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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201463

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-1201463
  • 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: 90
  • Number of elements: 5
  • Element list: ['K', 'Mn', 'P', 'H', 'O']
  • Chemical System: H-K-Mn-O-P
  • Density: 2.684725511504902
  • Atomic Density: 0.08091998215481043
  • Unit Cell Volume: 1112.2098349925277
  • Molar Volume: 7.44209353442375
  • Full Formula: K8 Mn6 P12 H16 O48
  • Reduced Formula: K4Mn3P6(HO3)8
  • Formula Anonymous: A3B4C6D8E24
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -627.2548669700001
  • Final energy per atom: -6.96949852188889
  • 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.