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{
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"structure_string": "Ba6 La4 Cl24\n1.0\n9.318741 0.000000 0.000000\n-0.740178 10.072002 0.000000\n-3.670726 -5.155194 11.665988\nBa La Cl\n6 4 24\ndirect\n0.411807 0.230260 0.632598 Ba\n0.005454 0.693077 0.207212 Ba\n0.382347 0.787145 0.970536 Ba\n0.617653 0.212855 0.029464 Ba\n0.994546 0.306923 0.792788 Ba\n0.588193 0.769740 0.367402 Ba\n0.790447 0.771088 0.796096 La\n0.209896 0.720471 0.576553 La\n0.790104 0.279529 0.423447 La\n0.209553 0.228912 0.203904 La\n0.664710 0.327462 0.797433 Cl\n0.766937 0.544585 0.986408 Cl\n0.535144 0.763933 0.610707 Cl\n0.613133 0.937230 0.838249 Cl\n0.302446 0.570363 0.465201 Cl\n0.966413 0.148993 0.052999 Cl\n0.055333 0.352210 0.298469 Cl\n0.201087 0.951645 0.365919 Cl\n0.325028 0.118362 0.869740 Cl\n0.300493 0.478806 0.769910 Cl\n0.236882 0.913356 0.681636 Cl\n0.066522 0.299261 0.581648 Cl\n0.933478 0.700739 0.418352 Cl\n0.763118 0.086644 0.318364 Cl\n0.699507 0.521194 0.230090 Cl\n0.674972 0.881638 0.130260 Cl\n0.798913 0.048355 0.634081 Cl\n0.944667 0.647790 0.701531 Cl\n0.033587 0.851007 0.947001 Cl\n0.697554 0.429637 0.534799 Cl\n0.386867 0.062770 0.161751 Cl\n0.464856 0.236067 0.389293 Cl\n0.233063 0.455415 0.013592 Cl\n0.335290 0.672538 0.202567 Cl\n",
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"elements": [
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],
"chemical_system": "Ba-Cl-La",
"density": 3.382580683094466,
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"volume": 1094.9507113247612,
"volume_molar": 19.393962673117166,
"formula_full": "Ba6 La4 Cl24",
"formula_reduced": "Ba3La2Cl12",
"formula_anonymous": "A2B3C12",
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"updated_at": "2021-11-28T01:36:06.850000Z",
"spacegroup": 2
},
{
"id": "mp-1112999",
"created_at": "2022-09-04T14:41:51.591529Z",
"structure_string": "Cs2 Li1 Tl1 Cl6\n1.0\n0.000000 5.301044 5.301044\n5.301044 0.000000 5.301044\n5.301044 5.301044 0.000000\nCs Li Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.750922 0.249078 0.249078 Cl\n0.249078 0.249078 0.750922 Cl\n0.249078 0.750922 0.750922 Cl\n0.249078 0.750922 0.249078 Cl\n0.750922 0.249078 0.750922 Cl\n0.750922 0.750922 0.249078 Cl\n",
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"elements": [
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],
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"density_atomic": 0.0335649324387502,
"volume": 297.92999042224056,
"volume_molar": 17.941763389481846,
"formula_full": "Cs2 Li1 Tl1 Cl6",
"formula_reduced": "Cs2LiTlCl6",
"formula_anonymous": "ABC2D6",
"energy": -35.42311039,
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"updated_at": "2021-11-28T01:35:27.472000Z",
"spacegroup": 225
},
{
"id": "mp-19021",
"created_at": "2022-09-04T14:48:23.103660Z",
"structure_string": "Ba2 Co4 P4 O16\n1.0\n-2.116361 -4.198625 1.379744\n4.555234 -0.063919 15.538951\n-4.706188 -0.044533 1.371040\nBa Co P O\n2 4 4 16\ndirect\n0.999908 0.500114 0.500069 Ba\n0.999776 0.999769 0.000257 Ba\n0.830511 0.754757 0.584896 Co\n0.168844 0.245554 0.414915 Co\n0.832183 0.254096 0.085998 Co\n0.169561 0.745231 0.915022 Co\n0.426585 0.859395 0.286960 P\n0.426880 0.359674 0.786541 P\n0.573421 0.640646 0.213001 P\n0.573200 0.140392 0.713670 P\n0.362401 0.955429 0.318805 O\n0.362880 0.455716 0.817531 O\n0.636962 0.544627 0.181468 O\n0.635900 0.044341 0.682387 O\n0.562363 0.672610 0.522242 O\n0.563588 0.172600 0.021454 O\n0.243356 0.672479 0.233661 O\n0.242603 0.172415 0.734824 O\n0.437852 0.827460 0.977575 O\n0.438770 0.327542 0.476370 O\n0.148579 0.827916 0.585754 O\n0.148924 0.328144 0.084411 O\n0.851629 0.672044 0.914156 O\n0.850894 0.171667 0.414756 O\n0.756742 0.827696 0.266197 O\n0.755688 0.327685 0.767084 O\n",
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"density_atomic": 0.07848101034495679,
"volume": 331.2903323456101,
"volume_molar": 7.6733731300478665,
"formula_full": "Ba2 Co4 P4 O16",
"formula_reduced": "BaCo2(PO4)2",
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"updated_at": "2021-11-28T01:39:09Z",
"spacegroup": 148
}
]
}