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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194618

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-1194618
  • 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: 38
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Fe', 'O']
  • Chemical System: Ba-Fe-O-Y
  • Density: 5.409610858860299
  • Atomic Density: 0.060994228648163
  • Unit Cell Volume: 623.0097640745305
  • Molar Volume: 9.873296037134773
  • Full Formula: Ba8 Y4 Fe4 O22
  • Reduced Formula: Ba4Y2Fe2O11
  • Formula Anonymous: A2B2C4D11
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -290.49969761999995
  • Final energy per atom: -7.644728884736841
  • 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.