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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