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-974754
|
[
"Nd",
"Pa"
] |
[
60,
91,
91,
91
] | 4
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
]
] |
{
"a": 4.746362209320068,
"b": 4.746362209320068,
"c": 4.746362209320068,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NdPa3
|
hard_negative
| false
| null | 0
| 0.256381
| 0.256381
| true
|
[
"metallic"
] | null |
mp-974779
|
[
"Nd",
"Th"
] |
[
60,
90,
90,
90
] | 4
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
]
] |
{
"a": 5.080632209777832,
"b": 5.080632209777832,
"c": 5.080632209777832,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NdTh3
|
hard_negative
| false
| null | 0
| 0.066244
| 0.066244
| true
|
[
"metallic"
] | null |
mp-974799
|
[
"Rb",
"Sr"
] |
[
37,
37,
37,
38
] | 4
| 2
|
[
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.828638076782227,
"b": 6.828638076782227,
"c": 6.828638076782227,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3Sr
|
hard_negative
| false
| null | 0
| 0.136834
| 0.136834
| true
|
[
"metallic"
] | null |
mp-974827
|
[
"K",
"Pr"
] |
[
19,
59,
59,
59
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.417850017547607,
"b": 5.417850017547607,
"c": 5.417850017547607,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KPr3
|
hard_negative
| false
| null | 0
| 0.440888
| 0.440888
| true
|
[
"metallic"
] | null |
mp-974834
|
[
"Ni",
"Eu"
] |
[
63,
28,
28,
28
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.8879239559173584,
"b": 3.8879239559173584,
"c": 3.8879239559173584,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
EuNi3
|
hard_negative
| false
| null | 0
| 0.281016
| 0.181417
| true
|
[
"metallic"
] | null |
mp-974865
|
[
"Y",
"Nd"
] |
[
60,
39,
39,
39
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.131717205047607,
"b": 5.131717205047607,
"c": 5.131717205047607,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NdY3
|
hard_negative
| false
| null | 0
| 0.072005
| 0.072005
| true
|
[
"metallic"
] | null |
mp-974866
|
[
"Na",
"Rb"
] |
[
37,
37,
37,
11
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.7605977058410645,
"b": 6.7605977058410645,
"c": 6.7605977058410645,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3Na
|
hard_negative
| false
| null | 0
| 0.048399
| 0.048399
| true
|
[
"metallic"
] | null |
mp-974938
|
[
"Li",
"Rb"
] |
[
37,
37,
37,
3
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.545835018157959,
"b": 6.545835018157959,
"c": 6.545835018157959,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3Li
|
hard_negative
| true
| 1
| 0
| 0.145149
| 0.145149
| true
|
[
"li",
"metallic"
] | null |
mp-974948
|
[
"Rb",
"In"
] |
[
37,
37,
37,
49
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.189033031463623,
"b": 6.189033031463623,
"c": 6.189033031463623,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3In
|
hard_negative
| false
| null | 0
| 0.166342
| 0.109073
| true
|
[
"metallic"
] | null |
mp-974951
|
[
"Rb",
"Hg"
] |
[
37,
37,
37,
80
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.33022403717041,
"b": 6.33022403717041,
"c": 6.33022403717041,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3Hg
|
hard_negative
| false
| null | 0
| 0.063806
| -0.043142
| true
|
[
"metallic"
] | null |
mp-975019
|
[
"Rb",
"Cd"
] |
[
37,
37,
37,
48
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.312501907348633,
"b": 6.312501907348633,
"c": 6.312501907348633,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3Cd
|
hard_negative
| false
| null | 0
| 0.066531
| 0.063542
| true
|
[
"metallic"
] | null |
mp-975045
|
[
"Cr",
"Rb"
] |
[
37,
37,
37,
24
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.182837963104248,
"b": 6.182837963104248,
"c": 6.182837963104248,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3Cr
|
hard_negative
| false
| null | 0
| 0.711698
| 0.711698
| true
|
[
"metallic"
] | null |
mp-975051
|
[
"Rb",
"Ag"
] |
[
37,
37,
37,
47
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.136147975921631,
"b": 6.136147975921631,
"c": 6.136147975921631,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3Ag
|
hard_negative
| false
| null | 0
| 0.138862
| 0.138862
| true
|
[
"metallic"
] | null |
mp-975057
|
[
"Rb",
"Dy"
] |
[
37,
37,
37,
66
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 6.3943610191345215,
"b": 6.3943610191345215,
"c": 6.3943610191345215,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3Dy
|
hard_negative
| false
| null | 0
| 0.636716
| 0.636716
| true
|
[
"metallic"
] | null |
mp-975199
|
[
"Rb",
"Sr"
] |
[
37,
38,
38,
38
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.247385025024414,
"b": 6.247385025024414,
"c": 6.247385025024414,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
RbSr3
|
hard_negative
| false
| null | 0
| 0.138702
| 0.138702
| true
|
[
"metallic"
] | null |
mp-975256
|
[
"Ho",
"Hg"
] |
[
67,
67,
67,
80
] | 4
| 2
|
[
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.786948204040527,
"b": 4.786948204040527,
"c": 4.786948204040527,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ho3Hg
|
hard_negative
| false
| null | 0
| 0.094043
| -0.19251
| true
|
[
"metallic"
] | null |
mp-975312
|
[
"F",
"Rb"
] |
[
37,
9,
9,
9
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.152678966522217,
"b": 4.152678966522217,
"c": 4.152678966522217,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
RbF3
|
hard_negative
| false
| null | 0
| 0.345632
| -1.468129
| true
|
[
"halide",
"metallic"
] | null |
mp-975383
|
[
"Ca",
"Rb"
] |
[
37,
20,
20,
20
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.831550121307373,
"b": 5.831550121307373,
"c": 5.831550121307373,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
RbCa3
|
hard_negative
| false
| null | 0
| 0.224791
| 0.224791
| true
|
[
"metallic"
] | null |
mp-975388
|
[
"Nd",
"Dy"
] |
[
60,
66,
66,
66
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 5.064298152923584,
"b": 5.064298152923584,
"c": 5.064298152923584,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NdDy3
|
hard_negative
| false
| null | 0
| 0.039653
| 0.039653
| true
|
[
"metallic"
] | null |
mp-975439
|
[
"S",
"Mn"
] |
[
25,
25,
25,
16
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 3.5784449577331543,
"b": 3.5784449577331543,
"c": 3.5784449577331543,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mn3S
|
hard_negative
| false
| null | 0
| 0.392273
| -0.177906
| true
|
[
"sulfide",
"metallic"
] | null |
mp-975467
|
[
"Mn",
"Hg"
] |
[
25,
25,
25,
80
] | 4
| 2
|
[
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.009811878204346,
"b": 4.009811878204346,
"c": 4.009811878204346,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mn3Hg
|
hard_negative
| false
| null | 0
| 0.427678
| 0.427678
| true
|
[
"metallic"
] | null |
mp-975468
|
[
"Rb",
"Ac"
] |
[
37,
89,
89,
89
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.811893939971924,
"b": 5.811893939971924,
"c": 5.811893939971924,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
RbAc3
|
hard_negative
| false
| null | 0
| 0.38452
| 0.38452
| true
|
[
"metallic"
] | null |
mp-975511
|
[
"In",
"Sb"
] |
[
49,
51,
51,
51
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.806366920471191,
"b": 4.806366920471191,
"c": 4.806366920471191,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
InSb3
|
hard_negative
| false
| null | 0
| 0.150195
| 0.031184
| true
|
[
"metallic"
] | null |
mp-975524
|
[
"Ge",
"In"
] |
[
49,
32,
32,
32
] | 4
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
]
] |
{
"a": 4.3917341232299805,
"b": 4.3917341232299805,
"c": 4.3917341232299805,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
InGe3
|
hard_negative
| false
| null | 0
| 0.282993
| 0.282993
| true
|
[
"metallic"
] | null |
mp-975530
|
[
"Al",
"Rb"
] |
[
37,
13
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.315755844116211,
"b": 4.315755844116211,
"c": 4.315755844116211,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
RbAl
|
hard_negative
| false
| null | 0
| 0.658536
| 0.658536
| true
|
[
"metallic"
] | null |
mp-975606
|
[
"N",
"In"
] |
[
49,
7,
7,
7
] | 4
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0,
0,
0.5
]
] |
{
"a": 3.5203299522399902,
"b": 3.5203299522399902,
"c": 3.5203299522399902,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
InN3
|
hard_negative
| false
| null | 0
| 2.391109
| 2.332259
| true
|
[
"metallic"
] | null |
mp-975611
|
[
"B",
"Ge"
] |
[
32,
32,
32,
5
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.015178203582764,
"b": 4.015178203582764,
"c": 4.015178203582764,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ge3B
|
hard_negative
| false
| null | 0
| 1.008511
| 1.008511
| true
|
[
"metallic"
] | null |
mp-975638
|
[
"Pr",
"Hf"
] |
[
59,
59,
59,
72
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.029516220092773,
"b": 5.029516220092773,
"c": 5.029516220092773,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pr3Hf
|
hard_negative
| false
| null | 0
| 0.212826
| 0.212826
| true
|
[
"metallic"
] | null |
mp-975639
|
[
"Pr",
"Er"
] |
[
59,
59,
59,
68
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.183591842651367,
"b": 5.183591842651367,
"c": 5.183591842651367,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pr3Er
|
hard_negative
| false
| null | 0
| 0.04252
| 0.04252
| true
|
[
"metallic"
] | null |
mp-975664
|
[
"Ge",
"Nd"
] |
[
60,
32,
32,
32
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.399686813354492,
"b": 4.399686813354492,
"c": 4.399686813354492,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NdGe3
|
hard_negative
| false
| null | 0
| 0.095004
| -0.45331
| true
|
[
"metallic"
] | null |
mp-975797
|
[
"Pr",
"Sm"
] |
[
59,
62,
62,
62
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.165121078491211,
"b": 5.165121078491211,
"c": 5.165121078491211,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PrSm3
|
hard_negative
| false
| null | 0
| 0.031312
| 0.031312
| true
|
[
"metallic"
] | null |
mp-975802
|
[
"Sb",
"Pr"
] |
[
59,
51,
51,
51
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.84798002243042,
"b": 4.84798002243042,
"c": 4.84798002243042,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PrSb3
|
hard_negative
| false
| null | 0
| 0.071255
| -0.642843
| true
|
[
"metallic"
] | null |
mp-975994
|
[
"Na",
"La"
] |
[
11,
57,
57,
57
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.256287097930908,
"b": 5.256287097930908,
"c": 5.256287097930908,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaLa3
|
hard_negative
| false
| null | 0
| 0.235418
| 0.235418
| true
|
[
"metallic"
] | null |
mp-976010
|
[
"Li",
"Cr"
] |
[
3,
3,
3,
24
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.177707195281982,
"b": 4.177707195281982,
"c": 4.177707195281982,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Li3Cr
|
hard_negative
| true
| 3
| 0
| 0.388835
| 0.388835
| true
|
[
"li",
"metallic"
] | null |
mp-976061
|
[
"Ge",
"Pr"
] |
[
59,
32,
32,
32
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.424990177154541,
"b": 4.424990177154541,
"c": 4.424990177154541,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PrGe3
|
hard_negative
| false
| null | 0
| 0.102255
| -0.440221
| true
|
[
"metallic"
] | null |
mp-976111
|
[
"Ge",
"Sb"
] |
[
32,
32,
32,
51
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.428207874298096,
"b": 4.428207874298096,
"c": 4.428207874298096,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ge3Sb
|
hard_negative
| false
| null | 0
| 0.285103
| 0.285103
| true
|
[
"metallic"
] | null |
mp-976138
|
[
"Pr",
"Dy"
] |
[
59,
66,
66,
66
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.077390193939209,
"b": 5.077390193939209,
"c": 5.077390193939209,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PrDy3
|
hard_negative
| false
| null | 0
| 0.046118
| 0.046118
| true
|
[
"metallic"
] | null |
mp-976147
|
[
"Pr",
"Er"
] |
[
59,
68,
68,
68
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.044950485229492,
"b": 5.044950485229492,
"c": 5.044950485229492,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PrEr3
|
hard_negative
| false
| null | 0
| 0.062344
| 0.062344
| true
|
[
"metallic"
] | null |
mp-976254
|
[
"Li",
"Mg"
] |
[
3,
3,
3,
12
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.303442001342773,
"b": 4.303442001342773,
"c": 4.303442001342773,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Li3Mg
|
hard_negative
| true
| 3
| 0
| 0.015599
| -0.010508
| true
|
[
"li",
"metallic"
] | null |
mp-976319
|
[
"Na",
"Ho"
] |
[
11,
67,
67,
67
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.005562782287598,
"b": 5.005562782287598,
"c": 5.005562782287598,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaHo3
|
hard_negative
| false
| null | 0
| 0.327083
| 0.327083
| true
|
[
"metallic"
] | null |
mp-976358
|
[
"Al",
"Nd"
] |
[
60,
60,
60,
13
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.8812947273254395,
"b": 4.8812947273254395,
"c": 4.8812947273254395,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Nd3Al
|
hard_negative
| false
| null | 0
| 0.023286
| -0.205759
| true
|
[
"metallic"
] | null |
mp-976420
|
[
"Nd",
"Ho"
] |
[
60,
60,
60,
67
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.152440071105957,
"b": 5.152440071105957,
"c": 5.152440071105957,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Nd3Ho
|
hard_negative
| false
| null | 0
| 0.029786
| 0.029786
| true
|
[
"metallic"
] | null |
mp-976424
|
[
"Li",
"La"
] |
[
3,
57,
57,
57
] | 4
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
]
] |
{
"a": 5.1160688400268555,
"b": 5.1160688400268555,
"c": 5.1160688400268555,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiLa3
|
hard_negative
| true
| 1
| 0
| 0.147728
| 0.147728
| true
|
[
"li",
"metallic"
] | null |
mp-976588
|
[
"Ho",
"Th"
] |
[
67,
90,
90,
90
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.043817520141602,
"b": 5.043817520141602,
"c": 5.043817520141602,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
HoTh3
|
hard_negative
| false
| null | 0
| 0.047281
| 0.047281
| true
|
[
"metallic"
] | null |
mp-976589
|
[
"Na",
"In"
] |
[
11,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.6479811668396,
"b": 4.6479811668396,
"c": 4.6479811668396,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaIn3
|
hard_negative
| false
| null | 0
| 0
| -0.155756
| true
|
[
"metallic"
] | null |
mp-976592
|
[
"K",
"Ag"
] |
[
19,
19,
19,
47
] | 4
| 2
|
[
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 5.777751922607422,
"b": 5.777751922607422,
"c": 5.777751922607422,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Ag
|
hard_negative
| false
| null | 0
| 0.115102
| 0.115102
| true
|
[
"metallic"
] | null |
mp-976599
|
[
"Li",
"Hg"
] |
[
3,
80,
80,
80
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.427295684814453,
"b": 4.427295684814453,
"c": 4.427295684814453,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiHg3
|
hard_negative
| true
| 1
| 0
| 0.029448
| -0.171364
| true
|
[
"li",
"metallic"
] | null |
mp-976725
|
[
"Hf",
"Au"
] |
[
72,
72,
72,
79
] | 4
| 2
|
[
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.350654125213623,
"b": 4.350654125213623,
"c": 4.350654125213623,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Hf3Au
|
hard_negative
| false
| null | 0
| 0.142958
| -0.216162
| true
|
[
"metallic"
] | null |
mp-976772
|
[
"Ni",
"Ag"
] |
[
28,
47,
47,
47
] | 4
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
]
] |
{
"a": 4.009029865264893,
"b": 4.009029865264893,
"c": 4.009029865264893,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NiAg3
|
hard_negative
| false
| null | 0
| 0.189641
| 0.189641
| true
|
[
"metallic"
] | null |
mp-976784
|
[
"Ni",
"Au"
] |
[
28,
79,
79,
79
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.028168201446533,
"b": 4.028168201446533,
"c": 4.028168201446533,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NiAu3
|
hard_negative
| false
| null | 0
| 0.088921
| 0.088921
| true
|
[
"metallic"
] | null |
mp-976799
|
[
"Ni",
"Bi"
] |
[
28,
28,
28,
83
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 3.822006940841675,
"b": 3.822006940841675,
"c": 3.822006940841675,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ni3Bi
|
hard_negative
| false
| null | 0
| 0.17344
| 0.17344
| true
|
[
"metallic"
] | null |
mp-976830
|
[
"Ni",
"Pb"
] |
[
28,
28,
28,
82
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 3.8085060119628906,
"b": 3.8085060119628906,
"c": 3.8085060119628906,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ni3Pb
|
hard_negative
| false
| null | 0
| 0.138669
| 0.138669
| true
|
[
"metallic"
] | null |
mp-976847
|
[
"Ni",
"Sb"
] |
[
28,
28,
28,
51
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 3.69148325920105,
"b": 3.69148325920105,
"c": 3.69148325920105,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ni3Sb
|
hard_negative
| false
| null | 0
| 0.044903
| -0.08221
| true
|
[
"metallic"
] | null |
mp-976856
|
[
"Na",
"Mg"
] |
[
11,
12,
12,
12
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.673526763916016,
"b": 4.673526763916016,
"c": 4.673526763916016,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaMg3
|
hard_negative
| false
| null | 0
| 0.120918
| 0.120918
| true
|
[
"metallic"
] | null |
mp-976872
|
[
"Na",
"Ni"
] |
[
11,
28,
28,
28
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.7032299041748047,
"b": 3.7032299041748047,
"c": 3.7032299041748047,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaNi3
|
hard_negative
| false
| null | 0
| 0.516445
| 0.516445
| true
|
[
"metallic"
] | null |
mp-976903
|
[
"Na",
"Nd"
] |
[
11,
60,
60,
60
] | 4
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
]
] |
{
"a": 5.180249214172363,
"b": 5.180249214172363,
"c": 5.180249214172363,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaNd3
|
hard_negative
| false
| null | 0
| 0.247342
| 0.247342
| true
|
[
"metallic"
] | null |
mp-976949
|
[
"In",
"Lu"
] |
[
71,
71,
71,
49
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.71722412109375,
"b": 4.71722412109375,
"c": 4.71722412109375,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Lu3In
|
hard_negative
| false
| null | 0
| 0.016918
| -0.313817
| true
|
[
"metallic"
] | null |
mp-977
|
[
"In",
"Lu"
] |
[
71,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.573917865753174,
"b": 4.573917865753174,
"c": 4.573917865753174,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LuIn3
|
hard_negative
| false
| null | 0
| 0
| -0.430422
| true
|
[
"metallic"
] | null |
mp-977212
|
[
"Mn",
"Np"
] |
[
93,
25,
25,
25
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.7226150035858154,
"b": 3.7226150035858154,
"c": 3.7226150035858154,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NpMn3
|
hard_negative
| false
| null | 0
| 0.227158
| 0.227158
| true
|
[
"metallic"
] | null |
mp-977224
|
[
"As",
"Pr"
] |
[
59,
33,
33,
33
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.468614101409912,
"b": 4.468614101409912,
"c": 4.468614101409912,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PrAs3
|
hard_negative
| false
| null | 0
| 0.216634
| -0.6634
| true
|
[
"metallic"
] | null |
mp-977275
|
[
"Lu",
"Bi"
] |
[
71,
83,
83,
83
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.940446853637695,
"b": 4.940446853637695,
"c": 4.940446853637695,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LuBi3
|
hard_negative
| false
| null | 0
| 0.139924
| -0.320285
| true
|
[
"metallic"
] | null |
mp-977310
|
[
"Os",
"Au"
] |
[
76,
79,
79,
79
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.090435981750488,
"b": 4.090435981750488,
"c": 4.090435981750488,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
OsAu3
|
hard_negative
| false
| null | 0
| 0.689012
| 0.689012
| true
|
[
"metallic"
] | null |
mp-977552
|
[
"Be",
"Tc"
] |
[
4,
4,
4,
43
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 3.370655059814453,
"b": 3.370655059814453,
"c": 3.370655059814453,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Be3Tc
|
hard_negative
| false
| null | 0
| 0
| -0.266573
| true
|
[
"metallic"
] | null |
mp-977573
|
[
"H",
"Hf"
] |
[
72,
1,
1,
1
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.0845539569854736,
"b": 3.0845539569854736,
"c": 3.0845539569854736,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
HfH3
|
hard_negative
| false
| null | 0
| 0.094247
| -0.312449
| true
|
[
"metallic"
] | null |
mp-977585
|
[
"Zr",
"Tl"
] |
[
40,
40,
40,
81
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.473899841308594,
"b": 4.473899841308594,
"c": 4.473899841308594,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Zr3Tl
|
hard_negative
| false
| null | 0
| 0
| -0.15851
| true
|
[
"metallic"
] | null |
mp-977997
|
[
"Zn",
"Mo"
] |
[
30,
42,
42,
42
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.9431540966033936,
"b": 3.9431540966033936,
"c": 3.9431540966033936,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
ZnMo3
|
hard_negative
| false
| null | 0
| 0.187306
| 0.177241
| true
|
[
"metallic"
] | null |
mp-978034
|
[
"Rb",
"Sm"
] |
[
37,
37,
37,
62
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.4310407638549805,
"b": 6.4310407638549805,
"c": 6.4310407638549805,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3Sm
|
hard_negative
| false
| null | 0
| 0.610433
| 0.610433
| true
|
[
"metallic"
] | null |
mp-978094
|
[
"Nd",
"Ho"
] |
[
60,
67,
67,
67
] | 4
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0,
0,
0.5
]
] |
{
"a": 5.046106815338135,
"b": 5.046106815338135,
"c": 5.046106815338135,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NdHo3
|
hard_negative
| false
| null | 0
| 0.045882
| 0.045882
| true
|
[
"metallic"
] | null |
mp-978271
|
[
"Mg",
"Al"
] |
[
12,
12,
12,
13
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.347805976867676,
"b": 4.347805976867676,
"c": 4.347805976867676,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mg3Al
|
hard_negative
| false
| null | 0
| 0.027507
| 0.02187
| true
|
[
"metallic"
] | null |
mp-978273
|
[
"Mg",
"Cd"
] |
[
12,
12,
12,
48
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.406082630157471,
"b": 4.406082630157471,
"c": 4.406082630157471,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mg3Cd
|
hard_negative
| false
| null | 0
| 0.017592
| -0.033276
| true
|
[
"metallic"
] | null |
mp-978281
|
[
"Mg",
"Ga"
] |
[
12,
12,
12,
31
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.304657936096191,
"b": 4.304657936096191,
"c": 4.304657936096191,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mg3Ga
|
hard_negative
| false
| null | 0
| 0.031656
| -0.062135
| true
|
[
"metallic"
] | null |
mp-978282
|
[
"Mg",
"Hg"
] |
[
12,
12,
12,
80
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.354844570159912,
"b": 4.354844570159912,
"c": 4.354844570159912,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mg3Hg
|
hard_negative
| false
| null | 0
| 0.017491
| -0.114536
| true
|
[
"metallic"
] | null |
mp-978286
|
[
"Mg",
"Mn"
] |
[
12,
12,
12,
25
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.297571182250977,
"b": 4.297571182250977,
"c": 4.297571182250977,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mg3Mn
|
hard_negative
| false
| null | 0
| 0.202877
| 0.202877
| true
|
[
"metallic"
] | null |
mp-978287
|
[
"Mg",
"Mo"
] |
[
12,
12,
12,
42
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.200631141662598,
"b": 4.200631141662598,
"c": 4.200631141662598,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mg3Mo
|
hard_negative
| false
| null | 0
| 0.328074
| 0.328074
| true
|
[
"metallic"
] | null |
mp-978294
|
[
"Mg",
"Sn"
] |
[
12,
12,
12,
50
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.445864200592041,
"b": 4.445864200592041,
"c": 4.445864200592041,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mg3Sn
|
hard_negative
| false
| null | 0
| 0.009186
| -0.116138
| true
|
[
"metallic"
] | null |
mp-978303
|
[
"Mg",
"Re"
] |
[
12,
12,
12,
75
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.154726982116699,
"b": 4.154726982116699,
"c": 4.154726982116699,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mg3Re
|
hard_negative
| false
| null | 0
| 0.435675
| 0.435675
| true
|
[
"metallic"
] | null |
mp-978304
|
[
"Mg",
"Ta"
] |
[
12,
12,
12,
73
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.299130916595459,
"b": 4.299130916595459,
"c": 4.299130916595459,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mg3Ta
|
hard_negative
| false
| null | 0
| 0.37851
| 0.37851
| true
|
[
"metallic"
] | null |
mp-978494
|
[
"Si",
"Sn"
] |
[
14,
50,
50,
50
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.649621963500977,
"b": 4.649621963500977,
"c": 4.649621963500977,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SiSn3
|
hard_negative
| false
| null | 0
| 0.321229
| 0.321229
| true
|
[
"metallic"
] | null |
mp-978498
|
[
"Al",
"Sc"
] |
[
21,
21,
21,
13
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.431987762451172,
"b": 4.431987762451172,
"c": 4.431987762451172,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Sc3Al
|
hard_negative
| false
| null | 0
| 0.052204
| -0.236614
| true
|
[
"metallic"
] | null |
mp-978502
|
[
"As",
"Sm"
] |
[
62,
33,
33,
33
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.413215160369873,
"b": 4.413215160369873,
"c": 4.413215160369873,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SmAs3
|
hard_negative
| false
| null | 0
| 0.23479
| -0.664624
| true
|
[
"metallic"
] | null |
mp-978507
|
[
"Sm",
"Th"
] |
[
62,
90,
90,
90
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.066200256347656,
"b": 5.066200256347656,
"c": 5.066200256347656,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SmTh3
|
hard_negative
| false
| null | 0
| 0.056628
| 0.056628
| true
|
[
"metallic"
] | null |
mp-978511
|
[
"Sm",
"Pa"
] |
[
62,
91,
91,
91
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.726049900054932,
"b": 4.726049900054932,
"c": 4.726049900054932,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SmPa3
|
hard_negative
| false
| null | 0
| 0.229811
| 0.229811
| true
|
[
"metallic"
] | null |
mp-978514
|
[
"Sm",
"Tm"
] |
[
62,
69,
69,
69
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.985307693481445,
"b": 4.985307693481445,
"c": 4.985307693481445,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SmTm3
|
hard_negative
| false
| null | 0
| 0.049771
| 0.049771
| true
|
[
"metallic"
] | null |
mp-978797
|
[
"Sm",
"Hf"
] |
[
62,
62,
62,
72
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.943366050720215,
"b": 4.943366050720215,
"c": 4.943366050720215,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Sm3Hf
|
hard_negative
| false
| null | 0
| 0.174897
| 0.174897
| true
|
[
"metallic"
] | null |
mp-978802
|
[
"Pd",
"Sm"
] |
[
62,
62,
62,
46
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.791423797607422,
"b": 4.791423797607422,
"c": 4.791423797607422,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Sm3Pd
|
hard_negative
| false
| null | 0
| 0.278154
| -0.164024
| true
|
[
"metallic"
] | null |
mp-978823
|
[
"Y",
"Sm"
] |
[
62,
39,
39,
39
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.1104278564453125,
"b": 5.1104278564453125,
"c": 5.1104278564453125,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SmY3
|
hard_negative
| false
| null | 0
| 0.073487
| 0.073487
| true
|
[
"metallic"
] | null |
mp-978855
|
[
"B",
"Sn"
] |
[
50,
50,
50,
5
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.528903961181641,
"b": 4.528903961181641,
"c": 4.528903961181641,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Sn3B
|
hard_negative
| false
| null | 0
| 0.931044
| 0.931044
| true
|
[
"metallic"
] | null |
mp-978949
|
[
"Sm",
"Ho"
] |
[
62,
62,
62,
67
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.099170207977295,
"b": 5.099170207977295,
"c": 5.099170207977295,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Sm3Ho
|
hard_negative
| false
| null | 0
| 0.035891
| 0.034443
| true
|
[
"metallic"
] | null |
mp-978962
|
[
"Fe",
"Tl"
] |
[
81,
81,
81,
26
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.561445236206055,
"b": 4.561445236206055,
"c": 4.561445236206055,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Tl3Fe
|
hard_negative
| false
| null | 0
| 0.599867
| 0.599867
| true
|
[
"metallic"
] | null |
mp-978964
|
[
"Mg",
"Th"
] |
[
90,
90,
90,
12
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.964192867279053,
"b": 4.964192867279053,
"c": 4.964192867279053,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Th3Mg
|
hard_negative
| false
| null | 0
| 0.073931
| 0.073931
| true
|
[
"metallic"
] | null |
mp-978994
|
[
"Tm",
"Pa"
] |
[
69,
91,
91,
91
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.706553936004639,
"b": 4.706553936004639,
"c": 4.706553936004639,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
TmPa3
|
hard_negative
| false
| null | 0
| 0.163323
| 0.163323
| true
|
[
"metallic"
] | null |
mp-979009
|
[
"Be",
"Th"
] |
[
90,
90,
90,
4
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.780995845794678,
"b": 4.780995845794678,
"c": 4.780995845794678,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Th3Be
|
hard_negative
| false
| null | 0
| 0.33371
| 0.29143
| true
|
[
"metallic"
] | null |
mp-979039
|
[
"Au",
"Th"
] |
[
90,
90,
90,
79
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.858137130737305,
"b": 4.858137130737305,
"c": 4.858137130737305,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Th3Au
|
hard_negative
| false
| null | 0
| 0.184807
| -0.130616
| true
|
[
"metallic"
] | null |
mp-979114
|
[
"Th",
"U"
] |
[
90,
90,
90,
92
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.926054000854492,
"b": 4.926054000854492,
"c": 4.926054000854492,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Th3U
|
hard_negative
| false
| null | 0
| 0.244765
| 0.244765
| true
|
[
"metallic"
] | null |
mp-979253
|
[
"Sm",
"Tm"
] |
[
62,
62,
62,
69
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.085572719573975,
"b": 5.085572719573975,
"c": 5.085572719573975,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Sm3Tm
|
hard_negative
| false
| null | 0
| 0.034467
| 0.034467
| true
|
[
"metallic"
] | null |
mp-979269
|
[
"Cd",
"Tl"
] |
[
81,
81,
81,
48
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.837151527404785,
"b": 4.837151527404785,
"c": 4.837151527404785,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Tl3Cd
|
hard_negative
| false
| null | 0
| 0.071453
| 0.071453
| true
|
[
"metallic"
] | null |
mp-979412
|
[
"B",
"Th"
] |
[
90,
90,
90,
5
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.660912036895752,
"b": 4.660912036895752,
"c": 4.660912036895752,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Th3B
|
hard_negative
| false
| null | 0
| 0.736521
| 0.533331
| true
|
[
"metallic"
] | null |
mp-979419
|
[
"Y",
"Dy"
] |
[
66,
66,
66,
39
] | 4
| 2
|
[
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 5.040025234222412,
"b": 5.040025234222412,
"c": 5.040025234222412,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Dy3Y
|
hard_negative
| false
| null | 0
| 0.057983
| 0.057921
| true
|
[
"metallic"
] | null |
mp-979423
|
[
"Ga",
"Y"
] |
[
39,
31,
31,
31
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.2550578117370605,
"b": 4.2550578117370605,
"c": 4.2550578117370605,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
YGa3
|
hard_negative
| false
| null | 0
| 0.049636
| -0.52709
| true
|
[
"metallic"
] | null |
mp-979936
|
[
"Rb",
"Yb"
] |
[
37,
70,
70,
70
] | 4
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
]
] |
{
"a": 5.238182544708252,
"b": 5.238182544708252,
"c": 5.238182544708252,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
RbYb3
|
hard_negative
| false
| null | 0
| 0.721163
| 0.721163
| true
|
[
"metallic"
] | null |
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