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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223001

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-1223001
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['La', 'Th', 'U', 'S']
  • Chemical System: La-S-Th-U
  • Density: 6.981345190375822
  • Atomic Density: 0.04372055983456411
  • Unit Cell Volume: 731.9210943566601
  • Molar Volume: 13.774162048215777
  • Full Formula: La4 Th4 U4 S20
  • Reduced Formula: LaThUS5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -246.98328509
  • Final energy per atom: -7.7182276590625
  • 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.