Download Simmate

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

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-91499
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Th', 'Se', 'O']
  • Chemical System: O-Se-Th
  • Density: 5.528631781067924
  • Atomic Density: 0.06632920166667572
  • Unit Cell Volume: 603.0526373739893
  • Molar Volume: 9.079169669888502
  • Full Formula: Th4 Se8 O28
  • Reduced Formula: ThSe2O7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m