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  1. Third-Parties
  2. MatprojStructure
  3. mp-675626

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-675626
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Cu', 'As', 'Se']
  • Chemical System: As-Cu-Se
  • Density: 5.485508430546522
  • Atomic Density: 0.04545514502635896
  • Unit Cell Volume: 175.99767848856018
  • Molar Volume: 13.248534916141669
  • Full Formula: Cu3 As1 Se4
  • Reduced Formula: Cu3AsSe4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -34.004837349999995
  • Final energy per atom: -4.250604668749999
  • 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.