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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221902

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-1221902
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Nd', 'Zn', 'As']
  • Chemical System: As-Nd-Zn
  • Density: 5.934174419979779
  • Atomic Density: 0.044256913802220486
  • Unit Cell Volume: 316.3347553461259
  • Molar Volume: 13.60723159981809
  • Full Formula: Nd2 Zn6 As6
  • Reduced Formula: Nd(ZnAs)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -52.65011885
  • Final energy per atom: -3.760722775
  • 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.