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  1. Third-Parties
  2. MatprojStructure
  3. mp-18204

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-18204
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Ba', 'Yb', 'Zn', 'O']
  • Chemical System: Ba-O-Yb-Zn
  • Density: 8.145473674736365
  • Atomic Density: 0.0698507184063757
  • Unit Cell Volume: 544.0173110163962
  • Molar Volume: 8.621444270572201
  • Full Formula: Ba5 Yb8 Zn4 O21
  • Reduced Formula: Ba5Yb8Zn4O21
  • Formula Anonymous: A4B5C8D21
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -232.86045907
  • Final energy per atom: -6.127906817631579
  • 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.