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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217308

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-1217308
  • 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: 36
  • Number of elements: 4
  • Element list: ['Tl', 'P', 'N', 'O']
  • Chemical System: N-O-P-Tl
  • Density: 2.619055959402069
  • Atomic Density: 0.05488032212093878
  • Unit Cell Volume: 655.9728261191224
  • Molar Volume: 10.973224148956556
  • Full Formula: Tl2 P6 N4 O24
  • Reduced Formula: TlP3(NO6)2
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -237.99232119
  • Final energy per atom: -6.610897810833333
  • 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.