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-1236065
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Li', 'Cd', 'Tc', 'O']
  • Chemical System: Cd-Li-O-Tc
  • Density: 7.010940781383995
  • Atomic Density: 0.08520634569200862
  • Unit Cell Volume: 246.460516871686
  • Molar Volume: 7.0677139256364185
  • Full Formula: Li1 Cd4 Tc4 O12
  • Reduced Formula: LiCd4(TcO3)4
  • Formula Anonymous: AB4C4D12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -138.18640759
  • Final energy per atom: -6.580305123333333
  • 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.