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{
"id": "mp-1172831",
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{
"id": "mp-27452",
"created_at": "2022-09-04T14:44:20.497992Z",
"structure_string": "Al4 Pd2 Cl16\n1.0\n7.641638 0.000000 0.000000\n0.000000 6.907935 0.000000\n0.000000 2.239070 13.863196\nAl Pd Cl\n4 2 16\ndirect\n0.275933 0.667402 0.100533 Al\n0.224067 0.667402 0.600533 Al\n0.724067 0.332598 0.899467 Al\n0.775933 0.332598 0.399467 Al\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.219917 0.372809 0.578360 Cl\n0.719917 0.627191 0.921640 Cl\n0.266375 0.868816 0.958503 Cl\n0.766375 0.131184 0.541497 Cl\n0.733625 0.131184 0.041497 Cl\n0.233625 0.868816 0.458503 Cl\n0.010355 0.767760 0.140928 Cl\n0.510355 0.232240 0.359072 Cl\n0.989645 0.232240 0.859072 Cl\n0.489645 0.767760 0.640928 Cl\n0.466651 0.747882 0.194771 Cl\n0.966651 0.252118 0.305229 Cl\n0.533349 0.252118 0.805229 Cl\n0.033349 0.747882 0.694771 Cl\n0.280083 0.372809 0.078360 Cl\n0.780083 0.627191 0.421640 Cl\n",
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"formula_full": "Al4 Pd2 Cl16",
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},
{
"id": "mp-680742",
"created_at": "2022-09-04T14:44:20.507209Z",
"structure_string": "Gd2 P10\n1.0\n9.516419 0.000000 0.000000\n0.000000 4.930337 0.000000\n0.000000 1.170246 5.274053\nGd P\n2 10\ndirect\n0.250000 0.988536 0.351876 Gd\n0.750000 0.011464 0.648124 Gd\n0.408293 0.381836 0.956438 P\n0.531106 0.715059 0.403616 P\n0.750000 0.277156 0.099954 P\n0.091707 0.381836 0.956438 P\n0.468894 0.284941 0.596384 P\n0.250000 0.722844 0.900046 P\n0.591707 0.618164 0.043562 P\n0.968894 0.715059 0.403616 P\n0.908293 0.618164 0.043562 P\n0.031106 0.284941 0.596384 P\n",
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"spacegroup": 11
},
{
"id": "mp-1214772",
"created_at": "2022-09-04T14:44:20.531272Z",
"structure_string": "Cs3 Se2 O8\n1.0\n5.160896 3.216923 -2.084485\n5.160896 -3.216923 -2.084485\n-0.058002 0.000000 -8.625098\nCs Se O\n3 2 8\ndirect\n0.000000 0.000000 0.000000 Cs\n0.198802 0.198802 0.388340 Cs\n0.801198 0.801198 0.611660 Cs\n0.430172 0.430172 0.767803 Se\n0.569828 0.569828 0.232197 Se\n0.301146 0.729581 0.689444 O\n0.698854 0.270419 0.310556 O\n0.270419 0.698854 0.310556 O\n0.729581 0.301146 0.689444 O\n0.387454 0.387454 0.980180 O\n0.612546 0.612546 0.019820 O\n0.288564 0.288564 0.740965 O\n0.711436 0.711436 0.259035 O\n",
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"O"
],
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"volume": 287.1691706643873,
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"formula_full": "Cs3 Se2 O8",
"formula_reduced": "Cs3(SeO4)2",
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"spacegroup": 12
},
{
"id": "mp-1097175",
"created_at": "2022-09-04T14:44:20.533407Z",
"structure_string": "Nb2 Mo1 Rh1\n1.0\n-4.511167 5.440693 7.699806\n4.511167 -5.440693 7.699806\n4.511167 5.440693 -7.699806\nNb Mo Rh\n2 1 1\ndirect\n0.000000 0.243909 0.243909 Nb\n0.000000 0.756091 0.756091 Nb\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Rh\n",
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{
"id": "mp-774316",
"created_at": "2022-09-04T14:44:20.537336Z",
"structure_string": "Mn12 O2 F22\n1.0\n5.897184 0.000000 0.000000\n0.000000 4.963211 0.000000\n0.000000 0.218215 16.225363\nMn O F\n12 2 22\ndirect\n0.832777 0.996709 0.416164 Mn\n0.166589 0.984868 0.245268 Mn\n0.855422 0.992527 0.086090 Mn\n0.833411 0.984868 0.745268 Mn\n0.144578 0.992527 0.586090 Mn\n0.167223 0.996709 0.916164 Mn\n0.689434 0.525385 0.587607 Mn\n0.670023 0.485421 0.919206 Mn\n0.665755 0.504416 0.249152 Mn\n0.310566 0.525385 0.087607 Mn\n0.329977 0.485421 0.419206 Mn\n0.334245 0.504416 0.749152 Mn\n0.912487 0.794974 0.635413 O\n0.087513 0.794974 0.135413 O\n0.891398 0.764135 0.309267 F\n0.885558 0.775872 0.976379 F\n0.114442 0.775872 0.476379 F\n0.108602 0.764135 0.809267 F\n0.605728 0.742350 0.137734 F\n0.392314 0.726400 0.308449 F\n0.607830 0.714894 0.472740 F\n0.394272 0.742350 0.637734 F\n0.607686 0.726400 0.808449 F\n0.392170 0.714894 0.972740 F\n0.627971 0.247866 0.032578 F\n0.383658 0.287753 0.193691 F\n0.606225 0.269314 0.360723 F\n0.372029 0.247866 0.532578 F\n0.393775 0.269314 0.860723 F\n0.616342 0.287753 0.693691 F\n0.879258 0.229622 0.189865 F\n0.894442 0.236879 0.523773 F\n0.110618 0.220615 0.355902 F\n0.105558 0.236879 0.023773 F\n0.889382 0.220615 0.855902 F\n0.120742 0.229622 0.689865 F\n",
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}