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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205257

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-1205257
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 344
  • Number of elements: 6
  • Element list: ['Cd', 'Si', 'P', 'H', 'C', 'I']
  • Chemical System: C-Cd-H-I-P-Si
  • Density: 1.6239838971577456
  • Atomic Density: 0.06818427953308358
  • Unit Cell Volume: 5045.151204290255
  • Molar Volume: 8.832154275499835
  • Full Formula: Cd8 Si24 P8 H216 C72 I16
  • Reduced Formula: CdSi3PH27C9I2
  • Formula Anonymous: ABC2D3E9F27
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -1695.48390826
  • Final energy per atom: -4.928732291453488
  • 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.