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  1. Third-Parties
  2. MatprojStructure
  3. mp-680136

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-680136
  • 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: 186
  • Number of elements: 3
  • Element list: ['Cd', 'In', 'Se']
  • Chemical System: Cd-In-Se
  • Density: 5.131806507604155
  • Atomic Density: 0.032996166182298975
  • Unit Cell Volume: 5637.018524284831
  • Molar Volume: 18.251031731167057
  • Full Formula: Cd26 In52 Se108
  • Reduced Formula: Cd13(In13Se27)2
  • Formula Anonymous: A13B26C54
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -691.27940728
  • Final energy per atom: -3.7165559531182795
  • 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.