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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223076

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-1223076
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['La', 'B', 'I']
  • Chemical System: B-I-La
  • Density: 4.851664202089838
  • Atomic Density: 0.030795353205158686
  • Unit Cell Volume: 422.14161056682747
  • Molar Volume: 19.55535538066568
  • Full Formula: La4 B4 I5
  • Reduced Formula: La4B4I5
  • Formula Anonymous: A4B4C5
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -70.76957655999999
  • Final energy per atom: -5.4438135815384605
  • 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.