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  1. Third-Parties
  2. MatprojStructure
  3. mp-984553

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-984553
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['B', 'Os', 'O']
  • Chemical System: B-O-Os
  • Density: 10.45298164634174
  • Atomic Density: 0.12638437414214396
  • Unit Cell Volume: 39.56185275227554
  • Molar Volume: 4.764940920011934
  • Full Formula: B1 Os1 O3
  • Reduced Formula: BOsO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -33.87282032
  • Final energy per atom: -6.774564064000001
  • 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.