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{
"id": "mp-1193896",
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"structure_string": "Ba8 H16 Pd4\n1.0\n5.813476 0.000000 0.000000\n0.000000 8.143315 0.000000\n0.000000 0.000000 10.284889\nBa H Pd\n8 16 4\ndirect\n0.250000 0.853293 0.405405 Ba\n0.250000 0.353293 0.094595 Ba\n0.750000 0.146707 0.594595 Ba\n0.750000 0.646707 0.905405 Ba\n0.250000 0.010900 0.832660 Ba\n0.250000 0.510900 0.667340 Ba\n0.750000 0.989100 0.167340 Ba\n0.750000 0.489100 0.332660 Ba\n0.250000 0.174600 0.579575 H\n0.250000 0.674600 0.920425 H\n0.750000 0.825400 0.420425 H\n0.750000 0.325400 0.079575 H\n0.250000 0.476013 0.392347 H\n0.250000 0.976013 0.107653 H\n0.750000 0.523987 0.607653 H\n0.750000 0.023987 0.892347 H\n0.993987 0.179262 0.344453 H\n0.506013 0.679262 0.155547 H\n0.493987 0.820738 0.655547 H\n0.006013 0.320738 0.844453 H\n0.006013 0.820738 0.655547 H\n0.493987 0.320738 0.844453 H\n0.506013 0.179262 0.344453 H\n0.993987 0.679262 0.155547 H\n0.250000 0.258385 0.417480 Pd\n0.250000 0.758385 0.082520 Pd\n0.750000 0.741615 0.582520 Pd\n0.750000 0.241615 0.917480 Pd\n",
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{
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{
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"structure_string": "H16 W6 Se2 N4 O24\n1.0\n3.673768 -6.363153 0.000000\n3.673768 6.363153 0.000000\n0.000000 0.000000 12.594302\nH W Se N O\n16 6 2 4 24\ndirect\n0.666667 0.333333 0.151564 H\n0.255014 0.511666 0.150292 H\n0.743347 0.255014 0.650292 H\n0.511666 0.256653 0.650292 H\n0.333333 0.666667 0.651564 H\n0.666667 0.333333 0.541290 H\n0.333333 0.666667 0.041290 H\n0.400794 0.819313 0.762216 H\n0.581481 0.400794 0.262216 H\n0.488334 0.743347 0.150292 H\n0.819313 0.418519 0.262216 H\n0.418519 0.599206 0.762216 H\n0.599206 0.180687 0.262216 H\n0.744986 0.488334 0.650292 H\n0.256653 0.744986 0.150292 H\n0.180687 0.581481 0.762216 H\n0.661092 0.825771 0.394043 W\n0.825771 0.164680 0.894043 W\n0.835320 0.661092 0.894043 W\n0.164680 0.338908 0.394043 W\n0.338908 0.174229 0.894043 W\n0.174229 0.835320 0.394043 W\n0.000000 0.000000 0.665116 Se\n0.000000 0.000000 0.165116 Se\n0.666667 0.333333 0.233892 N\n0.333333 0.666667 0.733892 N\n0.666667 0.333333 0.622653 N\n0.333333 0.666667 0.122653 N\n0.791900 0.196590 0.029852 O\n0.208100 0.803410 0.529852 O\n0.803410 0.595310 0.029852 O\n0.595310 0.791900 0.529852 O\n0.540033 0.084622 0.848204 O\n0.455411 0.540033 0.348204 O\n0.404690 0.208100 0.029852 O\n0.915378 0.455411 0.848204 O\n0.544589 0.459967 0.848204 O\n0.459967 0.915378 0.348204 O\n0.249097 0.128702 0.723815 O\n0.120394 0.249097 0.223815 O\n0.128702 0.879606 0.223815 O\n0.871298 0.120394 0.723815 O\n0.879606 0.750903 0.723815 O\n0.750903 0.871298 0.223815 O\n0.084622 0.544589 0.348204 O\n0.873403 0.121968 0.404272 O\n0.751435 0.873403 0.904272 O\n0.121968 0.248565 0.904272 O\n0.878032 0.751435 0.404272 O\n0.248565 0.126597 0.404272 O\n0.126597 0.878032 0.904272 O\n0.196590 0.404690 0.529852 O\n",
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"elements": [
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"volume_molar": 6.819236463606356,
"formula_full": "H16 W6 Se2 N4 O24",
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"spacegroup": 173
},
{
"id": "mp-1183010",
"created_at": "2022-09-04T14:47:18.141537Z",
"structure_string": "Ag1 C8 S4 N4 Cl1\n1.0\n0.000000 0.000000 -5.111396\n-6.826357 -6.826357 -2.555698\n-6.826357 6.826357 -2.555698\nAg C S N Cl\n1 8 4 4 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.547972 0.322015 0.193719 C\n0.063707 0.677985 0.806281 C\n0.130013 0.806281 0.322015 C\n0.258308 0.193719 0.677985 C\n0.571168 0.309753 0.060007 C\n0.940927 0.690247 0.939993 C\n0.119079 0.939993 0.309753 C\n0.368826 0.060007 0.690247 C\n0.684079 0.238969 0.913510 S\n0.836558 0.761031 0.086490 S\n0.076952 0.086490 0.238969 S\n0.402411 0.913510 0.761031 S\n0.559241 0.313635 0.313026 N\n0.185903 0.686365 0.686974 N\n0.127123 0.686974 0.313635 N\n0.127733 0.313026 0.686365 N\n0.250000 0.500000 0.500000 Cl\n",
"nsites": 18,
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"elements": [
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"formula_full": "Ag1 C8 S4 N4 Cl1",
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{
"id": "mp-1204322",
"created_at": "2022-09-04T14:47:10.764084Z",
"structure_string": "Ni2 P2 H30 O22\n1.0\n6.125397 0.000000 0.000000\n0.000000 7.124370 0.000000\n0.000000 0.000000 11.313138\nNi P H O\n2 2 30 22\ndirect\n0.382632 0.000000 0.596385 Ni\n0.617368 0.500000 0.096385 Ni\n0.003088 0.500000 0.730126 P\n0.996912 0.000000 0.230126 P\n0.828118 0.000000 0.558443 H\n0.171882 0.500000 0.058443 H\n0.718934 0.000000 0.428197 H\n0.281066 0.500000 0.928197 H\n0.008082 0.112726 0.715361 H\n0.008082 0.887274 0.715361 H\n0.991918 0.387274 0.215361 H\n0.991918 0.612726 0.215361 H\n0.385143 0.314845 0.734032 H\n0.385143 0.685155 0.734032 H\n0.614857 0.185155 0.234032 H\n0.614857 0.814845 0.234032 H\n0.632315 0.251022 0.717857 H\n0.632315 0.748978 0.717857 H\n0.367685 0.248978 0.217857 H\n0.367685 0.751022 0.217857 H\n0.215056 0.194726 0.403111 H\n0.215056 0.805274 0.403111 H\n0.784944 0.305274 0.903111 H\n0.784944 0.694726 0.903111 H\n0.182753 0.307846 0.523116 H\n0.182753 0.692154 0.523116 H\n0.817247 0.192154 0.023116 H\n0.817247 0.807846 0.023116 H\n0.866663 0.500000 0.545029 H\n0.133337 0.000000 0.045029 H\n0.554375 0.389684 0.472111 H\n0.554375 0.610316 0.472111 H\n0.445625 0.110316 0.972111 H\n0.445625 0.889684 0.972111 H\n0.688305 0.000000 0.514386 O\n0.311695 0.500000 0.014386 O\n0.052252 0.000000 0.668341 O\n0.947748 0.500000 0.168341 O\n0.479485 0.206837 0.709512 O\n0.479485 0.793163 0.709512 O\n0.520515 0.293163 0.209512 O\n0.520515 0.706837 0.209512 O\n0.281024 0.217855 0.483455 O\n0.281024 0.782145 0.483455 O\n0.718976 0.282145 0.983455 O\n0.718976 0.717855 0.983455 O\n0.019136 0.500000 0.586037 O\n0.980864 0.000000 0.086037 O\n0.239905 0.500000 0.773818 O\n0.760095 0.000000 0.273818 O\n0.882215 0.680315 0.766483 O\n0.882215 0.319685 0.766483 O\n0.117785 0.819685 0.266483 O\n0.117785 0.180315 0.266483 O\n0.649181 0.500000 0.481092 O\n0.350819 0.000000 0.981092 O\n",
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{
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"structure_string": "Tm1 Rh3 C1\n1.0\n4.162326 0.000000 0.000000\n0.000000 4.162326 0.000000\n0.000000 0.000000 4.162326\nTm Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
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{
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"structure_string": "Rb4 B12 O20\n1.0\n6.527625 0.000000 0.000000\n0.000000 8.537792 0.000000\n0.000000 0.000000 8.798480\nRb B O\n4 12 20\ndirect\n0.363200 0.656377 0.106581 Rb\n0.863200 0.843623 0.893419 Rb\n0.636800 0.156377 0.393419 Rb\n0.136800 0.343623 0.606581 Rb\n0.876582 0.789084 0.298951 B\n0.376582 0.710916 0.701049 B\n0.123418 0.289084 0.201049 B\n0.623418 0.210916 0.798951 B\n0.128433 0.000496 0.245895 B\n0.628433 0.499504 0.754105 B\n0.786612 0.616781 0.507532 B\n0.286612 0.883219 0.492468 B\n0.213388 0.116781 0.992468 B\n0.713388 0.383219 0.007532 B\n0.871567 0.500496 0.254105 B\n0.371567 0.999504 0.745895 B\n0.790372 0.490664 0.411634 O\n0.915040 0.938594 0.247944 O\n0.584960 0.061406 0.747944 O\n0.415040 0.561406 0.752056 O\n0.758696 0.602955 0.660841 O\n0.258696 0.897045 0.339159 O\n0.241304 0.102955 0.839159 O\n0.741304 0.397045 0.160841 O\n0.672287 0.232202 0.952037 O\n0.172287 0.267798 0.047963 O\n0.327713 0.732202 0.547963 O\n0.827713 0.767798 0.452037 O\n0.209628 0.990664 0.088366 O\n0.709628 0.509336 0.911634 O\n0.875612 0.665023 0.199584 O\n0.375612 0.834977 0.800416 O\n0.124388 0.165023 0.300416 O\n0.624388 0.334977 0.699584 O\n0.084960 0.438594 0.252056 O\n0.290372 0.009336 0.588366 O\n",
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{
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{
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{
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{
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"formula_full": "Cs2 Na1 Ce1 Cl6",
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{
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