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  1. Third-Parties
  2. MatprojStructure
  3. mp-677030

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-677030
  • 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: 82
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Cu', 'Ru', 'O']
  • Chemical System: Ba-Cu-La-O-Ru
  • Density: 6.68798887811285
  • Atomic Density: 0.07021487363876924
  • Unit Cell Volume: 1167.8437309716041
  • Molar Volume: 8.576730894627525
  • Full Formula: Ba9 La9 Cu9 Ru9 O46
  • Reduced Formula: Ba9La9Cu9Ru9O46
  • Formula Anonymous: A9B9C9D9E46
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -585.6898022299999
  • Final energy per atom: -7.142558563780487
  • 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.