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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223571

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-1223571
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['La', 'Gd', 'Sc', 'B', 'O']
  • Chemical System: B-Gd-La-O-Sc
  • Density: 3.7409710938432665
  • Atomic Density: 0.08788601983301683
  • Unit Cell Volume: 1137.8373965506653
  • Molar Volume: 6.852216964020044
  • Full Formula: La4 Gd1 Sc15 B20 O60
  • Reduced Formula: La4GdSc15(BO3)20
  • Formula Anonymous: AB4C15D20E60
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -906.06511662
  • Final energy per atom: -9.0606511662
  • 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.