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  1. Third-Parties
  2. MatprojStructure
  3. mp-16594

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-16594
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['K', 'Tb', 'Si', 'O']
  • Chemical System: K-O-Si-Tb
  • Density: 3.5279574473288946
  • Atomic Density: 0.06215215599910282
  • Unit Cell Volume: 1254.9846219514243
  • Molar Volume: 9.68935133977803
  • Full Formula: K18 Tb6 Si12 O42
  • Reduced Formula: K3TbSi2O7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -560.9013235900001
  • Final energy per atom: -7.191042610128206
  • 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.