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"structure_string": "Ba2 Tb2 Nb2 Sn2 O12\n1.0\n5.949766 0.032711 -0.005394\n0.035005 5.986743 0.017059\n-0.006373 0.025955 8.498745\nBa Tb Nb Sn O\n2 2 2 2 12\ndirect\n0.995037 0.020322 0.250837 Ba\n0.004963 0.979678 0.749163 Ba\n0.500000 0.000000 -0.000000 Tb\n-0.000000 0.500000 0.500000 Tb\n-0.000000 0.500000 -0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.497007 0.515891 0.252483 Sn\n0.502993 0.484109 0.747517 Sn\n0.196456 0.229307 0.972092 O\n0.304821 0.724562 0.543298 O\n0.803544 0.770693 0.027908 O\n0.695179 0.275438 0.456702 O\n0.267788 0.699372 0.950707 O\n0.227182 0.198094 0.521918 O\n0.732212 0.300628 0.049293 O\n0.772818 0.801906 0.478082 O\n0.444551 0.971954 0.265424 O\n0.090486 0.501461 0.234970 O\n0.555449 0.028046 0.734576 O\n0.909514 0.498539 0.765030 O\n",
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"elements": [
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],
"chemical_system": "Ba-Nb-O-Sn-Tb",
"density": 6.625090177422724,
"density_atomic": 0.06606976231583475,
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"volume_molar": 9.114821287251234,
"formula_full": "Ba2 Tb2 Nb2 Sn2 O12",
"formula_reduced": "BaTbNbSnO6",
"formula_anonymous": "ABCDE6",
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"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:36:46.052000Z",
"spacegroup": 2
},
{
"id": "mp-1520083",
"created_at": "2022-09-04T14:42:28.087879Z",
"structure_string": "Sr1 Ca1 Mn1 W1 O6\n1.0\n-0.000000 -4.057187 -4.057187\n4.057187 0.000000 -4.057187\n4.057187 -4.057187 -0.000000\nSr Ca Mn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.739079 0.260921 0.260921 O\n0.260921 0.739079 0.739079 O\n0.739079 0.260921 0.739079 O\n0.260921 0.739079 0.260921 O\n0.739079 0.739079 0.260921 O\n0.260921 0.260921 0.739079 O\n",
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],
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"density": 5.749497477680616,
"density_atomic": 0.07486777535864442,
"volume": 133.56881451460646,
"volume_molar": 8.043702021532912,
"formula_full": "Sr1 Ca1 Mn1 W1 O6",
"formula_reduced": "SrCaMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -82.25464036999998,
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"updated_at": "2021-11-28T01:35:54.552000Z",
"spacegroup": 216
},
{
"id": "mp-1519950",
"created_at": "2022-09-04T14:44:55.589557Z",
"structure_string": "K1 La1 Pr1 Sb1 O6\n1.0\n0.000000 -4.291730 -4.291730\n4.291730 -0.000000 -4.291730\n4.291730 -4.291730 0.000000\nK La Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n-0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.731776 0.268224 0.268224 O\n0.268224 0.731776 0.731776 O\n0.731776 0.268224 0.731776 O\n0.268224 0.731776 0.268224 O\n0.731776 0.731776 0.268224 O\n0.268224 0.268224 0.731776 O\n",
"nsites": 10,
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"elements": [
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"O"
],
"chemical_system": "K-La-O-Pr-Sb",
"density": 5.636733219063761,
"density_atomic": 0.06325179117969217,
"volume": 158.09828960560145,
"volume_molar": 9.520901539201768,
"formula_full": "K1 La1 Pr1 Sb1 O6",
"formula_reduced": "KLaPrSbO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:36:40.994000Z",
"spacegroup": 216
}
]
}