Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-15016

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-15016
  • 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: 64
  • Number of elements: 4
  • Element list: ['Nd', 'Si', 'Se', 'O']
  • Chemical System: Nd-O-Se-Si
  • Density: 6.031215040051859
  • Atomic Density: 0.05917764324948754
  • Unit Cell Volume: 1081.489503226444
  • Molar Volume: 10.176378154518938
  • Full Formula: Nd16 Si8 Se12 O28
  • Reduced Formula: Nd4Si2Se3O7
  • Formula Anonymous: A2B3C4D7
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -503.68338461
  • Final energy per atom: -7.87005288453125
  • 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.