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{
"id": "mp-1199983",
"created_at": "2022-09-04T14:45:25.363151Z",
"structure_string": "Cu12 Mo4 H16 O32\n1.0\n6.182212 0.000000 0.000000\n0.000000 8.581465 0.000000\n0.000000 0.000000 12.833168\nCu Mo H O\n12 4 16 32\ndirect\n0.249461 0.728132 0.130659 Cu\n0.249461 0.271868 0.869341 Cu\n0.250539 0.771868 0.630659 Cu\n0.250539 0.228132 0.369341 Cu\n0.750539 0.271868 0.869341 Cu\n0.750539 0.728132 0.130659 Cu\n0.749461 0.228132 0.369341 Cu\n0.749461 0.771868 0.630659 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.876864 0.368557 Mo\n0.500000 0.123136 0.631443 Mo\n0.000000 0.623136 0.868557 Mo\n0.000000 0.376864 0.131443 Mo\n0.500000 0.632090 0.994455 H\n0.500000 0.367910 0.005545 H\n0.000000 0.867910 0.494455 H\n0.000000 0.132090 0.505545 H\n0.000000 0.850193 0.252239 H\n0.000000 0.149807 0.747761 H\n0.500000 0.649807 0.752239 H\n0.500000 0.350193 0.247761 H\n0.241819 0.033032 0.162121 H\n0.241819 0.966967 0.837879 H\n0.258181 0.466968 0.662121 H\n0.258181 0.533033 0.337879 H\n0.758181 0.966967 0.837879 H\n0.758181 0.033032 0.162121 H\n0.741819 0.533033 0.337879 H\n0.741819 0.466968 0.662121 H\n0.500000 0.724673 0.038759 O\n0.500000 0.275327 0.961241 O\n0.000000 0.775327 0.538759 O\n0.000000 0.224673 0.461241 O\n0.000000 0.745003 0.222029 O\n0.000000 0.254997 0.777971 O\n0.500000 0.754997 0.722029 O\n0.500000 0.245003 0.277971 O\n0.249675 0.967467 0.099426 O\n0.249675 0.032533 0.900574 O\n0.250325 0.532533 0.599426 O\n0.250325 0.467467 0.400574 O\n0.750325 0.032533 0.900574 O\n0.750325 0.967467 0.099426 O\n0.749675 0.467467 0.400574 O\n0.749675 0.532533 0.599426 O\n0.500000 0.731926 0.268299 O\n0.500000 0.268074 0.731701 O\n0.000000 0.768074 0.768299 O\n0.000000 0.231926 0.231701 O\n0.258467 0.994095 0.356674 O\n0.258467 0.005905 0.643326 O\n0.241533 0.505905 0.856674 O\n0.241533 0.494095 0.143326 O\n0.741533 0.005905 0.643326 O\n0.741533 0.994095 0.356674 O\n0.758467 0.494095 0.143326 O\n0.758467 0.505905 0.856674 O\n0.500000 0.777401 0.492000 O\n0.500000 0.222599 0.508000 O\n0.000000 0.722599 0.992000 O\n0.000000 0.277401 0.008000 O\n",
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],
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"density": 4.083892011669392,
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"volume": 680.8308227213744,
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"formula_full": "Cu12 Mo4 H16 O32",
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"spacegroup": 58
},
{
"id": "mp-674326",
"created_at": "2022-09-04T14:45:25.371490Z",
"structure_string": "K20 Nb10 Cl30\n1.0\n7.289030 0.603702 -0.499458\n0.377722 7.545136 -0.055156\n-2.902367 -0.370516 41.440676\nK Nb Cl\n20 10 30\ndirect\n0.197190 0.112141 0.172726 K\n0.944032 0.012135 0.556995 K\n0.036128 0.063320 0.357942 K\n-0.004404 0.008074 0.758176 K\n0.950018 0.969976 0.956655 K\n0.537609 0.518806 0.052638 K\n0.608627 0.566447 0.253268 K\n0.466458 0.534475 0.434609 K\n0.600956 0.529250 0.650947 K\n0.514336 0.497549 0.845672 K\n0.458497 0.497154 0.159044 K\n0.307457 0.452390 0.322507 K\n0.531083 0.567064 0.545160 K\n0.611202 0.514130 0.746478 K\n0.568145 0.527807 0.949196 K\n0.951066 0.018543 0.062393 K\n0.011530 0.096532 0.259498 K\n0.023316 0.095140 0.446632 K\n0.954338 0.002940 0.652440 K\n0.981083 0.977739 0.855519 K\n0.476342 0.040113 -0.000433 Nb\n0.718244 0.002545 0.154290 Nb\n0.588492 0.826572 0.356980 Nb\n0.444928 0.015399 0.605137 Nb\n0.496231 0.988360 0.789693 Nb\n0.973856 0.479561 0.114058 Nb\n0.778264 0.553086 0.359037 Nb\n0.011312 0.521985 0.504687 Nb\n0.107822 0.505712 0.728131 Nb\n0.035263 0.470908 0.913471 Nb\n0.254441 0.681653 0.897781 Cl\n0.300758 0.877030 0.034994 Cl\n0.342585 0.934583 0.308985 Cl\n0.369842 0.885976 0.400287 Cl\n0.358844 0.986224 0.544079 Cl\n0.366159 0.893294 0.655061 Cl\n0.248031 0.172058 0.816276 Cl\n0.263047 0.235668 0.954387 Cl\n0.743403 0.250466 0.113666 Cl\n0.777621 0.330951 0.309598 Cl\n0.799460 0.290228 0.500276 Cl\n0.786798 0.256577 0.903706 Cl\n0.878028 0.290498 0.703152 Cl\n0.745167 0.231224 0.199916 Cl\n0.730184 0.246727 0.002318 Cl\n0.658477 0.250025 0.595703 Cl\n0.688044 0.302403 0.390601 Cl\n0.716332 0.225699 0.800726 Cl\n0.664832 0.780421 0.195446 Cl\n0.737122 0.777806 0.009103 Cl\n0.743623 0.767997 0.601700 Cl\n0.848486 0.786113 0.403909 Cl\n0.777458 0.754537 0.798004 Cl\n0.768624 0.776189 0.109243 Cl\n0.844040 0.786786 0.317634 Cl\n0.856151 0.819568 0.491818 Cl\n0.860010 0.748741 0.703995 Cl\n0.774948 0.723560 0.897719 Cl\n0.253772 0.378564 0.235146 Cl\n0.148296 0.408582 0.386338 Cl\n",
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"volume": 2258.731659004889,
"volume_molar": 22.67066664932627,
"formula_full": "K20 Nb10 Cl30",
"formula_reduced": "K2NbCl3",
"formula_anonymous": "AB2C3",
"energy": -253.53177196,
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},
{
"id": "mp-1025575",
"created_at": "2022-09-04T14:45:25.382998Z",
"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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"density_atomic": 0.030621015153091524,
"volume": 293.91579459413686,
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"formula_full": "Mo1 W2 Se6",
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"energy": -65.92434675,
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{
"id": "mp-1195234",
"created_at": "2022-09-04T14:45:25.394996Z",
"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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{
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"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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{
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{
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{
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