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  1. Third-Parties
  2. MatprojStructure
  3. mp-569070

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-569070
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['In', 'Si', 'P', 'H', 'C']
  • Chemical System: C-H-In-P-Si
  • Density: 1.3059041047988085
  • Atomic Density: 0.08785908868935662
  • Unit Cell Volume: 819.4940452270158
  • Molar Volume: 6.854317350470688
  • Full Formula: In2 Si4 P2 H48 C16
  • Reduced Formula: InSi2P(H3C)8
  • Formula Anonymous: ABC2D8E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -361.50070422
  • Final energy per atom: -5.0208431141666665
  • 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.