Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1250185

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-1250185
  • 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: 76
  • Number of elements: 4
  • Element list: ['Ca', 'Mn', 'Si', 'O']
  • Chemical System: Ca-Mn-O-Si
  • Density: 3.612984513783998
  • Atomic Density: 0.08865893724630589
  • Unit Cell Volume: 857.2175841546833
  • Molar Volume: 6.792480202271907
  • Full Formula: Ca8 Mn8 Si12 O48
  • Reduced Formula: Ca2Mn2(SiO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -606.2865062000001
  • Final energy per atom: -7.97745402894737
  • 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.