Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221670

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-1221670
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Mn', 'Cd', 'Hg', 'Te']
  • Chemical System: Cd-Hg-Mn-Te
  • Density: 5.977967925285912
  • Atomic Density: 0.02877177993368747
  • Unit Cell Volume: 208.53767176826256
  • Molar Volume: 20.93072021918592
  • Full Formula: Mn1 Cd1 Hg1 Te3
  • Reduced Formula: MnCdHgTe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -22.509065560000003
  • Final energy per atom: -3.751510926666667
  • 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.