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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105576

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-1105576
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['K', 'Se', 'O']
  • Chemical System: K-O-Se
  • Density: 3.1879242373665897
  • Atomic Density: 0.03604982777726305
  • Unit Cell Volume: 443.8301369664613
  • Molar Volume: 16.70504723963818
  • Full Formula: K4 Se8 O4
  • Reduced Formula: KSe2O
  • Formula Anonymous: ABC2
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -66.88159024000001
  • Final energy per atom: -4.1800993900000005
  • 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.