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  1. Third-Parties
  2. MatprojStructure
  3. mp-14964

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-14964
  • 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: 22
  • Number of elements: 3
  • Element list: ['Pr', 'Ta', 'O']
  • Chemical System: O-Pr-Ta
  • Density: 7.233458891254094
  • Atomic Density: 0.0669543561138869
  • Unit Cell Volume: 328.5820561485022
  • Molar Volume: 8.994397242438653
  • Full Formula: Pr6 Ta2 O14
  • Reduced Formula: Pr3TaO7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -203.45312210999995
  • Final energy per atom: -9.24786918681818
  • 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.