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"updated_at": "2021-11-28T01:36:13.308000Z",
"spacegroup": 16
},
{
"id": "mp-1521863",
"created_at": "2022-09-04T14:44:00.645309Z",
"structure_string": "Ba2 Sr2 Ce2 V2 O12\n1.0\n5.915126 -0.047941 -0.019927\n-0.051986 5.905437 -0.020823\n-0.032066 -0.032796 8.404435\nBa Sr Ce V O\n2 2 2 2 12\ndirect\n0.504558 0.514786 0.249424 Ba\n0.495442 0.485214 0.750576 Ba\n-0.000055 0.024151 0.251704 Sr\n0.000055 0.975849 0.748296 Sr\n0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.235510 0.213113 0.970017 O\n0.249008 0.704329 0.521571 O\n0.764490 0.786887 0.029983 O\n0.750992 0.295671 0.478429 O\n0.293847 0.753215 0.974434 O\n0.208327 0.230369 0.528489 O\n0.706153 0.246785 0.025566 O\n0.791673 0.769631 0.471511 O\n0.440011 0.001151 0.238622 O\n0.041407 0.480678 0.261601 O\n0.559989 0.998849 0.761378 O\n0.958593 0.519322 0.738399 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Ce",
"V",
"O"
],
"chemical_system": "Ba-Ce-O-Sr-V",
"density": 5.792524737833558,
"density_atomic": 0.06813151957168578,
"volume": 293.54988888742815,
"volume_molar": 8.838993754812261,
"formula_full": "Ba2 Sr2 Ce2 V2 O12",
"formula_reduced": "BaSrCeVO6",
"formula_anonymous": "ABCDE6",
"energy": -160.89846431,
"energy_per_atom": -8.0449232155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.25446431,
"band_gap": 1.2290000000000003,
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"updated_at": "2021-11-28T01:36:34.658000Z",
"spacegroup": 2
},
{
"id": "mp-1516327",
"created_at": "2022-09-04T14:42:59.038724Z",
"structure_string": "K1 Sr1 Tb1 W1 O6\n1.0\n-0.000000 -4.202945 -4.202945\n4.202945 -0.000000 -4.202945\n4.202945 -4.202945 0.000000\nK Sr Tb W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 -0.000000 Tb\n0.500000 0.500000 0.500000 W\n0.732283 0.267717 0.267717 O\n0.267717 0.732283 0.732283 O\n0.732283 0.267717 0.732283 O\n0.267717 0.732283 0.267717 O\n0.732283 0.732283 0.267717 O\n0.267717 0.267717 0.732283 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "K-O-Sr-Tb-W",
"density": 6.323758395822002,
"density_atomic": 0.06734554685887222,
"volume": 148.48791741131407,
"volume_molar": 8.942151398101881,
"formula_full": "K1 Sr1 Tb1 W1 O6",
"formula_reduced": "KSrTbWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.49559190000001,
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"updated_at": "2021-11-28T01:36:09.297000Z",
"spacegroup": 216
}
]
}