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  1. Third-Parties
  2. MatprojStructure
  3. mp-9637

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-9637
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['K', 'Np', 'O', 'F']
  • Chemical System: F-K-Np-O
  • Density: 4.035847144697138
  • Atomic Density: 0.055548882235204926
  • Unit Cell Volume: 792.095146283868
  • Molar Volume: 10.841155605077828
  • Full Formula: K12 Np4 O8 F20
  • Reduced Formula: K3NpO2F5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -287.22507203
  • Final energy per atom: -6.527842546136363
  • 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.