Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1226675

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-1226675
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Cs', 'Na', 'Y', 'Ho', 'Cl']
  • Chemical System: Cl-Cs-Ho-Na-Y
  • Density: 3.1300149154621058
  • Atomic Density: 0.030929508877970316
  • Unit Cell Volume: 1293.2633414198885
  • Molar Volume: 19.47053470444627
  • Full Formula: Cs8 Na4 Y3 Ho1 Cl24
  • Reduced Formula: Cs8Na4Y3HoCl24
  • Formula Anonymous: AB3C4D8E24
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -180.85326794
  • Final energy per atom: -4.5213316985
  • 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.