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  1. Third-Parties
  2. MatprojStructure
  3. mp-17729

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-17729
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Pr', 'Tl', 'Mo', 'O']
  • Chemical System: Mo-O-Pr-Tl
  • Density: 5.497466115849608
  • Atomic Density: 0.05972615675241631
  • Unit Cell Volume: 401.8339920897228
  • Molar Volume: 10.082920260487658
  • Full Formula: Pr2 Tl2 Mo4 O16
  • Reduced Formula: PrTl(MoO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 126
  • Spacegroup Symbol: P4/nnc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -193.34152967
  • Final energy per atom: -8.055897069583333
  • 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.