0.902924 0.453755 O\n0.936156 0.097882 0.602531 O\n0.336773 0.530664 0.001457 O\n0.384428 0.162678 0.938886 O\n0.739857 0.965350 0.651866 O\n0.906444 0.766111 0.496365 O\n0.663227 0.469336 0.501457 O\n0.126539 0.404274 0.750000 O\n0.093556 0.233889 0.503635 O\n0.906444 0.766111 0.003635 O\n0.063844 0.902118 0.397469 O\n0.407612 0.222886 0.250000 O\n0.260143 0.034650 0.348134 O\n0.600849 0.235025 0.846666 O\n0.063844 0.902118 0.102531 O\n0.592388 0.777114 0.750000 O\n0.272302 0.536637 0.672125 O\n0.093556 0.233889 0.996365 O\n0.272302 0.536637 0.827875 O\n0.663227 0.469336 0.998543 O\n0.155639 0.402924 0.453755 O\n0.739857 0.965350 0.848134 O\n0.658565 0.259990 0.328085 O\n0.936156 0.097882 0.897469 O\n0.899151 0.735025 0.846666 O\n0.227698 0.036637 0.827875 O\n0.925294 0.098211 0.250000 O\n0.772302 0.963363 0.172125 O\n0.436156 0.402118 0.102531 O\n0.341435 0.740010 0.828085 O\n0.373461 0.904274 0.750000 O\n0.115572 0.662678 0.938886 O\n0.563844 0.597882 0.602531 O\n0.158565 0.240010 0.828085 O\n0.760143 0.465350 0.651866 O\n0.593556 0.266111 0.496365 O\n0.399151 0.764975 0.153334 O\n0.155639 0.402924 0.046245 O\n0.406444 0.733889 0.996365 O\n0.655639 0.097076 0.953755 O\n0.563844 0.597882 0.897469 O\n0.884428 0.337322 0.438886 O\n0.615572 0.837322 0.438886 O\n0.841435 0.759990 0.171915 O\n0.727698 0.463363 0.172125 O\n0.399151 0.764975 0.346666 O\n0.836773 0.969336 0.501457 O\n0.844361 0.597076 0.953755 O\n0.074706 0.901789 0.750000 O\n0.615572 0.837322 0.061114 O\n0.873461 0.595726 0.250000 O\n0.239857 0.534650 0.348134 O\n0.163227 0.030664 0.498543 O\n0.626539 0.095726 0.250000 O\n0.727698 0.463363 0.327875 O\n0.844361 0.597076 0.546245 O\n0.836773 0.969336 0.998543 O\n0.574706 0.598211 0.250000 O\n0.239857 0.534650 0.151866 O\n0.907612 0.277114 0.750000 O\n0.593556 0.266111 0.003635 O\n0.436156 0.402118 0.397469 O\n0.100849 0.264975 0.153334 O\n0.655639 0.097076 0.546245 O\n0.406444 0.733889 0.503635 O\n0.336773 0.530664 0.498543 O\n0.841435 0.759990 0.328085 O\n0.760143 0.465350 0.848134 O\n0.384428 0.162678 0.561114 O\n0.158565 0.240010 0.671915 O\n0.884428 0.337322 0.061114 O\n0.260143 0.034650 0.151866 O\n0.344361 0.902924 0.046245 O\n",
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"formula_full": "Ta8 Cd4 P24 O84",
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{
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"structure_string": "Li1 Zn1 Sb4 O8\n1.0\n3.187159 0.411041 1.232499\n2.430774 7.934868 3.407052\n1.225663 2.261285 11.434398\nLi Zn Sb O\n1 1 4 8\ndirect\n0.008420 0.911960 0.262036 Li\n0.229441 0.208186 0.180692 Zn\n0.544895 0.182138 0.476243 Sb\n0.035253 0.625486 0.155936 Sb\n0.888905 0.410062 0.906061 Sb\n0.446927 0.735868 0.599511 Sb\n0.791139 0.710362 0.720276 O\n0.572001 0.404965 0.787686 O\n0.341012 0.674709 0.252886 O\n0.174562 0.346682 0.295710 O\n0.126263 0.006198 0.588481 O\n0.923234 0.151076 0.088422 O\n0.979593 0.015911 0.374084 O\n0.087353 0.482035 0.014518 O\n",
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{
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{
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"structure_string": "Er4 In1 Ni2 Ge4\n1.0\n2.104902 7.704677 0.000000\n-2.104902 7.704677 0.000000\n0.000000 2.242887 6.644194\nEr In Ni Ge\n4 1 2 4\ndirect\n0.344114 0.344114 0.937536 Er\n0.655886 0.655886 0.062464 Er\n0.408481 0.408481 0.391149 Er\n0.591519 0.591519 0.608851 Er\n0.000000 0.000000 0.000000 In\n0.217499 0.217499 0.359299 Ni\n0.782501 0.782501 0.640701 Ni\n0.065821 0.065821 0.337336 Ge\n0.934179 0.934179 0.662664 Ge\n0.202516 0.202516 0.732189 Ge\n0.797484 0.797484 0.267811 Ge\n",
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{
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}