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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213780

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-1213780
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'C']
  • Chemical System: C-Cr-Fe
  • Density: 7.206753462206848
  • Atomic Density: 0.09866189222919777
  • Unit Cell Volume: 293.9331422169684
  • Molar Volume: 6.103816401585111
  • Full Formula: Cr21 Fe2 C6
  • Reduced Formula: Cr21(FeC3)2
  • Formula Anonymous: A2B6C21
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -276.44349717
  • Final energy per atom: -9.532534385172413
  • 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.