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  1. Third-Parties
  2. MatprojStructure
  3. mp-703302

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-703302
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 69
  • Number of elements: 3
  • Element list: ['Cd', 'In', 'Se']
  • Chemical System: Cd-In-Se
  • Density: 5.613915592902108
  • Atomic Density: 0.03607441885823452
  • Unit Cell Volume: 1912.7127250796923
  • Molar Volume: 16.69365980271462
  • Full Formula: Cd9 In20 Se40
  • Reduced Formula: Cd9(InSe2)20
  • Formula Anonymous: A9B20C40
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -247.3434328
  • Final energy per atom: -3.5846874318840576
  • 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.