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  1. Third-Parties
  2. MatprojStructure
  3. mp-1523349

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-1523349
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 5
  • Element list: ['K', 'Ca', 'Sm', 'Se', 'O']
  • Chemical System: Ca-K-O-Se-Sm
  • Density: 4.934708857823866
  • Atomic Density: 0.07346859748446359
  • Unit Cell Volume: 136.11257520078155
  • Molar Volume: 8.196890870651917
  • Full Formula: K1 Ca1 Sm1 Se1 O6
  • Reduced Formula: KCaSmSeO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -64.57581216
  • Final energy per atom: -6.4575812159999995
  • 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.