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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226404

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-1226404
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 6
  • Element list: ['Cu', 'Si', 'H', 'C', 'S', 'I']
  • Chemical System: C-Cu-H-I-S-Si
  • Density: 1.5672172494498895
  • Atomic Density: 0.07017122877594009
  • Unit Cell Volume: 1767.1060085884715
  • Molar Volume: 8.58206542061415
  • Full Formula: Cu4 Si4 H72 C28 S12 I4
  • Reduced Formula: CuSiH18C7S3I
  • Formula Anonymous: ABCD3E7F18
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -623.12879611
  • Final energy per atom: -5.025232226693549
  • 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.