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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194515

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-1194515
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 4
  • Element list: ['U', 'Cu', 'S', 'O']
  • Chemical System: Cu-O-S-U
  • Density: 3.3978963150028743
  • Atomic Density: 0.057808783847879026
  • Unit Cell Volume: 467.0570491683266
  • Molar Volume: 10.41734552978483
  • Full Formula: U2 Cu1 S2 O22
  • Reduced Formula: U2Cu(SO11)2
  • Formula Anonymous: AB2C2D22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -167.6725142
  • Final energy per atom: -6.210093118518518
  • 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.