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  1. Third-Parties
  2. MatprojStructure
  3. mp-13352

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-13352
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Rb', 'U', 'Cu', 'S']
  • Chemical System: Cu-Rb-S-U
  • Density: 5.298223561911487
  • Atomic Density: 0.03961609048946839
  • Unit Cell Volume: 302.9072241035521
  • Molar Volume: 15.201249506437128
  • Full Formula: Rb2 U2 Cu2 S6
  • Reduced Formula: RbUCuS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -75.13332154
  • Final energy per atom: -6.261110128333333
  • 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.