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  1. Third-Parties
  2. MatprojStructure
  3. mp-555356

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-555356
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['Ba', 'Dy', 'Zn', 'Pt', 'O']
  • Chemical System: Ba-Dy-O-Pt-Zn
  • Density: 7.575115003411997
  • Atomic Density: 0.06379925565801266
  • Unit Cell Volume: 1034.4948278673364
  • Molar Volume: 9.439202225619804
  • Full Formula: Ba13 Dy8 Zn4 Pt4 O37
  • Reduced Formula: Ba13Dy8Zn4Pt4O37
  • Formula Anonymous: A4B4C8D13E37
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -461.38253926
  • Final energy per atom: -6.990644534242424
  • 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.