Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-669410

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-669410
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['K', 'Mn', 'Sn', 'Se']
  • Chemical System: K-Mn-Se-Sn
  • Density: 3.9580466223368003
  • Atomic Density: 0.03105418749766108
  • Unit Cell Volume: 1416.8781586481362
  • Molar Volume: 19.39236297988338
  • Full Formula: K8 Mn4 Sn8 Se24
  • Reduced Formula: K2Mn(SnSe3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -203.03371925
  • Final energy per atom: -4.614402710227273
  • 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.