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  1. Third-Parties
  2. MatprojStructure
  3. mp-18735

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-18735
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Ba', 'Co', 'B', 'O']
  • Chemical System: B-Ba-Co-O
  • Density: 3.888347325129648
  • Atomic Density: 0.0832827519474731
  • Unit Cell Volume: 504.3061020184544
  • Molar Volume: 7.2309579344810775
  • Full Formula: Ba4 Co2 B12 O24
  • Reduced Formula: Ba2Co(BO2)6
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -341.18102757
  • Final energy per atom: -8.123357799285715
  • 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.