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{
"id": "mp-557025",
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"structure_string": "K24 Se12 O48\n1.0\n6.146550 0.000000 0.000000\n0.000000 10.652734 0.000000\n0.000000 0.000000 23.369937\nK Se O\n24 12 48\ndirect\n0.767624 0.294214 0.333454 K\n0.267624 0.705786 0.666546 K\n0.251089 0.421777 0.109868 K\n0.232378 0.705867 0.000229 K\n0.732378 0.205867 0.499771 K\n0.267624 0.794214 0.166546 K\n0.232378 0.794133 0.500229 K\n0.751089 0.578223 0.890132 K\n0.756535 0.206537 0.166895 K\n0.756535 0.293463 0.666895 K\n0.734272 0.923273 0.056609 K\n0.734272 0.576727 0.556609 K\n0.234272 0.076727 0.943391 K\n0.265622 0.079977 0.276726 K\n0.265622 0.420023 0.776726 K\n0.765622 0.579977 0.223274 K\n0.251089 0.078223 0.609868 K\n0.767624 0.205786 0.833454 K\n0.256535 0.793463 0.833105 K\n0.234272 0.423273 0.443391 K\n0.765622 0.920023 0.723274 K\n0.256535 0.706537 0.333105 K\n0.732378 0.294133 0.999771 K\n0.751089 0.921777 0.390132 K\n0.254456 0.418040 0.259252 Se\n0.235880 0.082130 0.092850 Se\n0.253485 0.081354 0.425919 Se\n0.735880 0.582130 0.407150 Se\n0.253485 0.418646 0.925919 Se\n0.754456 0.918040 0.240748 Se\n0.235880 0.417870 0.592850 Se\n0.753485 0.581354 0.074081 Se\n0.754456 0.581960 0.740748 Se\n0.735880 0.917870 0.907150 Se\n0.254456 0.081960 0.759252 Se\n0.753485 0.918646 0.574081 Se\n0.529135 0.644058 0.770065 O\n0.018413 0.339721 0.567908 O\n0.974020 0.847954 0.601875 O\n0.463755 0.339209 0.576003 O\n0.244214 0.559321 0.560535 O\n0.529906 0.835853 0.590662 O\n0.963755 0.839209 0.923997 O\n0.282676 0.429675 0.996653 O\n0.029135 0.355942 0.229935 O\n0.018413 0.160279 0.067908 O\n0.782676 0.570325 0.003347 O\n0.744214 0.059321 0.939465 O\n0.232346 0.937716 0.396351 O\n0.974020 0.652046 0.101875 O\n0.463755 0.160791 0.076003 O\n0.713892 0.934980 0.836514 O\n0.795578 0.440318 0.770899 O\n0.713892 0.565020 0.336514 O\n0.474020 0.152046 0.398125 O\n0.963755 0.660791 0.423997 O\n0.295578 0.940318 0.729101 O\n0.744214 0.440679 0.439465 O\n0.244214 0.940679 0.060535 O\n0.029135 0.144058 0.729935 O\n0.282676 0.070325 0.496653 O\n0.029906 0.335853 0.909338 O\n0.213892 0.434980 0.663486 O\n0.716189 0.932183 0.170404 O\n0.468168 0.174885 0.744903 O\n0.795578 0.059682 0.270899 O\n0.518413 0.839721 0.932092 O\n0.529906 0.664147 0.090662 O\n0.216189 0.067817 0.829596 O\n0.732345 0.062284 0.603649 O\n0.732345 0.437716 0.103649 O\n0.468168 0.325115 0.244903 O\n0.213892 0.065020 0.163486 O\n0.529135 0.855942 0.270065 O\n0.716189 0.567817 0.670404 O\n0.295578 0.559682 0.229101 O\n0.029906 0.164147 0.409338 O\n0.782676 0.929675 0.503347 O\n0.518413 0.660279 0.432092 O\n0.216189 0.432183 0.329596 O\n0.474020 0.347954 0.898125 O\n0.232346 0.562284 0.896351 O\n0.968168 0.674885 0.755097 O\n0.968168 0.825115 0.255097 O\n",
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"formula_full": "K24 Se12 O48",
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"updated_at": "2021-11-28T01:38:27.019000Z",
"spacegroup": 33
},
{
"id": "mp-16451",
"created_at": "2022-09-04T14:48:10.738353Z",
"structure_string": "Ba2 Pr4 Co2 S10\n1.0\n-3.963362 3.963362 6.764534\n3.963362 -3.963362 6.764534\n3.963362 3.963362 -6.764534\nBa Pr Co S\n2 4 2 10\ndirect\n0.250000 0.250000 0.000000 Ba\n0.750000 0.750000 0.000000 Ba\n0.336784 0.163216 0.500000 Pr\n0.163216 0.663216 0.826432 Pr\n0.836784 0.336784 0.173568 Pr\n0.663216 0.836784 0.500000 Pr\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.490928 0.990928 0.209267 S\n0.218338 0.718338 0.209267 S\n0.509072 0.009072 0.790733 S\n0.009072 0.218338 0.500000 S\n0.718338 0.509072 0.500000 S\n0.990928 0.781662 0.500000 S\n0.281662 0.490928 0.500000 S\n0.781662 0.281662 0.790733 S\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n",
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{
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"created_at": "2022-09-04T14:48:05.083607Z",
"structure_string": "B8 Te4 O20\n1.0\n5.080401 5.138429 0.000000\n-5.080401 5.138429 0.000000\n0.000000 3.613744 9.021870\nB Te O\n8 4 20\ndirect\n0.371388 0.860270 0.869047 B\n0.254409 0.102474 0.004366 B\n0.860270 0.371388 0.369047 B\n0.102474 0.254409 0.504366 B\n0.897526 0.745591 0.495634 B\n0.139730 0.628612 0.630953 B\n0.745591 0.897526 0.995634 B\n0.628612 0.139730 0.130953 B\n0.381009 0.270350 0.673500 Te\n0.270350 0.381009 0.173500 Te\n0.729650 0.618991 0.826500 Te\n0.618991 0.729650 0.326500 Te\n0.444242 0.680938 0.889749 O\n0.395316 0.981268 0.731468 O\n0.680938 0.444242 0.389749 O\n0.272502 0.263696 0.883639 O\n0.785252 0.867247 0.856167 O\n0.981268 0.395316 0.231468 O\n0.916208 0.279309 0.497667 O\n0.720691 0.083792 0.002333 O\n0.263696 0.272502 0.383639 O\n0.867247 0.785252 0.356167 O\n0.132753 0.214748 0.643833 O\n0.736304 0.727498 0.616361 O\n0.279309 0.916208 0.997667 O\n0.083792 0.720691 0.502333 O\n0.018732 0.604684 0.768532 O\n0.214748 0.132753 0.143833 O\n0.727498 0.736304 0.116361 O\n0.319062 0.555758 0.610251 O\n0.604684 0.018732 0.268532 O\n0.555758 0.319062 0.110251 O\n",
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"volume": 471.03688188028747,
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"formula_full": "B8 Te4 O20",
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{
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"created_at": "2022-09-04T14:48:06.139591Z",
"structure_string": "Th1 Al2 Fe3\n1.0\n2.669239 -4.350143 0.000000\n2.669239 4.350143 0.000000\n0.000000 0.000000 4.122605\nTh Al Fe\n1 2 3\ndirect\n0.500000 0.500000 0.000000 Th\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.160109 0.839891 0.000000 Fe\n0.839891 0.160109 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n",
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{
"id": "mp-1195093",
"created_at": "2022-09-04T14:48:05.838029Z",
"structure_string": "Sr12 Sn8 As16\n1.0\n19.424000 0.000000 0.000000\n0.000000 7.812478 0.000000\n0.000000 2.898530 7.255601\nSr Sn As\n12 8 16\ndirect\n0.817485 0.788407 0.010383 Sr\n0.317485 0.211593 0.489617 Sr\n0.182515 0.211593 0.989617 Sr\n0.682515 0.788407 0.510383 Sr\n0.559737 0.741388 0.011115 Sr\n0.059737 0.258612 0.488885 Sr\n0.440263 0.258612 0.988885 Sr\n0.940263 0.741388 0.511115 Sr\n0.061371 0.736859 0.004748 Sr\n0.561371 0.263141 0.495252 Sr\n0.938629 0.263141 0.995252 Sr\n0.438629 0.736859 0.504748 Sr\n0.377576 0.792393 0.028864 Sn\n0.877576 0.207607 0.471136 Sn\n0.622424 0.207607 0.971136 Sn\n0.122424 0.792393 0.528864 Sn\n0.243977 0.678235 0.409807 Sn\n0.743977 0.321765 0.090193 Sn\n0.756023 0.321765 0.590193 Sn\n0.256023 0.678235 0.909807 Sn\n0.554657 0.995809 0.259458 As\n0.054657 0.004191 0.240542 As\n0.445343 0.004191 0.740542 As\n0.945343 0.995809 0.759458 As\n0.317383 0.976894 0.221948 As\n0.817383 0.023106 0.278052 As\n0.682617 0.023106 0.778052 As\n0.182617 0.976894 0.721948 As\n0.436634 0.490713 0.253427 As\n0.936634 0.509287 0.246573 As\n0.563366 0.509287 0.746573 As\n0.063366 0.490713 0.753427 As\n0.194476 0.473600 0.227136 As\n0.694476 0.526400 0.272864 As\n0.805524 0.526400 0.772864 As\n0.305524 0.473600 0.727136 As\n",
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{
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"structure_string": "Fe2 H2 O4\n1.0\n1.316539 -7.570555 0.000000\n1.316539 7.570555 0.000000\n0.000000 0.000000 4.048552\nFe H O\n2 2 4\ndirect\n0.312021 0.687979 0.750000 Fe\n0.687979 0.312021 0.250000 Fe\n0.443325 0.556675 0.750000 H\n0.556675 0.443325 0.250000 H\n0.286316 0.713684 0.250000 O\n0.713684 0.286316 0.750000 O\n0.082760 0.917240 0.250000 O\n0.917240 0.082760 0.750000 O\n",
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{
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"structure_string": "Li1 Ti1 V2 Cr1 O10\n1.0\n6.561202 0.000000 0.000000\n0.000000 6.561202 0.000000\n0.000000 0.000000 5.281002\nLi Ti V Cr O\n1 1 2 1 10\ndirect\n0.250000 0.750000 0.000000 Li\n0.750000 0.250000 0.500000 Ti\n0.250000 0.250000 0.610090 V\n0.750000 0.750000 0.389910 V\n0.250000 0.750000 0.500000 Cr\n0.045155 0.750000 0.296344 O\n0.250000 0.250000 0.303302 O\n0.250000 0.545155 0.703656 O\n0.250000 0.954845 0.703656 O\n0.454845 0.750000 0.296344 O\n0.519968 0.250000 0.699070 O\n0.750000 0.019968 0.300930 O\n0.750000 0.480032 0.300930 O\n0.750000 0.750000 0.696698 O\n0.980032 0.250000 0.699070 O\n",
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