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  1. Third-Parties
  2. MatprojStructure
  3. mp-556824

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-556824
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['Tl', 'Ni', 'P', 'O']
  • Chemical System: Ni-O-P-Tl
  • Density: 5.078531208545896
  • Atomic Density: 0.07589545602767875
  • Unit Cell Volume: 1317.6019386922246
  • Molar Volume: 7.934784340453466
  • Full Formula: Tl8 Ni16 P16 O60
  • Reduced Formula: Tl2Ni4P4O15
  • Formula Anonymous: A2B4C4D15
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -708.83412273
  • Final energy per atom: -7.0883412273
  • 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.