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  1. Third-Parties
  2. MatprojStructure
  3. mp-1232036

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-1232036
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['In', 'Se']
  • Chemical System: In-Se
  • Density: 6.2026518154809605
  • Atomic Density: 0.04108695047738604
  • Unit Cell Volume: 146.03176751466032
  • Molar Volume: 14.657064323414662
  • Full Formula: In2 Se4
  • Reduced Formula: InSe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -22.45663143
  • Final energy per atom: -3.742771905
  • 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.