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  1. Third-Parties
  2. MatprojStructure
  3. mp-28730

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-28730
  • 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: 64
  • Number of elements: 2
  • Element list: ['In', 'Cl']
  • Chemical System: Cl-In
  • Density: 3.8846583936148664
  • Atomic Density: 0.03333651179620812
  • Unit Cell Volume: 1919.816937994086
  • Molar Volume: 18.064699740675902
  • Full Formula: In28 Cl36
  • Reduced Formula: In7Cl9
  • Formula Anonymous: A7B9
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -222.98343439
  • Final energy per atom: -3.48411616234375
  • 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.