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  1. Third-Parties
  2. MatprojStructure
  3. mp-548598

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-548598
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['U', 'Bi', 'O']
  • Chemical System: Bi-O-U
  • Density: 9.729638349116847
  • Atomic Density: 0.07012619758664401
  • Unit Cell Volume: 128.34005421269424
  • Molar Volume: 8.587576351276397
  • Full Formula: U1 Bi2 O6
  • Reduced Formula: U(BiO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -71.37611732
  • Final energy per atom: -7.930679702222223
  • 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.