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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197975

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-1197975
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['K', 'Tb', 'P', 'H', 'O']
  • Chemical System: H-K-O-P-Tb
  • Density: 3.1363562038830266
  • Atomic Density: 0.07869871958019477
  • Unit Cell Volume: 864.0547185867151
  • Molar Volume: 7.652145793634394
  • Full Formula: K4 Tb4 P8 H16 O36
  • Reduced Formula: KTbP2H4O9
  • Formula Anonymous: ABC2D4E9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -463.9177153500001
  • Final energy per atom: -6.822319343382354
  • 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.