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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224634

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-1224634
  • 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: 40
  • Number of elements: 4
  • Element list: ['In', 'Ga', 'Bi', 'S']
  • Chemical System: Bi-Ga-In-S
  • Density: 4.749545225054125
  • Atomic Density: 0.04017177438210239
  • Unit Cell Volume: 995.7240031155078
  • Molar Volume: 14.990975262180665
  • Full Formula: In9 Ga3 Bi4 S24
  • Reduced Formula: In9Ga3(BiS6)4
  • Formula Anonymous: A3B4C9D24
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -181.46486593
  • Final energy per atom: -4.53662164825
  • 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.