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-11780
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Mg', 'Cr', 'O']
  • Chemical System: Cr-Mg-O
  • Density: 3.166235749049937
  • Atomic Density: 0.08154395172604771
  • Unit Cell Volume: 147.15990267818748
  • Molar Volume: 7.385147067966217
  • Full Formula: Mg2 Cr2 O8
  • Reduced Formula: MgCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm