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-54698
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Mn', 'H', 'O']
  • Chemical System: H-Mn-O
  • Density: 4.445554998666441
  • Atomic Density: 0.10715951456582298
  • Unit Cell Volume: 130.64635517176094
  • Molar Volume: 5.619791004466417
  • Full Formula: Mn4 H2 O8
  • Reduced Formula: Mn2HO4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2