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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104518

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-1104518
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['In', 'Mo', 'Se']
  • Chemical System: In-Mo-Se
  • Density: 5.7117704997752385
  • Atomic Density: 0.03765016804100002
  • Unit Cell Volume: 371.8442899047456
  • Molar Volume: 15.994990390061606
  • Full Formula: In2 Mo6 Se6
  • Reduced Formula: In(MoSe)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -99.90182456
  • Final energy per atom: -7.135844611428571
  • 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.