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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222681

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-1222681
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Fe', 'As']
  • Chemical System: As-Cr-Fe-Li
  • Density: 4.769055478422574
  • Atomic Density: 0.06345394857882192
  • Unit Cell Volume: 94.55676335960173
  • Molar Volume: 9.49056897935887
  • Full Formula: Li2 Cr1 Fe1 As2
  • Reduced Formula: Li2CrFeAs2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -32.9644709
  • Final energy per atom: -5.494078483333333
  • 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.