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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227633

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-1227633
  • 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: 62
  • Number of elements: 4
  • Element list: ['Be', 'Bi', 'Rh', 'O']
  • Chemical System: Be-Bi-O-Rh
  • Density: 7.157619000276161
  • Atomic Density: 0.09214389276468683
  • Unit Cell Volume: 672.8606545670148
  • Molar Volume: 6.535583183335967
  • Full Formula: Be6 Bi2 Rh18 O36
  • Reduced Formula: Be3Bi(RhO2)9
  • Formula Anonymous: AB3C9D18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -435.02502392
  • Final energy per atom: -7.016532643870968
  • 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.