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  1. Third-Parties
  2. MatprojStructure
  3. mp-705033

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-705033
  • Created at: Sept. 4, 2022, 2:48 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: ['Cr', 'As', 'C', 'Cl', 'O']
  • Chemical System: As-C-Cl-Cr-O
  • Density: 1.9313138187774805
  • Atomic Density: 0.056451693747971064
  • Unit Cell Volume: 1700.5689931748122
  • Molar Volume: 10.667776926031454
  • Full Formula: Cr8 As4 C40 Cl4 O40
  • Reduced Formula: Cr2AsC10ClO10
  • Formula Anonymous: ABC2D10E10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -746.84154358
  • Final energy per atom: -7.779599412291667
  • 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.