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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226258

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-1226258
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'As']
  • Chemical System: As-Cr-Fe
  • Density: 7.408423230052893
  • Atomic Density: 0.06925461507193137
  • Unit Cell Volume: 115.51576731299123
  • Molar Volume: 8.695652634478002
  • Full Formula: Cr2 Fe2 As4
  • Reduced Formula: CrFeAs2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -56.46150475
  • Final energy per atom: -7.05768809375
  • 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.