Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-22043

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-22043
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Tl', 'Cd', 'N', 'O']
  • Chemical System: Cd-N-O-Tl
  • Density: 3.478894634836788
  • Atomic Density: 0.05067037217713286
  • Unit Cell Volume: 217.0893863093473
  • Molar Volume: 11.884934925971875
  • Full Formula: Tl1 Cd1 N3 O6
  • Reduced Formula: TlCd(NO2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -56.165131
  • Final energy per atom: -5.105921
  • 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.