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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200181

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-1200181
  • 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: 100
  • Number of elements: 5
  • Element list: ['Cu', 'As', 'P', 'S', 'I']
  • Chemical System: As-Cu-I-P-S
  • Density: 3.3107978075837674
  • Atomic Density: 0.03469420871954074
  • Unit Cell Volume: 2882.325428095936
  • Molar Volume: 17.357769444120986
  • Full Formula: Cu8 As36 P12 S36 I8
  • Reduced Formula: Cu2As9P3S9I2
  • Formula Anonymous: A2B2C3D9E9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -465.82298255
  • Final energy per atom: -4.6582298255
  • 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.