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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223393

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-1223393
  • 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: 10
  • Number of elements: 5
  • Element list: ['K', 'Rb', 'W', 'O', 'F']
  • Chemical System: F-K-O-Rb-W
  • Density: 4.338774292825835
  • Atomic Density: 0.052376070797756996
  • Unit Cell Volume: 190.92688412259153
  • Molar Volume: 11.497885710544553
  • Full Formula: K1 Rb2 W1 O3 F3
  • Reduced Formula: KRb2W(OF)3
  • Formula Anonymous: ABC2D3E3
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -62.57852041
  • Final energy per atom: -6.2578520410000005
  • 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.