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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215694

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-1215694
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 4
  • Element list: ['Y', 'Zn', 'Cu', 'As']
  • Chemical System: As-Cu-Y-Zn
  • Density: 6.171761187123206
  • Atomic Density: 0.05053957743843839
  • Unit Cell Volume: 98.93236654165611
  • Molar Volume: 11.91569274067535
  • Full Formula: Y1 Zn1 Cu1 As2
  • Reduced Formula: YZnCuAs2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -24.50013079
  • Final energy per atom: -4.900026158
  • 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.