Download Simmate

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

learn more

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-1223427
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['La', 'Ni', 'Ge', 'P']
  • Chemical System: Ge-La-Ni-P
  • Density: 7.067889264062854
  • Atomic Density: 0.06276500187289874
  • Unit Cell Volume: 159.3244595172695
  • Molar Volume: 9.594743217239186
  • Full Formula: La2 Ni4 Ge1 P3
  • Reduced Formula: La2Ni4GeP3
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -63.05289217000001
  • Final energy per atom: -6.305289217
  • 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.