Datasets:
Allanatrix
/
SSB_Dataset

Dataset card Data Studio Files
xet
Community
1
mp_id
stringlengths
4
38
elements
listlengths
1
10
atomic_numbers
listlengths
1
200
num_atoms
int32
1
200
num_elements
int32
1
10
fractional_coords
listlengths
1
200
lattice
dict
spacegroup_number
int32
0
230
reduced_formula
stringlengths
1
24
tier
stringclasses
3 values
is_li_containing
bool
2 classes
num_li_atoms
int32
0
104
⌀
band_gap
float32
0
17.9
⌀
energy_above_hull
float32
0
9.71
⌀
formation_energy_per_atom
float32
-5.15
8.99
⌀
is_metal
bool
2 classes
source_tags
listlengths
1
5
⌀
source
stringclasses
4 values
mp-1186017
[ "Na", "Ag" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 47, 47, 47, 47 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.498734951019287, "b": 7.498734951019287, "c": 7.498734951019287, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Ag
hard_negative
false
null
0
0.079432
0.049963
true
[ "metallic" ]
null
mp-1186018
[ "Na", "Au" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 79, 79, 79, 79 ]
16
2
[ [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.2318596839904785, "b": 7.2318596839904785, "c": 7.2318596839904785, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Au
hard_negative
false
null
0
0.043166
-0.179823
true
[ "metallic" ]
null
mp-1186020
[ "B", "Na" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 5, 5, 5, 5 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.020304203033447, "b": 7.020304203033447, "c": 7.020304203033447, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3B
hard_negative
false
null
0
0.857402
0.828705
true
[ "metallic" ]
null
mp-1186023
[ "P", "Mo" ]
[ 42, 42, 42, 42, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.0627121925354, "b": 6.0627121925354, "c": 6.0627121925354, "alpha": 90, "beta": 90, "gamma": 90 }
225
MoP3
hard_negative
false
null
0
0.797705
0.356998
true
[ "metallic" ]
null
mp-1186024
[ "Na", "Cd" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 48, 48, 48, 48 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.75248384475708, "b": 7.75248384475708, "c": 7.75248384475708, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Cd
hard_negative
false
null
0
0
-0.017759
true
[ "metallic" ]
null
mp-1186039
[ "Na", "Eu" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 63, 63, 63, 63 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.644594192504883, "b": 8.644594192504883, "c": 8.644594192504883, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Eu
hard_negative
false
null
0
0.115588
0.115588
true
[ "metallic" ]
null
mp-1186045
[ "Na", "Ga" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 31, 31, 31, 31 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.651241779327393, "b": 7.651241779327393, "c": 7.651241779327393, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Ga
hard_negative
false
null
0
0.113945
0.04886
true
[ "metallic" ]
null
mp-1186047
[ "Na", "In" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 49, 49, 49, 49 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.780918121337891, "b": 7.780918121337891, "c": 7.780918121337891, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3In
hard_negative
false
null
0
0.049876
-0.081999
true
[ "metallic" ]
null
mp-1186051
[ "Na", "La" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 57, 57, 57, 57 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.362126350402832, "b": 8.362126350402832, "c": 8.362126350402832, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3La
hard_negative
false
null
0
0.317071
0.317071
true
[ "metallic" ]
null
mp-1186064
[ "Na", "Os" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 76, 76, 76, 76 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.195332050323486, "b": 7.195332050323486, "c": 7.195332050323486, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Os
hard_negative
false
null
0
1.12906
1.12906
true
[ "metallic" ]
null
mp-1186065
[ "Na", "Ce" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 58, 58, 58, 58 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.507107734680176, "b": 8.507107734680176, "c": 8.507107734680176, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Ce
hard_negative
false
null
0
0.464398
0.464398
true
[ "metallic" ]
null
mp-1186073
[ "Na", "Ni" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 28, 28, 28, 28 ]
16
2
[ [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.285193920135498, "b": 7.285193920135498, "c": 7.285193920135498, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Ni
hard_negative
false
null
0
0.416754
0.416754
true
[ "metallic" ]
null
mp-1186074
[ "Na", "Pd" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 46, 46, 46, 46 ]
16
2
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.1504902839660645, "b": 7.1504902839660645, "c": 7.1504902839660645, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Pd
hard_negative
false
null
0
0.017987
0.017987
true
[ "metallic" ]
null
mp-1186079
[ "Na", "Si" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 14, 14, 14, 14 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.320260047912598, "b": 7.320260047912598, "c": 7.320260047912598, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Si
hard_negative
false
null
0
0.179099
0.144418
true
[ "metallic" ]
null
mp-1186080
[ "Na", "Sn" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 50, 50, 50, 50 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.587793827056885, "b": 7.587793827056885, "c": 7.587793827056885, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Sn
hard_negative
false
null
0
0.045904
-0.180928
true
[ "metallic" ]
null
mp-1186089
[ "Na", "Yb" ]
[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 70, 70, 70, 70 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.213666915893555, "b": 8.213666915893555, "c": 8.213666915893555, "alpha": 90, "beta": 90, "gamma": 90 }
225
Na3Yb
hard_negative
false
null
0
0.454047
0.454047
true
[ "metallic" ]
null
mp-1186105
[ "Na", "Ac" ]
[ 11, 11, 11, 11, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 8.897478103637695, "b": 8.897478103637695, "c": 8.897478103637695, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaAc3
hard_negative
false
null
0
0.207693
0.207693
true
[ "metallic" ]
null
mp-1186129
[ "Na", "Ca" ]
[ 11, 11, 11, 11, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 8.674652099609375, "b": 8.674652099609375, "c": 8.674652099609375, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaCa3
hard_negative
false
null
0
0.087386
0.087386
true
[ "metallic" ]
null
mp-1186131
[ "Na", "Dy" ]
[ 11, 11, 11, 11, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66, 66 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 7.963811874389648, "b": 7.963811874389648, "c": 7.963811874389648, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaDy3
hard_negative
false
null
0
0.310781
0.310781
true
[ "metallic" ]
null
mp-1186142
[ "Na", "Hg" ]
[ 11, 11, 11, 11, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 7.32215690612793, "b": 7.32215690612793, "c": 7.32215690612793, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaHg3
hard_negative
false
null
0
0.01543
-0.197312
true
[ "metallic" ]
null
mp-1186143
[ "Na", "Lu" ]
[ 11, 11, 11, 11, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71, 71 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 7.768893718719482, "b": 7.768893718719482, "c": 7.768893718719482, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaLu3
hard_negative
false
null
0
0.366225
0.366225
true
[ "metallic" ]
null
mp-1186145
[ "Na", "Ho" ]
[ 11, 11, 11, 11, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 7.921832084655762, "b": 7.921832084655762, "c": 7.921832084655762, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaHo3
hard_negative
false
null
0
0.31508
0.31508
true
[ "metallic" ]
null
mp-1186160
[ "Cu", "Np" ]
[ 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 29, 29, 29, 29 ]
16
2
[ [ 0.75, 0.75, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.437295913696289, "b": 6.437295913696289, "c": 6.437295913696289, "alpha": 90, "beta": 90, "gamma": 90 }
225
Np3Cu
hard_negative
false
null
0
0.315725
0.315725
true
[ "metallic" ]
null
mp-1186178
[ "Na", "Tb" ]
[ 11, 11, 11, 11, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 7.9821882247924805, "b": 7.9821882247924805, "c": 7.9821882247924805, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaTb3
hard_negative
false
null
0
0.307666
0.307666
true
[ "metallic" ]
null
mp-1186191
[ "Na", "Y" ]
[ 11, 11, 11, 11, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 8.022252082824707, "b": 8.022252082824707, "c": 8.022252082824707, "alpha": 90, "beta": 90, "gamma": 90 }
225
NaY3
hard_negative
false
null
0
0.310303
0.310303
true
[ "metallic" ]
null
mp-1186194
[ "B", "Np" ]
[ 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 5, 5, 5, 5 ]
16
2
[ [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0.5, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ] ]
{ "a": 6.24765157699585, "b": 6.24765157699585, "c": 6.24765157699585, "alpha": 90, "beta": 90, "gamma": 90 }
225
Np3B
hard_negative
false
null
0
0.446372
0.228534
true
[ "metallic" ]
null
mp-1186214
[ "Cu", "Nb" ]
[ 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 29, 29, 29, 29 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.4770121574401855, "b": 6.4770121574401855, "c": 6.4770121574401855, "alpha": 90, "beta": 90, "gamma": 90 }
225
Nb3Cu
hard_negative
false
null
0
0.171096
0.171096
true
[ "metallic" ]
null
mp-1186218
[ "Nb", "Os" ]
[ 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 76, 76, 76, 76 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.471156120300293, "b": 6.471156120300293, "c": 6.471156120300293, "alpha": 90, "beta": 90, "gamma": 90 }
225
Nb3Os
hard_negative
false
null
0
0.010133
-0.271538
true
[ "metallic" ]
null
mp-1186296
[ "Cd", "Nd" ]
[ 60, 60, 60, 60, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 7.253562927246094, "b": 7.253562927246094, "c": 7.253562927246094, "alpha": 90, "beta": 90, "gamma": 90 }
225
NdCd3
hard_negative
false
null
0
0
-0.278589
true
[ "metallic" ]
null
mp-1186327
[ "Nd", "Ta" ]
[ 60, 60, 60, 60, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.9358320236206055, "b": 6.9358320236206055, "c": 6.9358320236206055, "alpha": 90, "beta": 90, "gamma": 90 }
225
NdTa3
hard_negative
false
null
0
0.530152
0.530152
true
[ "metallic" ]
null
mp-1186352
[ "O", "Os" ]
[ 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 8, 8, 8, 8 ]
16
2
[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.962051868438721, "b": 5.962051868438721, "c": 5.962051868438721, "alpha": 90, "beta": 90, "gamma": 90 }
225
Os3O
hard_negative
false
null
0
1.160567
0.656792
true
[ "oxide", "metallic" ]
null
mp-1186354
[ "F", "Os" ]
[ 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 9, 9, 9, 9 ]
16
2
[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.010389804840088, "b": 6.010389804840088, "c": 6.010389804840088, "alpha": 90, "beta": 90, "gamma": 90 }
225
Os3F
hard_negative
false
null
0
0.967575
0.417279
true
[ "halide", "metallic" ]
null
mp-1186356
[ "Cl", "Os" ]
[ 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 17, 17, 17, 17 ]
16
2
[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.210351943969727, "b": 6.210351943969727, "c": 6.210351943969727, "alpha": 90, "beta": 90, "gamma": 90 }
225
Os3Cl
hard_negative
false
null
0
1.423117
1.261716
true
[ "halide", "metallic" ]
null
mp-1186360
[ "H", "P" ]
[ 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 1, 1, 1, 1 ]
16
2
[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.7382378578186035, "b": 5.7382378578186035, "c": 5.7382378578186035, "alpha": 90, "beta": 90, "gamma": 90 }
225
P3H
hard_negative
false
null
0
0.782461
0.778146
true
[ "metallic" ]
null
mp-1186361
[ "P", "W" ]
[ 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 74, 74, 74, 74 ]
16
2
[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.069392204284668, "b": 6.069392204284668, "c": 6.069392204284668, "alpha": 90, "beta": 90, "gamma": 90 }
225
P3W
hard_negative
false
null
0
0.776444
0.490317
true
[ "metallic" ]
null
mp-1186383
[ "Os", "Pb" ]
[ 76, 76, 76, 76, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 7.310972213745117, "b": 7.310972213745117, "c": 7.310972213745117, "alpha": 90, "beta": 90, "gamma": 90 }
225
OsPb3
hard_negative
false
null
0
0.858868
0.858868
true
[ "metallic" ]
null
mp-1186399
[ "Re", "Pa" ]
[ 91, 91, 91, 91, 91, 91, 91, 91, 91, 91, 91, 91, 75, 75, 75, 75 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.051342010498047, "b": 7.051342010498047, "c": 7.051342010498047, "alpha": 90, "beta": 90, "gamma": 90 }
225
Pa3Re
hard_negative
false
null
0
0.186239
0.186239
true
[ "metallic" ]
null
mp-1186418
[ "Ti", "Pa" ]
[ 91, 91, 91, 91, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.671026229858398, "b": 6.671026229858398, "c": 6.671026229858398, "alpha": 90, "beta": 90, "gamma": 90 }
225
PaTi3
hard_negative
false
null
0
0.055699
0.055699
true
[ "metallic" ]
null
mp-1186424
[ "F", "Pd" ]
[ 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 9, 9, 9, 9 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.180109977722168, "b": 6.180109977722168, "c": 6.180109977722168, "alpha": 90, "beta": 90, "gamma": 90 }
225
Pd3F
hard_negative
false
null
0
0.443059
-0.074126
true
[ "halide", "metallic" ]
null
mp-1186431
[ "S", "Pd" ]
[ 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 46, 16, 16, 16, 16 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.260191917419434, "b": 6.260191917419434, "c": 6.260191917419434, "alpha": 90, "beta": 90, "gamma": 90 }
225
Pd3S
hard_negative
false
null
0
0.332157
0.070075
true
[ "sulfide", "metallic" ]
null
mp-1186448
[ "O", "Pb" ]
[ 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 82, 8, 8, 8, 8 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.357100009918213, "b": 7.357100009918213, "c": 7.357100009918213, "alpha": 90, "beta": 90, "gamma": 90 }
225
Pb3O
hard_negative
false
null
0
0.737046
0.00206
true
[ "oxide", "metallic" ]
null
mp-1186538
[ "Pm", "Au" ]
[ 61, 61, 61, 61, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.962416648864746, "b": 6.962416648864746, "c": 6.962416648864746, "alpha": 90, "beta": 90, "gamma": 90 }
225
PmAu3
hard_negative
false
null
0
0.02258
-0.712735
true
[ "metallic" ]
null
mp-1186580
[ "Pm", "Hg" ]
[ 61, 61, 61, 61, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ] ]
{ "a": 7.274838924407959, "b": 7.274838924407959, "c": 7.274838924407959, "alpha": 90, "beta": 90, "gamma": 90 }
225
PmHg3
hard_negative
false
null
0
0
-0.434079
true
[ "metallic" ]
null
mp-1186603
[ "Mg", "Pm" ]
[ 61, 61, 61, 61, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ] ]
{ "a": 7.3658552169799805, "b": 7.3658552169799805, "c": 7.3658552169799805, "alpha": 90, "beta": 90, "gamma": 90 }
225
PmMg3
hard_negative
false
null
0
0
-0.096128
true
[ "metallic" ]
null
mp-1186650
[ "Pm", "Ta" ]
[ 61, 61, 61, 61, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.920182228088379, "b": 6.920182228088379, "c": 6.920182228088379, "alpha": 90, "beta": 90, "gamma": 90 }
225
PmTa3
hard_negative
false
null
0
0.499645
0.499645
true
[ "metallic" ]
null
mp-1186664
[ "Au", "Pu" ]
[ 94, 94, 94, 94, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.9376540184021, "b": 6.9376540184021, "c": 6.9376540184021, "alpha": 90, "beta": 90, "gamma": 90 }
225
PuAu3
hard_negative
false
null
0
0.48695
-0.075906
true
[ "metallic" ]
null
mp-1186703
[ "Cr", "Pr" ]
[ 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 59, 24, 24, 24, 24 ]
16
2
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.856210231781006, "b": 7.856210231781006, "c": 7.856210231781006, "alpha": 90, "beta": 90, "gamma": 90 }
225
Pr3Cr
hard_negative
false
null
0
0.382994
0.382994
true
[ "metallic" ]
null
mp-1186771
[ "Sr", "Yb" ]
[ 38, 38, 38, 38, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 8.160512924194336, "b": 8.160512924194336, "c": 8.160512924194336, "alpha": 90, "beta": 90, "gamma": 90 }
225
SrYb3
hard_negative
false
null
0
0.295217
0.295217
true
[ "metallic" ]
null
mp-1186783
[ "Cl", "Pt" ]
[ 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 78, 17, 17, 17, 17 ]
16
2
[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.400819778442383, "b": 6.400819778442383, "c": 6.400819778442383, "alpha": 90, "beta": 90, "gamma": 90 }
225
Pt3Cl
hard_negative
false
null
0
0.76857
0.590421
true
[ "halide", "metallic" ]
null
mp-1186792
[ "Hg", "Pu" ]
[ 94, 94, 94, 94, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0, 0 ] ]
{ "a": 7.311823844909668, "b": 7.311823844909668, "c": 7.311823844909668, "alpha": 90, "beta": 90, "gamma": 90 }
225
PuHg3
hard_negative
false
null
0
0
-0.233401
true
[ "metallic" ]
null
mp-1186802
[ "Ag", "Pu" ]
[ 94, 94, 94, 94, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 7.085951805114746, "b": 7.085951805114746, "c": 7.085951805114746, "alpha": 90, "beta": 90, "gamma": 90 }
225
PuAg3
hard_negative
false
null
0
0.082228
0.082228
true
[ "metallic" ]
null
mp-1186808
[ "Mg", "Pu" ]
[ 94, 94, 94, 94, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ] ]
{ "a": 7.19923210144043, "b": 7.19923210144043, "c": 7.19923210144043, "alpha": 90, "beta": 90, "gamma": 90 }
225
PuMg3
hard_negative
false
null
0
0.125555
0.125555
true
[ "metallic" ]
null
mp-1186824
[ "Np", "Pu" ]
[ 94, 94, 94, 94, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ] ]
{ "a": 6.512214183807373, "b": 6.512214183807373, "c": 6.512214183807373, "alpha": 90, "beta": 90, "gamma": 90 }
225
PuNp3
hard_negative
false
null
0
0.45904
0.45904
true
[ "metallic" ]
null
mp-1186838
[ "Rb", "Er" ]
[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 68, 68, 68, 68 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 10.209566116333008, "b": 10.209566116333008, "c": 10.209566116333008, "alpha": 90, "beta": 90, "gamma": 90 }
225
Rb3Er
hard_negative
false
null
0
0.633027
0.633027
true
[ "metallic" ]
null
mp-1186848
[ "Rb", "In" ]
[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 49, 49, 49, 49 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.709004402160645, "b": 9.709004402160645, "c": 9.709004402160645, "alpha": 90, "beta": 90, "gamma": 90 }
225
Rb3In
hard_negative
false
null
0
0.165141
0.107872
true
[ "metallic" ]
null
mp-1186852
[ "Mg", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 12, 12, 12, 12 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 10.157631874084473, "b": 10.157631874084473, "c": 10.157631874084473, "alpha": 90, "beta": 90, "gamma": 90 }
225
Rb3Mg
hard_negative
false
null
0
0.184755
0.184755
true
[ "metallic" ]
null
mp-1186857
[ "Rb", "Re" ]
[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 75, 75, 75, 75 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.294918060302734, "b": 9.294918060302734, "c": 9.294918060302734, "alpha": 90, "beta": 90, "gamma": 90 }
225
Rb3Re
hard_negative
false
null
0
1.558224
1.558224
true
[ "metallic" ]
null
mp-1186859
[ "Mn", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 25, 25, 25, 25 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.788366317749023, "b": 9.788366317749023, "c": 9.788366317749023, "alpha": 90, "beta": 90, "gamma": 90 }
225
Rb3Mn
hard_negative
false
null
0
0.683111
0.683111
true
[ "metallic" ]
null
mp-1186865
[ "Rb", "Rh" ]
[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 45, 45, 45, 45 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.544258117675781, "b": 8.544258117675781, "c": 8.544258117675781, "alpha": 90, "beta": 90, "gamma": 90 }
225
Rb3Rh
hard_negative
false
null
0
0.646042
0.646042
true
[ "metallic" ]
null
mp-1186869
[ "Rb", "Ta" ]
[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 73, 73, 73, 73 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.432275772094727, "b": 9.432275772094727, "c": 9.432275772094727, "alpha": 90, "beta": 90, "gamma": 90 }
225
Rb3Ta
hard_negative
false
null
0
1.459703
1.459703
true
[ "metallic" ]
null
mp-1186872
[ "Rb", "Tb" ]
[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 65, 65, 65, 65 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 10.26830005645752, "b": 10.26830005645752, "c": 10.26830005645752, "alpha": 90, "beta": 90, "gamma": 90 }
225
Rb3Tb
hard_negative
false
null
0
0.643097
0.643097
true
[ "metallic" ]
null
mp-1186873
[ "Rb", "Sr" ]
[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 38, 38, 38, 38 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 10.880576133728027, "b": 10.880576133728027, "c": 10.880576133728027, "alpha": 90, "beta": 90, "gamma": 90 }
225
Rb3Sr
hard_negative
false
null
0
0.135942
0.135942
true
[ "metallic" ]
null
mp-1186876
[ "Rb", "W" ]
[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 74, 74, 74, 74 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.594889640808105, "b": 9.594889640808105, "c": 9.594889640808105, "alpha": 90, "beta": 90, "gamma": 90 }
225
Rb3W
hard_negative
false
null
0
1.544127
1.544127
true
[ "metallic" ]
null
mp-1186882
[ "Rb", "Zr" ]
[ 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 40, 40, 40, 40 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.833160400390625, "b": 9.833160400390625, "c": 9.833160400390625, "alpha": 90, "beta": 90, "gamma": 90 }
225
Rb3Zr
hard_negative
false
null
0
1.022008
1.022008
true
[ "metallic" ]
null
mp-1186895
[ "H", "Re" ]
[ 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 1, 1, 1, 1 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.991702079772949, "b": 5.991702079772949, "c": 5.991702079772949, "alpha": 90, "beta": 90, "gamma": 90 }
225
Re3H
hard_negative
false
null
0
0.777424
0.777424
true
[ "metallic" ]
null
mp-1186896
[ "Ag", "Re" ]
[ 75, 75, 75, 75, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.51298189163208, "b": 6.51298189163208, "c": 6.51298189163208, "alpha": 90, "beta": 90, "gamma": 90 }
225
ReAg3
hard_negative
false
null
0
0.895789
0.895789
true
[ "metallic" ]
null
mp-1186907
[ "As", "Re" ]
[ 75, 75, 75, 75, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33, 33 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.4149699211120605, "b": 6.4149699211120605, "c": 6.4149699211120605, "alpha": 90, "beta": 90, "gamma": 90 }
225
ReAs3
hard_negative
false
null
0
0.654438
0.583458
true
[ "metallic" ]
null
mp-1186909
[ "F", "Ru" ]
[ 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 44, 9, 9, 9, 9 ]
16
2
[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 5.962649822235107, "b": 5.962649822235107, "c": 5.962649822235107, "alpha": 90, "beta": 90, "gamma": 90 }
225
Ru3F
hard_negative
false
null
0
0.871312
0.265429
true
[ "halide", "metallic" ]
null
mp-1186946
[ "Rb", "Eu" ]
[ 37, 37, 37, 37, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 9.74165153503418, "b": 9.74165153503418, "c": 9.74165153503418, "alpha": 90, "beta": 90, "gamma": 90 }
225
RbEu3
hard_negative
false
null
0
0.277266
0.277266
true
[ "metallic" ]
null
mp-1186973
[ "Sc", "Ag" ]
[ 21, 21, 21, 21, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.639754295349121, "b": 6.639754295349121, "c": 6.639754295349121, "alpha": 90, "beta": 90, "gamma": 90 }
225
ScAg3
hard_negative
false
null
0
0.068512
-0.156942
true
[ "metallic" ]
null
mp-1186977
[ "Sc", "Au" ]
[ 21, 21, 21, 21, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.62898063659668, "b": 6.62898063659668, "c": 6.62898063659668, "alpha": 90, "beta": 90, "gamma": 90 }
225
ScAu3
hard_negative
false
null
0
0.074201
-0.62323
true
[ "metallic" ]
null
mp-1186998
[ "Si", "Au" ]
[ 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.571467876434326, "b": 6.571467876434326, "c": 6.571467876434326, "alpha": 90, "beta": 90, "gamma": 90 }
225
SiAu3
hard_negative
false
null
0
0.164292
0.164292
true
[ "metallic" ]
null
mp-1187027
[ "Ge", "Sn" ]
[ 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 32, 32, 32, 32 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.417640209197998, "b": 7.417640209197998, "c": 7.417640209197998, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sn3Ge
hard_negative
false
null
0
0.14818
0.14818
true
[ "metallic" ]
null
mp-1187035
[ "P", "Sn" ]
[ 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 15, 15, 15, 15 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.347055912017822, "b": 7.347055912017822, "c": 7.347055912017822, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sn3P
hard_negative
false
null
0
0.309086
0.306804
true
[ "metallic" ]
null
mp-1187036
[ "Rh", "Sn" ]
[ 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 45, 45, 45, 45 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.082925796508789, "b": 7.082925796508789, "c": 7.082925796508789, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sn3Rh
hard_negative
false
null
0
0.425743
0.101351
true
[ "metallic" ]
null
mp-1187038
[ "S", "Sn" ]
[ 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 16, 16, 16, 16 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.327919960021973, "b": 7.327919960021973, "c": 7.327919960021973, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sn3S
hard_negative
false
null
0
0.316785
0.080744
true
[ "sulfide", "metallic" ]
null
mp-1187055
[ "Se", "Sn" ]
[ 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 34, 34, 34, 34 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.466276168823242, "b": 7.466276168823242, "c": 7.466276168823242, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sn3Se
hard_negative
false
null
0
0.259655
0.032882
true
[ "metallic" ]
null
mp-1187107
[ "Ca", "Sr" ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 20, 20, 20, 20 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.460904121398926, "b": 9.460904121398926, "c": 9.460904121398926, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sr3Ca
hard_negative
false
null
0
0.057118
0.057118
true
[ "metallic" ]
null
mp-1187120
[ "Sr", "Nb" ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 41, 41, 41, 41 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.580907821655273, "b": 8.580907821655273, "c": 8.580907821655273, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sr3Nb
hard_negative
false
null
0
0.734068
0.734068
true
[ "metallic" ]
null
mp-1187122
[ "Sr", "Mo" ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 42, 42, 42, 42 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.477953910827637, "b": 8.477953910827637, "c": 8.477953910827637, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sr3Mo
hard_negative
false
null
0
0.839718
0.839718
true
[ "metallic" ]
null
mp-1187127
[ "Sr", "La" ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 57, 57, 57, 57 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.17242431640625, "b": 9.17242431640625, "c": 9.17242431640625, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sr3La
hard_negative
false
null
0
0.149374
0.149374
true
[ "metallic" ]
null
mp-1187130
[ "Sr", "Eu" ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 63, 63, 63, 63 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.489558219909668, "b": 9.489558219909668, "c": 9.489558219909668, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sr3Eu
hard_negative
false
null
0
0.07229
0.07229
true
[ "metallic" ]
null
mp-1187140
[ "Sr", "Th" ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 90, 90, 90, 90 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.969526290893555, "b": 8.969526290893555, "c": 8.969526290893555, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sr3Th
hard_negative
false
null
0
0.403074
0.403074
true
[ "metallic" ]
null
mp-1187144
[ "Sr", "W" ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 74, 74, 74, 74 ]
16
2
[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.256908416748047, "b": 8.256908416748047, "c": 8.256908416748047, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sr3W
hard_negative
false
null
0
1.078291
1.078291
true
[ "metallic" ]
null
mp-1187152
[ "Sr", "Cd" ]
[ 38, 38, 38, 38, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 7.437522888183594, "b": 7.437522888183594, "c": 7.437522888183594, "alpha": 90, "beta": 90, "gamma": 90 }
225
SrCd3
hard_negative
false
null
0
0.04993
-0.200901
true
[ "metallic" ]
null
mp-1187155
[ "Ca", "Sr" ]
[ 38, 38, 38, 38, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 9.035752296447754, "b": 9.035752296447754, "c": 9.035752296447754, "alpha": 90, "beta": 90, "gamma": 90 }
225
SrCa3
hard_negative
false
null
0
0.038698
0.038698
true
[ "metallic" ]
null
mp-1187159
[ "Sr", "Pa" ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 91, 91, 91, 91 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.969236373901367, "b": 8.969236373901367, "c": 8.969236373901367, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sr3Pa
hard_negative
false
null
0
0.722541
0.722541
true
[ "metallic" ]
null
mp-1187181
[ "Sr", "Eu" ]
[ 38, 38, 38, 38, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 9.147913932800293, "b": 9.147913932800293, "c": 9.147913932800293, "alpha": 90, "beta": 90, "gamma": 90 }
225
SrEu3
hard_negative
false
null
0
0.0703
0.0703
true
[ "metallic" ]
null
mp-1187196
[ "Ta", "Ir" ]
[ 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 77, 77, 77, 77 ]
16
2
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.451943397521973, "b": 6.451943397521973, "c": 6.451943397521973, "alpha": 90, "beta": 90, "gamma": 90 }
225
Ta3Ir
hard_negative
false
null
0
0
-0.357769
true
[ "metallic" ]
null
mp-1187197
[ "Ta", "Os" ]
[ 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 76, 76, 76, 76 ]
16
2
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.445636749267578, "b": 6.445636749267578, "c": 6.445636749267578, "alpha": 90, "beta": 90, "gamma": 90 }
225
Ta3Os
hard_negative
false
null
0
0
-0.303158
true
[ "metallic" ]
null
mp-1187203
[ "Ta", "Re" ]
[ 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 75, 75, 75, 75 ]
16
2
[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.475034236907959, "b": 6.475034236907959, "c": 6.475034236907959, "alpha": 90, "beta": 90, "gamma": 90 }
225
Ta3Re
hard_negative
false
null
0
0.023771
-0.247185
true
[ "metallic" ]
null
mp-1187204
[ "Ta", "Pt" ]
[ 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 78, 78, 78, 78 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.493439197540283, "b": 6.493439197540283, "c": 6.493439197540283, "alpha": 90, "beta": 90, "gamma": 90 }
225
Ta3Pt
hard_negative
false
null
0
0.053864
-0.22505
true
[ "metallic" ]
null
mp-1187206
[ "Ta", "W" ]
[ 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 74, 74, 74, 74 ]
16
2
[ [ 0.75, 0.75, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.534346580505371, "b": 6.534346580505371, "c": 6.534346580505371, "alpha": 90, "beta": 90, "gamma": 90 }
225
Ta3W
hard_negative
false
null
0
0
-0.027936
true
[ "metallic" ]
null
mp-1187253
[ "Ti", "Ta" ]
[ 73, 73, 73, 73, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.533055782318115, "b": 6.533055782318115, "c": 6.533055782318115, "alpha": 90, "beta": 90, "gamma": 90 }
225
TaTi3
hard_negative
false
null
0
0.097495
0.097495
true
[ "metallic" ]
null
mp-1187254
[ "Sb", "Ta" ]
[ 73, 73, 73, 73, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 7.209829807281494, "b": 7.209829807281494, "c": 7.209829807281494, "alpha": 90, "beta": 90, "gamma": 90 }
225
TaSb3
hard_negative
false
null
0
0.587869
0.461805
true
[ "metallic" ]
null
mp-1187262
[ "Sr", "U" ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 92, 92, 92, 92 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.429723739624023, "b": 9.429723739624023, "c": 9.429723739624023, "alpha": 90, "beta": 90, "gamma": 90 }
225
Sr3U
hard_negative
false
null
0
0.78892
0.78892
true
[ "metallic" ]
null
mp-1187307
[ "V", "Tb" ]
[ 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 23, 23, 23, 23 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 7.607848167419434, "b": 7.607848167419434, "c": 7.607848167419434, "alpha": 90, "beta": 90, "gamma": 90 }
225
Tb3V
hard_negative
false
null
0
0.332462
0.332462
true
[ "metallic" ]
null
mp-1187380
[ "Tb", "Ta" ]
[ 65, 65, 65, 65, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73 ]
16
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]
{ "a": 6.88360595703125, "b": 6.88360595703125, "c": 6.88360595703125, "alpha": 90, "beta": 90, "gamma": 90 }
225
TbTa3
hard_negative
false
null
0
0.412557
0.412557
true
[ "metallic" ]
null
mp-1187385
[ "Ge", "Tc" ]
[ 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 32, 32, 32, 32 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.113899230957031, "b": 6.113899230957031, "c": 6.113899230957031, "alpha": 90, "beta": 90, "gamma": 90 }
225
Tc3Ge
hard_negative
false
null
0
0.104603
0.021715
true
[ "metallic" ]
null
mp-1187392
[ "Tc", "Te" ]
[ 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 52, 52, 52, 52 ]
16
2
[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 6.36417818069458, "b": 6.36417818069458, "c": 6.36417818069458, "alpha": 90, "beta": 90, "gamma": 90 }
225
Tc3Te
hard_negative
false
null
0
0.505988
0.305519
true
[ "metallic" ]
null