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  1. Third-Parties
  2. MatprojStructure
  3. mp-631440

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-631440
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Bi', 'Te', 'Ir']
  • Chemical System: Bi-Ir-Te
  • Density: 10.746905359856354
  • Atomic Density: 0.03671692230360005
  • Unit Cell Volume: 81.70619463129277
  • Molar Volume: 16.401540167786713
  • Full Formula: Bi1 Te1 Ir1
  • Reduced Formula: BiTeIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -13.08687231
  • Final energy per atom: -4.36229077
  • 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.