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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204852

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-1204852
  • 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: 5
  • Element list: ['Cs', 'Mo', 'S', 'Cl', 'O']
  • Chemical System: Cl-Cs-Mo-O-S
  • Density: 2.8056027444349905
  • Atomic Density: 0.032508296980025636
  • Unit Cell Volume: 1722.637148122788
  • Molar Volume: 18.52493461500071
  • Full Formula: Cs8 Mo8 S8 Cl16 O16
  • Reduced Formula: CsMoS(ClO)2
  • Formula Anonymous: ABCD2E2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -313.53541033
  • Final energy per atom: -5.598846613035714
  • 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.