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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223264

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-1223264
  • 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: 8
  • Number of elements: 5
  • Element list: ['La', 'Fe', 'As', 'Ru', 'O']
  • Chemical System: As-Fe-La-O-Ru
  • Density: 6.860921077407751
  • Atomic Density: 0.05360957624320038
  • Unit Cell Volume: 149.2270702478214
  • Molar Volume: 11.233330277934856
  • Full Formula: La2 Fe1 As2 Ru1 O2
  • Reduced Formula: La2FeAs2RuO2
  • Formula Anonymous: ABC2D2E2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -61.34551575
  • Final energy per atom: -7.66818946875
  • 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.