Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1210622

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-1210622
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Nd', 'Ge', 'Pt']
  • Chemical System: Ge-Nd-Pt
  • Density: 10.433383687693649
  • Atomic Density: 0.049536416809319084
  • Unit Cell Volume: 1049.7327693313791
  • Molar Volume: 12.156997110188799
  • Full Formula: Nd12 Ge24 Pt16
  • Reduced Formula: Nd3(Ge3Pt2)2
  • Formula Anonymous: A3B4C6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -312.9685551
  • Final energy per atom: -6.018626059615385
  • 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.