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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221565

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-1221565
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 4
  • Element list: ['Mn', 'Tl', 'Cu', 'Se']
  • Chemical System: Cu-Mn-Se-Tl
  • Density: 6.885717689145439
  • Atomic Density: 0.04312380681732148
  • Unit Cell Volume: 115.94523695880339
  • Molar Volume: 13.964770748349366
  • Full Formula: Mn1 Tl1 Cu1 Se2
  • Reduced Formula: MnTlCuSe2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -25.31383454
  • Final energy per atom: -5.0627669079999995
  • 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.