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  1. Third-Parties
  2. MatprojStructure
  3. mp-755770

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-755770
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ba', 'La', 'I']
  • Chemical System: Ba-I-La
  • Density: 5.1216857156319975
  • Atomic Density: 0.02369132131998239
  • Unit Cell Volume: 844.1909900200901
  • Molar Volume: 25.419184851123685
  • Full Formula: Ba4 La2 I14
  • Reduced Formula: Ba2LaI7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -76.8609389
  • Final energy per atom: -3.8430469449999998
  • 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.