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  1. Third-Parties
  2. MatprojStructure
  3. mp-863756

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-863756
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['K', 'Mn', 'P', 'H', 'O']
  • Chemical System: H-K-Mn-O-P
  • Density: 2.969809380840334
  • Atomic Density: 0.07942639062880236
  • Unit Cell Volume: 629.5136868761165
  • Molar Volume: 7.5820400654290765
  • Full Formula: K4 Mn6 P8 H8 O24
  • Reduced Formula: K2Mn3P4(HO3)4
  • Formula Anonymous: A2B3C4D4E12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -355.74091502
  • Final energy per atom: -7.1148183004
  • 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.