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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182262

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-1182262
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Cd', 'Cl', 'O']
  • Chemical System: Cd-Cl-O
  • Density: 2.3657014038253865
  • Atomic Density: 0.040323582992765394
  • Unit Cell Volume: 1388.7654777614175
  • Molar Volume: 14.934537838764118
  • Full Formula: Cd8 Cl16 O32
  • Reduced Formula: Cd(ClO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -206.12499335
  • Final energy per atom: -3.6808034526785716
  • 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.