Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222621

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-1222621
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Li', 'Zn', 'Cd', 'P']
  • Chemical System: Cd-Li-P-Zn
  • Density: 4.301146819741839
  • Atomic Density: 0.06127063322270517
  • Unit Cell Volume: 97.9261953796255
  • Molar Volume: 9.828755544456106
  • Full Formula: Li2 Zn1 Cd1 P2
  • Reduced Formula: Li2ZnCdP2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -17.44602243
  • Final energy per atom: -2.9076704049999997
  • 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.