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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216559

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-1216559
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 4
  • Element list: ['Tl', 'Co', 'Ni', 'Se']
  • Chemical System: Co-Ni-Se-Tl
  • Density: 7.67108407378207
  • Atomic Density: 0.04812822515471174
  • Unit Cell Volume: 103.88914164042265
  • Molar Volume: 12.512700687884053
  • Full Formula: Tl1 Co1 Ni1 Se2
  • Reduced Formula: TlCoNiSe2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -24.40767728
  • Final energy per atom: -4.881535456
  • 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.