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  1. Third-Parties
  2. MatprojStructure
  3. mp-691043

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-691043
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Ba', 'Pr', 'Nb', 'Sn', 'O']
  • Chemical System: Ba-Nb-O-Pr-Sn
  • Density: 6.09654655674516
  • Atomic Density: 0.0587327327648378
  • Unit Cell Volume: 851.3140398250646
  • Molar Volume: 10.25346595758157
  • Full Formula: Ba10 Pr5 Nb1 Sn4 O30
  • Reduced Formula: Ba10Pr5Nb(Sn2O15)2
  • Formula Anonymous: AB4C5D10E30
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -363.46197252
  • Final energy per atom: -7.269239450400001
  • 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.