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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216250

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-1216250
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Y', 'U', 'S', 'O']
  • Chemical System: O-S-U-Y
  • Density: 5.269383888065319
  • Atomic Density: 0.051439055731743205
  • Unit Cell Volume: 1010.9050265460187
  • Molar Volume: 11.70733147086858
  • Full Formula: Y16 U4 S20 O12
  • Reduced Formula: Y4US5O3
  • Formula Anonymous: AB3C4D5
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -441.83586535
  • Final energy per atom: -8.496843564423077
  • 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.