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  1. Third-Parties
  2. MatprojStructure
  3. mp-995434

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-995434
  • 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: 16
  • Number of elements: 3
  • Element list: ['Fe', 'Mo', 'C']
  • Chemical System: C-Fe-Mo
  • Density: 7.603842739598413
  • Atomic Density: 0.0966219215397633
  • Unit Cell Volume: 165.59389158303418
  • Molar Volume: 6.23268577568257
  • Full Formula: Fe11 Mo1 C4
  • Reduced Formula: Fe11MoC4
  • Formula Anonymous: AB4C11
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -137.80522663
  • Final energy per atom: -8.612826664375
  • 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.