Download Simmate

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

learn more

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-1398116
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Zn', 'Sb', 'O']
  • Chemical System: O-Sb-Zn
  • Density: 5.750738395563031
  • Atomic Density: 0.07213871731847209
  • Unit Cell Volume: 180.2083608252787
  • Molar Volume: 8.348000884759214
  • Full Formula: Zn2 Sb3 O8
  • Reduced Formula: Zn2Sb3O8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -75.61935308
  • Final energy per atom: -5.816873313846154
  • 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.