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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-999671
  • Created at: Sept. 4, 2022, 3:26 p.m.
  • Last updated at: Sept. 4, 2022, 3:26 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 4
  • Element list: ['Ca', 'Cu', 'Fe', 'Tc']
  • Chemical System: Ca-Cu-Fe-Tc
  • Density: 6.701836959536549
  • Atomic Density: 0.06270177075274597
  • Unit Cell Volume: 63.794051618946085
  • Molar Volume: 9.604418962499981
  • Full Formula: Ca1 Fe1 Cu1 Tc1
  • Reduced Formula: CaFeCuTc
  • Formula Anonymous: ABCD
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m