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  1. Third-Parties
  2. MatprojStructure
  3. mp-560035

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-560035
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 4
  • Element list: ['Tl', 'Ni', 'P', 'O']
  • Chemical System: Ni-O-P-Tl
  • Density: 5.771332092456188
  • Atomic Density: 0.079244506789479
  • Unit Cell Volume: 517.3860203196244
  • Molar Volume: 7.5994425405390205
  • Full Formula: Tl4 Ni7 P6 O24
  • Reduced Formula: Tl4Ni7(PO4)6
  • Formula Anonymous: A4B6C7D24
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -285.16174795
  • Final energy per atom: -6.955164584146342
  • 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.