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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201443

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-1201443
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Cs', 'Nb', 'Te', 'O']
  • Chemical System: Cs-Nb-O-Te
  • Density: 4.835179138340342
  • Atomic Density: 0.061919033206647614
  • Unit Cell Volume: 1550.4118043899539
  • Molar Volume: 9.725831377085301
  • Full Formula: Cs6 Nb18 Te8 O64
  • Reduced Formula: Cs3Nb9(TeO8)4
  • Formula Anonymous: A3B4C9D32
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -780.54876931
  • Final energy per atom: -8.130716346979167
  • 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.