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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210823

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-1210823
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Lu', 'S', 'I']
  • Chemical System: I-Lu-S
  • Density: 6.359562110258149
  • Atomic Density: 0.0344061056402485
  • Unit Cell Volume: 87.19382633327089
  • Molar Volume: 17.503116519398397
  • Full Formula: Lu1 S1 I1
  • Reduced Formula: LuSI
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -15.16312776
  • Final energy per atom: -5.05437592
  • 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.