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  1. Third-Parties
  2. MatprojStructure
  3. mp-735597

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-735597
  • 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: 108
  • Number of elements: 6
  • Element list: ['K', 'H', 'W', 'C', 'N', 'O']
  • Chemical System: C-H-K-N-O-W
  • Density: 2.1717297151290023
  • Atomic Density: 0.06042379989415732
  • Unit Cell Volume: 1787.3751764897372
  • Molar Volume: 9.96650454051022
  • Full Formula: K16 H16 W4 C32 N32 O8
  • Reduced Formula: K4H4WC8(N4O)2
  • Formula Anonymous: AB2C4D4E8F8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -768.3652602799999
  • Final energy per atom: -7.11449315074074
  • 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.