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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222106

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-1222106
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Mn', 'B', 'C']
  • Chemical System: B-C-Mn
  • Density: 7.725718740265968
  • Atomic Density: 0.10129091241847317
  • Unit Cell Volume: 286.30406526687636
  • Molar Volume: 5.945390969646057
  • Full Formula: Mn23 B3 C3
  • Reduced Formula: Mn23(BC)3
  • Formula Anonymous: A3B3C23
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -263.14889117
  • Final energy per atom: -9.074099695517242
  • 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.