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  1. Third-Parties
  2. MatprojStructure
  3. mp-971996

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-971996
  • 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: 5
  • Number of elements: 3
  • Element list: ['Sr', 'Ho', 'O']
  • Chemical System: Ho-O-Sr
  • Density: 6.040663396361041
  • Atomic Density: 0.060518889378056544
  • Unit Cell Volume: 82.61883275427296
  • Molar Volume: 9.950844805462605
  • Full Formula: Sr1 Ho1 O3
  • Reduced Formula: SrHoO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -36.40411844
  • Final energy per atom: -7.280823688
  • 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.