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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103663

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-1103663
  • 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: 11
  • Number of elements: 4
  • Element list: ['Sr', 'Ta', 'H', 'O']
  • Chemical System: H-O-Sr-Ta
  • Density: 5.154778602088534
  • Atomic Density: 0.06314036796922785
  • Unit Cell Volume: 174.2150125789728
  • Molar Volume: 9.537702984143134
  • Full Formula: Sr3 Ta1 H1 O6
  • Reduced Formula: Sr3TaHO6
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -83.43745872
  • Final energy per atom: -7.5852235199999996
  • 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.