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{
"id": "mp-1041225",
"created_at": "2022-09-04T14:44:04.951017Z",
"structure_string": "Ho2 Cr4 O12\n1.0\n5.118403 0.000000 0.000000\n0.000000 5.453247 0.000000\n0.000000 0.000000 7.441398\nHo Cr O\n2 4 12\ndirect\n0.016785 0.662010 0.000000 Ho\n0.516785 0.337990 0.500000 Ho\n0.023536 0.220617 0.755751 Cr\n0.023536 0.220617 0.244249 Cr\n0.523536 0.779383 0.255751 Cr\n0.523536 0.779383 0.744249 Cr\n0.095004 0.221982 0.500000 O\n0.194534 0.939200 0.805209 O\n0.194534 0.939200 0.194791 O\n0.278622 0.456290 0.788274 O\n0.278622 0.456290 0.211726 O\n0.415108 0.739518 0.500000 O\n0.595004 0.778018 0.000000 O\n0.694534 0.060800 0.305209 O\n0.694534 0.060800 0.694791 O\n0.778622 0.543710 0.711726 O\n0.778622 0.543710 0.288274 O\n0.915108 0.260482 0.000000 O\n",
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{
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"structure_string": "Nb4 Cr4 P4\n1.0\n3.543152 0.000000 0.000000\n0.000000 6.287151 0.000000\n0.000000 0.000000 7.406782\nNb Cr P\n4 4 4\ndirect\n0.250000 0.031241 0.827601 Nb\n0.250000 0.531241 0.672399 Nb\n0.750000 0.468759 0.327601 Nb\n0.750000 0.968759 0.172399 Nb\n0.750000 0.857365 0.559553 Cr\n0.250000 0.642635 0.059553 Cr\n0.750000 0.357365 0.940447 Cr\n0.250000 0.142635 0.440447 Cr\n0.250000 0.769994 0.368525 P\n0.250000 0.269994 0.131475 P\n0.750000 0.230006 0.631475 P\n0.750000 0.730006 0.868525 P\n",
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"formula_full": "Nb4 Cr4 P4",
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{
"id": "mp-1184764",
"created_at": "2022-09-04T14:44:05.048252Z",
"structure_string": "K3\n1.0\n11.247526 -2.394394 0.000000\n11.247526 2.394394 0.000000\n10.737803 0.000000 4.115769\nK\n3\ndirect\n0.000000 0.000000 0.000000 K\n0.777748 0.777748 0.777748 K\n0.222252 0.222252 0.222252 K\n",
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"spacegroup": 166
},
{
"id": "mp-1094771",
"created_at": "2022-09-04T14:44:04.279989Z",
"structure_string": "Mg1 Cd3\n1.0\n-2.274842 2.274842 4.278637\n2.274842 -2.274842 4.278637\n2.274842 2.274842 -4.278637\nMg Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cd\n0.250000 0.750000 0.500000 Cd\n0.750000 0.250000 0.500000 Cd\n",
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"formula_full": "Mg1 Cd3",
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"spacegroup": 139
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{
"id": "mp-1079796",
"created_at": "2022-09-04T14:44:04.289939Z",
"structure_string": "Ti6 Pd2\n1.0\n5.062402 0.000000 0.000000\n0.000000 5.062402 0.000000\n0.000000 0.000000 5.062402\nTi Pd\n6 2\ndirect\n0.000000 0.500000 0.750000 Ti\n0.500000 0.250000 0.000000 Ti\n0.750000 0.000000 0.500000 Ti\n0.000000 0.500000 0.250000 Ti\n0.500000 0.750000 0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Ti6 Pd2",
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"updated_at": "2021-11-28T01:36:24.341000Z",
"spacegroup": 223
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{
"id": "mp-605028",
"created_at": "2022-09-04T14:44:04.347831Z",
"structure_string": "Te4 Pd6 Pb4\n1.0\n6.055175 0.000000 0.000000\n0.000000 6.522325 0.000000\n0.000000 0.000000 8.784933\nTe Pd Pb\n4 6 4\ndirect\n0.000000 0.326719 0.291036 Te\n0.500000 0.673281 0.791036 Te\n0.000000 0.326719 0.708964 Te\n0.500000 0.673281 0.208964 Te\n0.750000 0.000000 0.250000 Pd\n0.500000 0.784387 0.500000 Pd\n0.750000 0.000000 0.750000 Pd\n0.250000 0.000000 0.250000 Pd\n0.250000 0.000000 0.750000 Pd\n0.000000 0.215613 0.000000 Pd\n0.000000 0.743883 0.000000 Pb\n0.500000 0.256117 0.500000 Pb\n0.000000 0.804566 0.500000 Pb\n0.500000 0.195434 0.000000 Pb\n",
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"Pb"
],
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"density": 9.46556004339004,
"density_atomic": 0.04035157098199731,
"volume": 346.9505563053801,
"volume_molar": 14.924179191652174,
"formula_full": "Te4 Pd6 Pb4",
"formula_reduced": "Te2Pd3Pb2",
"formula_anonymous": "A2B2C3",
"energy": -63.84847958,
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{
"id": "mp-1218599",
"created_at": "2022-09-04T14:44:04.991974Z",
"structure_string": "Sr6 Pr3 Cu6 O17\n1.0\n-1.897150 5.786366 10.161182\n1.897150 -5.786366 10.161182\n1.897150 5.786366 -10.161182\nSr Pr Cu O\n6 3 6 17\ndirect\n0.143382 0.824049 0.324926 Sr\n0.856618 0.181544 0.680667 Sr\n0.500877 0.181544 0.324926 Sr\n0.499123 0.824049 0.680667 Sr\n0.802740 0.801753 0.999013 Sr\n0.197260 0.196273 0.999013 Sr\n0.000000 0.002820 0.002820 Pr\n0.296451 0.983433 0.279884 Pr\n0.703549 0.983433 0.686982 Pr\n0.750592 0.396197 0.352301 Cu\n0.249408 0.601709 0.645605 Cu\n0.956104 0.601709 0.352301 Cu\n0.043896 0.396197 0.645605 Cu\n0.413936 0.457679 0.043743 Cu\n0.586064 0.629807 0.043743 Cu\n0.862918 0.501804 0.364722 O\n0.137082 0.501804 0.638886 O\n0.048968 0.906226 0.141202 O\n0.951032 0.092233 0.857258 O\n0.234976 0.092233 0.141202 O\n0.765024 0.906226 0.857258 O\n0.743000 0.576628 0.157223 O\n0.257000 0.414223 0.833628 O\n0.580595 0.414223 0.157223 O\n0.419405 0.576628 0.833628 O\n0.319769 0.307971 0.988202 O\n0.680231 0.668433 0.988202 O\n0.642039 0.298184 0.341858 O\n0.357961 0.699819 0.656146 O\n0.043673 0.699819 0.341858 O\n0.956327 0.298184 0.656146 O\n0.500000 0.778166 0.278166 O\n",
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"formula_full": "Sr6 Pr3 Cu6 O17",
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"energy": -211.37408887,
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}
]
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