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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200198

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-1200198
  • 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: 96
  • Number of elements: 5
  • Element list: ['Cd', 'Cu', 'P', 'S', 'O']
  • Chemical System: Cd-Cu-O-P-S
  • Density: 3.5650276854807124
  • Atomic Density: 0.07177136774847133
  • Unit Cell Volume: 1337.5807513720501
  • Molar Volume: 8.390728711071928
  • Full Formula: Cd8 Cu8 P8 S4 O68
  • Reduced Formula: Cd2Cu2P2SO17
  • Formula Anonymous: AB2C2D2E17
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -551.78048368
  • Final energy per atom: -5.747713371666666
  • 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.