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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216747

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-1216747
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Tl', 'Co', 'Ni', 'Se']
  • Chemical System: Co-Ni-Se-Tl
  • Density: 7.812887385906747
  • Atomic Density: 0.04900565350855605
  • Unit Cell Volume: 204.05808889486738
  • Molar Volume: 12.288665345414843
  • Full Formula: Tl2 Co3 Ni1 Se4
  • Reduced Formula: Tl2Co3NiSe4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -50.03712521
  • Final energy per atom: -5.003712521
  • 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.