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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224585

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-1224585
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['In', 'Hg', 'As', 'Br']
  • Chemical System: As-Br-Hg-In
  • Density: 5.720728029284264
  • Atomic Density: 0.02737871033787336
  • Unit Cell Volume: 803.5440577187118
  • Molar Volume: 21.99570646565294
  • Full Formula: In2 Hg8 As5 Br7
  • Reduced Formula: In2Hg8As5Br7
  • Formula Anonymous: A2B5C7D8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -51.41895804
  • Final energy per atom: -2.3372253654545454
  • 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.