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  1. Third-Parties
  2. MatprojStructure
  3. mp-31042

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-31042
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'Bi']
  • Chemical System: Bi-Ca-Mn
  • Density: 6.062554108387934
  • Atomic Density: 0.032633870070764535
  • Unit Cell Volume: 1348.2924306736747
  • Molar Volume: 18.453651825362297
  • Full Formula: Ca18 Mn8 Bi18
  • Reduced Formula: Ca9Mn4Bi9
  • Formula Anonymous: A4B9C9
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -202.29151005
  • Final energy per atom: -4.597534319318182
  • 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.