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  1. Third-Parties
  2. MatprojStructure
  3. mp-677468

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-677468
  • 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: 80
  • Number of elements: 5
  • Element list: ['Ba', 'Tb', 'Nb', 'Sn', 'O']
  • Chemical System: Ba-Nb-O-Sn-Tb
  • Density: 6.573545042897068
  • Atomic Density: 0.06262165949991574
  • Unit Cell Volume: 1277.513254022079
  • Molar Volume: 9.616705798108246
  • Full Formula: Ba16 Tb8 Nb5 Sn3 O48
  • Reduced Formula: Ba16Tb8Nb5(SnO16)3
  • Formula Anonymous: A3B5C8D16E48
  • Spacegroup Number: 75
  • Spacegroup Symbol: P4
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -627.10959674
  • Final energy per atom: -7.83886995925
  • 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.