Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222177

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-1222177
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 87
  • Number of elements: 3
  • Element list: ['Nd', 'Mn', 'Ni']
  • Chemical System: Mn-Nd-Ni
  • Density: 7.435377987136111
  • Atomic Density: 0.060282826111681426
  • Unit Cell Volume: 1443.197102916537
  • Molar Volume: 9.989811607112172
  • Full Formula: Nd18 Mn49 Ni20
  • Reduced Formula: Nd18Mn49Ni20
  • Formula Anonymous: A18B20C49
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -646.60267068
  • Final energy per atom: -7.432214605517241
  • 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.