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  1. Third-Parties
  2. MatprojStructure
  3. mp-554212

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-554212
  • 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: 7
  • Number of elements: 3
  • Element list: ['Tl', 'Ni', 'S']
  • Chemical System: Ni-S-Tl
  • Density: 8.77520530466724
  • Atomic Density: 0.057000288904945386
  • Unit Cell Volume: 122.80639509868651
  • Molar Volume: 10.56510567874949
  • Full Formula: Tl2 Ni3 S2
  • Reduced Formula: Tl2Ni3S2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -33.28836423
  • Final energy per atom: -4.755480604285714
  • 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.