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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213524

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-1213524
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Er', 'Fe', 'C', 'N', 'O']
  • Chemical System: C-Er-Fe-N-O
  • Density: 2.366407003920002
  • Atomic Density: 0.05896400292366711
  • Unit Cell Volume: 644.4609951124514
  • Molar Volume: 10.213249544465407
  • Full Formula: Er2 Fe2 C12 N12 O10
  • Reduced Formula: ErFeC6N6O5
  • Formula Anonymous: ABC5D6E6
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -272.42526953
  • Final energy per atom: -7.169086040263157
  • 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.