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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226337

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-1226337
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'B']
  • Chemical System: B-Cr-Fe
  • Density: 6.718115179337441
  • Atomic Density: 0.10996185919170515
  • Unit Cell Volume: 145.50499707453966
  • Molar Volume: 5.476572335414163
  • Full Formula: Cr9 Fe1 B6
  • Reduced Formula: Cr9FeB6
  • Formula Anonymous: AB6C9
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -141.88558038
  • Final energy per atom: -8.86784877375
  • 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.