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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219604

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-1219604
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 6
  • Element list: ['Rb', 'Pr', 'Ti', 'Nb', 'O', 'F']
  • Chemical System: F-Nb-O-Pr-Rb-Ti
  • Density: 4.708681310829411
  • Atomic Density: 0.06469436424231706
  • Unit Cell Volume: 170.0302666055851
  • Molar Volume: 9.308601808719645
  • Full Formula: Rb1 Pr1 Ti1 Nb1 O6 F1
  • Reduced Formula: RbPrTiNbO6F
  • Formula Anonymous: ABCDEF6
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -91.21889917
  • Final energy per atom: -8.292627197272727
  • 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.