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  1. Third-Parties
  2. MatprojStructure
  3. mp-6101

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-6101
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 4
  • Element list: ['Ba', 'Nb', 'Si', 'O']
  • Chemical System: Ba-Nb-O-Si
  • Density: 4.3393101298112144
  • Atomic Density: 0.06804529858966832
  • Unit Cell Volume: 573.1476062024597
  • Molar Volume: 8.850193745662207
  • Full Formula: Ba3 Nb6 Si4 O26
  • Reduced Formula: Ba3Nb6(Si2O13)2
  • Formula Anonymous: A3B4C6D26
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -343.2086297300001
  • Final energy per atom: -8.800221275128207
  • 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.