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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213477

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-1213477
  • 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: 92
  • Number of elements: 4
  • Element list: ['Cs', 'Hf', 'C', 'Cl']
  • Chemical System: C-Cl-Cs-Hf
  • Density: 4.444103114275744
  • Atomic Density: 0.035221521937277823
  • Unit Cell Volume: 2612.0393140260317
  • Molar Volume: 17.097900456215875
  • Full Formula: Cs4 Hf24 C4 Cl60
  • Reduced Formula: CsHf6CCl15
  • Formula Anonymous: ABC6D15
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -591.71080982
  • Final energy per atom: -6.431639237173913
  • 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.