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  1. Third-Parties
  2. MatprojStructure
  3. mp-560806

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-560806
  • 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: 18
  • Number of elements: 3
  • Element list: ['Zn', 'In', 'S']
  • Chemical System: In-S-Zn
  • Density: 4.183260370919547
  • Atomic Density: 0.043536633616758524
  • Unit Cell Volume: 413.4449199368339
  • Molar Volume: 13.832352802036356
  • Full Formula: Zn4 In4 S10
  • Reduced Formula: Zn2In2S5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -73.10588353
  • Final energy per atom: -4.061437973888889
  • 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.