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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223053

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-1223053
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['La', 'Fe', 'As', 'Ru', 'O']
  • Chemical System: As-Fe-La-O-Ru
  • Density: 7.131326850360142
  • Atomic Density: 0.05375114934778343
  • Unit Cell Volume: 595.3361070095816
  • Molar Volume: 11.203743237256635
  • Full Formula: La8 Fe2 As8 Ru6 O8
  • Reduced Formula: La4FeAs4Ru3O4
  • Formula Anonymous: AB3C4D4E4
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -252.18988865
  • Final energy per atom: -7.8809340203125
  • 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.