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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229243

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-1229243
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Cu', 'Mo', 'O']
  • Chemical System: Ba-Cu-Mo-O-Y
  • Density: 5.8906399447720705
  • Atomic Density: 0.06521657818749625
  • Unit Cell Volume: 766.676225426165
  • Molar Volume: 9.234064293723714
  • Full Formula: Ba10 Y4 Cu2 Mo4 O30
  • Reduced Formula: Ba5Y2CuMo2O15
  • Formula Anonymous: AB2C2D5E15
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -385.39390767
  • Final energy per atom: -7.707878153399999
  • 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.