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  1. Third-Parties
  2. MatprojStructure
  3. mp-16599

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-16599
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['K', 'Yb', 'Si', 'O']
  • Chemical System: K-O-Si-Yb
  • Density: 3.5781638066699015
  • Atomic Density: 0.06109610487292681
  • Unit Cell Volume: 1276.677132891392
  • Molar Volume: 9.856832563263062
  • Full Formula: K18 Yb6 Si12 O42
  • Reduced Formula: K3YbSi2O7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -523.8341298500001
  • Final energy per atom: -6.715822177564103
  • 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.