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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199919

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-1199919
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 6
  • Element list: ['K', 'Mn', 'P', 'H', 'O', 'F']
  • Chemical System: F-H-K-Mn-O-P
  • Density: 2.4955101557829216
  • Atomic Density: 0.0703630750919684
  • Unit Cell Volume: 483.20798878616563
  • Molar Volume: 8.558666249490562
  • Full Formula: K4 Mn2 P4 H4 O16 F4
  • Reduced Formula: K2MnP2H2(O4F)2
  • Formula Anonymous: AB2C2D2E2F8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -223.8347521
  • Final energy per atom: -6.5833750617647055
  • 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.