Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1195700

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-1195700
  • 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: 78
  • Number of elements: 4
  • Element list: ['Na', 'Ho', 'Si', 'O']
  • Chemical System: Ho-Na-O-Si
  • Density: 3.69188506651011
  • Atomic Density: 0.07188604919741176
  • Unit Cell Volume: 1085.0505886865233
  • Molar Volume: 8.377342790757828
  • Full Formula: Na18 Ho6 Si12 O42
  • Reduced Formula: Na3HoSi2O7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -562.82042514
  • Final energy per atom: -7.215646476153846
  • 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.