Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1196473

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-1196473
  • 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: 52
  • Number of elements: 4
  • Element list: ['Tb', 'Sb', 'Mo', 'O']
  • Chemical System: Mo-O-Sb-Tb
  • Density: 4.8151661231530065
  • Atomic Density: 0.061140673574988785
  • Unit Cell Volume: 850.4976631672566
  • Molar Volume: 9.849647391623629
  • Full Formula: Tb4 Sb4 Mo8 O36
  • Reduced Formula: TbSbMo2O9
  • Formula Anonymous: ABC2D9
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -423.6702610500001
  • Final energy per atom: -8.147505020192309
  • 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.