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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215501

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-1215501
  • 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: 4
  • Number of elements: 4
  • Element list: ['Zn', 'Cd', 'Se', 'S']
  • Chemical System: Cd-S-Se-Zn
  • Density: 4.807830876094147
  • Atomic Density: 0.04009546198981289
  • Unit Cell Volume: 99.76191323138478
  • Molar Volume: 15.01950709915764
  • Full Formula: Zn1 Cd1 Se1 S1
  • Reduced Formula: ZnCdSeS
  • Formula Anonymous: ABCD
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -13.31853998
  • Final energy per atom: -3.329634995
  • 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.