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  1. Third-Parties
  2. MatprojStructure
  3. mp-630773

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-630773
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Cd', 'In', 'Ga', 'S']
  • Chemical System: Cd-Ga-In-S
  • Density: 4.197485818326552
  • Atomic Density: 0.041613348897399975
  • Unit Cell Volume: 336.4305053774398
  • Molar Volume: 14.47165613814914
  • Full Formula: Cd2 In2 Ga2 S8
  • Reduced Formula: CdInGaS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -58.27086338
  • Final energy per atom: -4.162204527142857
  • 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.