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  1. Third-Parties
  2. MatprojStructure
  3. mp-624929

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-624929
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Cd', 'In', 'Ga', 'S']
  • Chemical System: Cd-Ga-In-S
  • Density: 3.8963687135273473
  • Atomic Density: 0.03862811161886644
  • Unit Cell Volume: 181.21517482053446
  • Molar Volume: 15.590047008818091
  • Full Formula: Cd1 In1 Ga1 S4
  • Reduced Formula: CdInGaS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -27.57582661
  • Final energy per atom: -3.9394038014285715
  • 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.