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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218982

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-1218982
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 4
  • Element list: ['Sm', 'Zn', 'Cu', 'As']
  • Chemical System: As-Cu-Sm-Zn
  • Density: 7.008455433605999
  • Atomic Density: 0.04917289841595433
  • Unit Cell Volume: 101.68202731726164
  • Molar Volume: 12.246869625334297
  • Full Formula: Sm1 Zn1 Cu1 As2
  • Reduced Formula: SmZnCuAs2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -22.76728812
  • Final energy per atom: -4.553457624
  • 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.