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  1. Third-Parties
  2. MatprojStructure
  3. mp-866482

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-866482
  • 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: 32
  • Number of elements: 2
  • Element list: ['Cs', 'Si']
  • Chemical System: Cs-Si
  • Density: 3.4813823056686557
  • Atomic Density: 0.02604540695476834
  • Unit Cell Volume: 1228.6235364098047
  • Molar Volume: 23.12169961659009
  • Full Formula: Cs16 Si16
  • Reduced Formula: CsSi
  • Formula Anonymous: AB
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -101.17223092
  • Final energy per atom: -3.16163221625
  • 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.