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{
"id": "mp-1025575",
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"structure_string": "Mo1 W2 Se6\n1.0\n1.661340 -2.877526 0.000000\n1.661340 2.877526 0.000000\n0.000000 0.000000 30.740799\nMo W Se\n1 2 6\ndirect\n0.666667 0.333333 0.000000 Mo\n0.333333 0.666667 0.768661 W\n0.333333 0.666667 0.231339 W\n0.333333 0.666667 0.054529 Se\n0.666667 0.333333 0.713871 Se\n0.666667 0.333333 0.176542 Se\n0.666667 0.333333 0.823458 Se\n0.666667 0.333333 0.286129 Se\n0.333333 0.666667 0.945471 Se\n",
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{
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"structure_string": "K4 P8 H16 Pt4 O36\n1.0\n7.947498 0.033648 1.232807\n3.269137 7.332134 1.132829\n0.085252 0.066741 14.020555\nK P H Pt O\n4 8 16 4 36\ndirect\n0.886548 0.350860 0.367735 K\n0.113452 0.649140 0.632265 K\n0.604760 0.194286 0.093487 K\n0.395240 0.805714 0.906513 K\n0.358113 0.305641 0.363103 P\n0.641887 0.694359 0.636897 P\n0.143378 0.114990 0.607525 P\n0.856622 0.885010 0.392475 P\n0.307910 0.376040 0.856068 P\n0.692090 0.623960 0.143932 P\n0.110989 0.136339 0.090423 P\n0.889011 0.863661 0.909577 P\n0.450407 0.699074 0.313316 H\n0.549593 0.300926 0.686684 H\n0.239204 0.829484 0.348175 H\n0.760796 0.170516 0.651825 H\n0.552054 0.398181 0.263829 H\n0.447946 0.601819 0.736171 H\n0.932751 0.392059 0.589919 H\n0.067249 0.607941 0.410081 H\n0.777730 0.270265 0.863070 H\n0.222270 0.729735 0.136930 H\n0.789159 0.432383 0.782040 H\n0.210841 0.567617 0.217960 H\n0.546419 0.118080 0.890207 H\n0.453581 0.881920 0.109793 H\n0.962701 0.053220 0.227541 H\n0.037299 0.946780 0.772459 H\n0.456268 0.907889 0.451117 Pt\n0.543732 0.092111 0.548883 Pt\n0.907451 0.466992 0.946468 Pt\n0.092549 0.533008 0.053532 Pt\n0.362147 0.755765 0.370944 O\n0.637853 0.244235 0.629056 O\n0.318928 0.132838 0.363679 O\n0.681072 0.867162 0.636321 O\n0.528629 0.282159 0.282937 O\n0.471371 0.717841 0.717063 O\n0.189898 0.475145 0.333246 O\n0.810102 0.524855 0.666754 O\n0.407849 0.323675 0.463221 O\n0.592151 0.676325 0.536779 O\n0.217654 0.954820 0.540566 O\n0.782346 0.045180 0.459434 O\n0.022416 0.294774 0.545032 O\n0.977584 0.705226 0.454968 O\n0.013264 0.081999 0.692396 O\n0.986736 0.918001 0.307604 O\n0.304931 0.143680 0.640973 O\n0.695069 0.856320 0.359027 O\n0.752460 0.402421 0.852677 O\n0.247540 0.597579 0.147323 O\n0.109284 0.417327 0.834959 O\n0.890716 0.582673 0.165041 O\n0.306295 0.479553 0.943051 O\n0.693705 0.520447 0.056949 O\n0.408379 0.162795 0.882211 O\n0.591621 0.837205 0.117789 O\n0.407084 0.433355 0.763919 O\n0.592916 0.566645 0.236081 O\n0.023909 0.196007 0.991877 O\n0.976091 0.803993 0.008122 O\n0.252376 0.938336 0.093343 O\n0.747624 0.061664 0.906657 O\n0.207887 0.262672 0.104489 O\n0.792113 0.737328 0.895511 O\n0.944829 0.160166 0.171870 O\n0.055171 0.839834 0.828130 O\n",
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{
"id": "mp-979412",
"created_at": "2022-09-04T14:46:17.028841Z",
"structure_string": "Th3 B1\n1.0\n4.660912 0.000000 0.000000\n0.000000 4.660912 0.000000\n0.000000 0.000000 4.660912\nTh B\n3 1\ndirect\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 B\n",
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{
"id": "mp-34196",
"created_at": "2022-09-04T14:45:25.351291Z",
"structure_string": "Ca2 Sm16 Se24\n1.0\n6.271564 6.261152 0.000000\n-6.271564 6.261152 0.000000\n0.000000 6.254869 13.281446\nCa Sm Se\n2 16 24\ndirect\n0.041589 0.916601 0.166641 Ca\n0.916601 0.041589 0.666641 Ca\n0.751440 0.124444 0.999305 Sm\n0.249415 0.375165 0.001263 Sm\n0.458091 0.709853 0.082722 Sm\n0.372922 0.125718 0.249976 Sm\n0.082717 0.456137 0.333393 Sm\n0.794825 0.416198 0.166701 Sm\n0.584862 0.708049 0.332784 Sm\n0.792494 0.041693 0.416357 Sm\n0.375165 0.249415 0.501263 Sm\n0.416198 0.794825 0.666701 Sm\n0.709853 0.458091 0.582722 Sm\n0.124444 0.751440 0.499305 Sm\n0.125718 0.372922 0.749976 Sm\n0.708049 0.584862 0.832784 Sm\n0.041693 0.792494 0.916357 Sm\n0.456137 0.082717 0.833393 Sm\n0.550100 0.401609 0.049552 Se\n0.761506 0.763923 0.117563 Se\n0.405773 0.050287 0.048508 Se\n0.286447 0.782048 0.285382 Se\n0.432662 0.431404 0.283502 Se\n0.117101 0.616907 0.116309 Se\n0.882248 0.733467 0.383671 Se\n0.067345 0.216921 0.216216 Se\n0.100493 0.100207 0.449452 Se\n0.733122 0.382947 0.382940 Se\n0.711744 0.069208 0.216754 Se\n0.616907 0.117101 0.616309 Se\n0.763923 0.761506 0.617563 Se\n0.450750 0.949569 0.451008 Se\n0.216921 0.067345 0.716216 Se\n0.401609 0.550100 0.549552 Se\n0.431404 0.432662 0.783502 Se\n0.069208 0.711744 0.716754 Se\n0.050287 0.405773 0.548508 Se\n0.949569 0.450750 0.951008 Se\n0.100207 0.100493 0.949452 Se\n0.782048 0.286447 0.785382 Se\n0.733467 0.882248 0.883671 Se\n0.382947 0.733122 0.882940 Se\n",
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"formula_full": "Ca2 Sm16 Se24",
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{
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"structure_string": "Hf2 V4\n1.0\n0.000000 3.657574 3.657574\n3.657574 0.000000 3.657574\n3.657574 3.657574 0.000000\nHf V\n2 4\ndirect\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Hf\n0.625000 0.625000 0.125000 V\n0.625000 0.125000 0.625000 V\n0.125000 0.625000 0.625000 V\n0.625000 0.625000 0.625000 V\n",
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{
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{
"id": "mp-1212477",
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"structure_string": "Hg12 B4 I8 O8 F16\n1.0\n13.442784 0.000000 0.000000\n0.000000 7.666612 0.000000\n0.000000 7.194026 10.473867\nHg B I O F\n12 4 8 8 16\ndirect\n0.690508 0.227735 0.233644 Hg\n0.309492 0.772265 0.766356 Hg\n0.190508 0.772265 0.266356 Hg\n0.809492 0.227735 0.733644 Hg\n0.691416 0.445339 0.430507 Hg\n0.308584 0.554661 0.569493 Hg\n0.191416 0.554661 0.069493 Hg\n0.808584 0.445339 0.930507 Hg\n0.675116 0.978058 0.040739 Hg\n0.324884 0.021942 0.959261 Hg\n0.175116 0.021942 0.459261 Hg\n0.824884 0.978058 0.540739 Hg\n0.896409 0.854628 0.261474 B\n0.103591 0.145372 0.738526 B\n0.396409 0.145372 0.238526 B\n0.603591 0.854628 0.761474 B\n0.860488 0.692527 0.006979 I\n0.139512 0.307473 0.993021 I\n0.360488 0.307473 0.493021 I\n0.639512 0.692527 0.506979 I\n0.551757 0.657910 0.186586 I\n0.448243 0.342090 0.813414 I\n0.051757 0.342090 0.313414 I\n0.948243 0.657910 0.686586 I\n0.213529 0.805041 0.095883 O\n0.786471 0.194959 0.904117 O\n0.713529 0.194959 0.404117 O\n0.286471 0.805041 0.595883 O\n0.676217 0.263241 0.063839 O\n0.323783 0.736759 0.936161 O\n0.176217 0.736759 0.436161 O\n0.823783 0.263241 0.563839 O\n0.804365 0.777480 0.240087 F\n0.195635 0.222520 0.759913 F\n0.304365 0.222520 0.259913 F\n0.695635 0.777480 0.740087 F\n0.968164 0.870786 0.175191 F\n0.031836 0.129214 0.824809 F\n0.468164 0.129214 0.324809 F\n0.531836 0.870786 0.675191 F\n0.925217 0.715942 0.387357 F\n0.074783 0.284058 0.612643 F\n0.425217 0.284058 0.112643 F\n0.574783 0.715942 0.887357 F\n0.376634 0.941379 0.264986 F\n0.623366 0.058621 0.735014 F\n0.876634 0.058621 0.235014 F\n0.123366 0.941379 0.764986 F\n",
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{
"id": "mp-555279",
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"structure_string": "B12 S12 Br12\n1.0\n4.954436 0.000000 0.000000\n0.000000 14.687145 0.000000\n0.000000 8.083232 17.113894\nB S Br\n12 12 12\ndirect\n0.261163 0.824611 0.230966 B\n0.845870 0.247879 0.100297 B\n0.154130 0.752121 0.899703 B\n0.340119 0.612525 0.836059 B\n0.659881 0.387475 0.163941 B\n0.159881 0.612525 0.336059 B\n0.238837 0.824611 0.730966 B\n0.738837 0.175389 0.769034 B\n0.345870 0.752121 0.399703 B\n0.761163 0.175389 0.269034 B\n0.654130 0.247879 0.600297 B\n0.840119 0.387475 0.663941 B\n0.644244 0.294291 0.264227 S\n0.365956 0.860912 0.306647 S\n0.144244 0.705709 0.235773 S\n0.134044 0.860912 0.806647 S\n0.634044 0.139088 0.693353 S\n0.865956 0.139088 0.193353 S\n0.744186 0.376912 0.575767 S\n0.855756 0.294291 0.764227 S\n0.755814 0.376912 0.075767 S\n0.244186 0.623088 0.924233 S\n0.255814 0.623088 0.424233 S\n0.355756 0.705709 0.735773 S\n0.559210 0.222052 0.511621 Br\n0.726441 0.068062 0.873290 Br\n0.946239 0.520975 0.648289 Br\n0.440790 0.777948 0.488379 Br\n0.226441 0.931938 0.626710 Br\n0.940790 0.222052 0.011621 Br\n0.059210 0.777948 0.988379 Br\n0.553761 0.520975 0.148289 Br\n0.053761 0.479025 0.351711 Br\n0.773559 0.068062 0.373290 Br\n0.273559 0.931938 0.126710 Br\n0.446239 0.479025 0.851711 Br\n",
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{
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{
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}