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  1. Third-Parties
  2. MatprojStructure
  3. mp-605196

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-605196
  • 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: 112
  • Number of elements: 7
  • Element list: ['Cs', 'Cu', 'As', 'H', 'C', 'I', 'O']
  • Chemical System: As-C-Cs-Cu-H-I-O
  • Density: 3.0302006947465148
  • Atomic Density: 0.06087093065356521
  • Unit Cell Volume: 1839.9587257409569
  • Molar Volume: 9.893295034823462
  • Full Formula: Cs2 Cu6 As16 H48 C16 I8 O16
  • Reduced Formula: CsCu3As8H24C8(IO2)4
  • Formula Anonymous: AB3C4D8E8F8G24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -565.3142604
  • Final energy per atom: -5.0474487535714285
  • 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.