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  1. Third-Parties
  2. MatprojStructure
  3. mp-1184859

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-1184859
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['H', 'I']
  • Chemical System: H-I
  • Density: 2.378165131906544
  • Atomic Density: 0.015007434276143504
  • Unit Cell Volume: 533.0691344567247
  • Molar Volume: 40.12771703137203
  • Full Formula: H2 I6
  • Reduced Formula: HI3
  • Formula Anonymous: AB3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -17.50668561
  • Final energy per atom: -2.18833570125
  • 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.