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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205615

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-1205615
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['La', 'Co', 'I']
  • Chemical System: Co-I-La
  • Density: 6.775365716520181
  • Atomic Density: 0.039039061501436864
  • Unit Cell Volume: 256.1536987673728
  • Molar Volume: 15.425936301717577
  • Full Formula: La4 Co4 I2
  • Reduced Formula: La2Co2I
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -58.13532742
  • Final energy per atom: -5.8135327420000005
  • 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.