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  1. Third-Parties
  2. MatprojStructure
  3. mp-28479

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-28479
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Sc', 'C', 'Cl']
  • Chemical System: C-Cl-Sc
  • Density: 2.7582170050041097
  • Atomic Density: 0.0480544839244839
  • Unit Cell Volume: 104.04856304059662
  • Molar Volume: 12.531901850124129
  • Full Formula: Sc2 C1 Cl2
  • Reduced Formula: Sc2CCl2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -34.5453272
  • Final energy per atom: -6.909065440000001
  • 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.