Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1212512

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-1212512
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 43
  • Number of elements: 3
  • Element list: ['Hf', 'Si', 'P']
  • Chemical System: Hf-P-Si
  • Density: 11.183505332350173
  • Atomic Density: 0.054667338508745604
  • Unit Cell Volume: 786.5756990002526
  • Molar Volume: 11.015975762267239
  • Full Formula: Hf27 Si6 P10
  • Reduced Formula: Hf27(Si3P5)2
  • Formula Anonymous: A6B10C27
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -394.70997509
  • Final energy per atom: -9.17930174627907
  • 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.