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  1. Third-Parties
  2. MatprojStructure
  3. mp-568271

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-568271
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Si', 'Bi', 'Rh', 'I']
  • Chemical System: Bi-I-Rh-Si
  • Density: 6.647305670135783
  • Atomic Density: 0.025195009525385947
  • Unit Cell Volume: 2302.043186034935
  • Molar Volume: 23.90211741707111
  • Full Formula: Si4 Bi28 Rh2 I24
  • Reduced Formula: Si2Bi14RhI12
  • Formula Anonymous: AB2C12D14
  • Spacegroup Number: 124
  • Spacegroup Symbol: P4/mcc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -198.61582608
  • Final energy per atom: -3.4244107944827586
  • 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.