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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182767

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-1182767
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Ba', 'U', 'Ge', 'O']
  • Chemical System: Ba-Ge-O-U
  • Density: 7.296923455237367
  • Atomic Density: 0.06512125652067348
  • Unit Cell Volume: 1597.0207817931773
  • Molar Volume: 9.247580715965153
  • Full Formula: Ba2 U22 Ge4 O76
  • Reduced Formula: BaU11(GeO19)2
  • Formula Anonymous: AB2C11D38
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -1000.63774329
  • Final energy per atom: -9.621516762403846
  • 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.