Structure

Basic information

Pretty formulaKH28S4N7O16
Full formulaK1H28S4N7O16
Tags
Constituent elementsH; K; N; O; S;
Number of elements5
Number of sites56
Volume555.30485 Å3
Density1.64353 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a8.283 Å b8.396 Å c7.990 Å
α90.507° β90.290° γ88.226°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-258.45571 eV -4.61528 eV -0.47739 eV 0.00760 eV 0.00000 eV 0.77138 eV