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  1. Third-Parties
  2. MatprojStructure
  3. mp-686370

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-686370
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 5
  • Element list: ['Tb', 'Ba', 'Nb', 'Sn', 'O']
  • Chemical System: Ba-Nb-O-Sn-Tb
  • Density: 6.595514397778031
  • Atomic Density: 0.06209172398441831
  • Unit Cell Volume: 1449.4685317899236
  • Molar Volume: 9.69878169514384
  • Full Formula: Ba18 Tb9 Nb3 Sn6 O54
  • Reduced Formula: Ba6Tb3Nb(SnO9)2
  • Formula Anonymous: AB2C3D6E18
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -669.17199689
  • Final energy per atom: -7.435244409888888
  • 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.