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  1. Third-Parties
  2. MatprojStructure
  3. mp-647805

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-647805
  • 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: 48
  • Number of elements: 4
  • Element list: ['Ce', 'Fe', 'Bi', 'C']
  • Chemical System: Bi-C-Ce-Fe
  • Density: 7.923558148656938
  • Atomic Density: 0.04584306929836128
  • Unit Cell Volume: 1047.0503117407068
  • Molar Volume: 13.136425750217533
  • Full Formula: Ce21 Fe8 Bi7 C12
  • Reduced Formula: Ce21Fe8Bi7C12
  • Formula Anonymous: A7B8C12D21
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -351.4601994
  • Final energy per atom: -7.3220874875
  • 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.