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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223701

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-1223701
  • 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: 50
  • Number of elements: 7
  • Element list: ['K', 'Rb', 'Mn', 'Ga', 'P', 'H', 'O']
  • Chemical System: Ga-H-K-Mn-O-P-Rb
  • Density: 3.157792733735995
  • Atomic Density: 0.08230733116293733
  • Unit Cell Volume: 607.4793009752551
  • Molar Volume: 7.316651718518784
  • Full Formula: K1 Rb1 Mn2 Ga4 P6 H8 O28
  • Reduced Formula: KRbMn2Ga4P6(H2O7)4
  • Formula Anonymous: ABC2D4E6F8G28
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -344.95148328
  • Final energy per atom: -6.8990296656
  • 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.