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  1. Third-Parties
  2. MatprojStructure
  3. mp-581446

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-581446
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 4
  • Element list: ['Ba', 'Re', 'W', 'O']
  • Chemical System: Ba-O-Re-W
  • Density: 6.991755628703532
  • Atomic Density: 0.06473610667112714
  • Unit Cell Volume: 571.551208477329
  • Molar Volume: 9.302599537834004
  • Full Formula: Ba8 Re2 W3 O24
  • Reduced Formula: Ba8Re2(WO8)3
  • Formula Anonymous: A2B3C8D24
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -298.38175420000005
  • Final energy per atom: -8.064371735135136
  • 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.