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  1. Third-Parties
  2. MatprojStructure
  3. mp-5611

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-5611
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Ba', 'U', 'O']
  • Chemical System: Ba-O-U
  • Density: 7.279434147218955
  • Atomic Density: 0.05986674890047313
  • Unit Cell Volume: 400.8903179275587
  • Molar Volume: 10.059241349503793
  • Full Formula: Ba4 U4 O16
  • Reduced Formula: BaUO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -220.04307939
  • Final energy per atom: -9.16846164125
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.