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-1185935
|
[
"Mn",
"Os"
] |
[
25,
25,
25,
25,
25,
25,
76,
76
] | 8
| 2
|
[
[
0.16230933368206024,
0.3246186673641205,
0.25
],
[
0.16230933368206024,
0.8376906514167786,
0.25
],
[
0.6753813624382019,
0.8376906514167786,
0.25
],
[
0.8376906514167786,
0.6753813624382019,
0.75
],
[
0.8376906514167786,
0.16230933368206024,
0.75
],
[
0.3246186673641205,
0.16230933368206024,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 5.097745418548584,
"b": 5.097745418548584,
"c": 4.054177761077881,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Mn3Os
|
hard_negative
| false
| null | 0
| 0.257254
| 0.257254
| true
|
[
"metallic"
] | null |
mp-1185939
|
[
"Mg",
"Pd"
] |
[
12,
12,
46,
46,
46,
46,
46,
46
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.33309176564216614,
0.16654588282108307,
0.75
],
[
0.8334541320800781,
0.6669082045555115,
0.75
],
[
0.8334541320800781,
0.16654588282108307,
0.75
],
[
0.16654588282108307,
0.8334541320800781,
0.25
],
[
0.16654588282108307,
0.33309176564216614,
0.25
],
[
0.6669082045555115,
0.8334541320800781,
0.25
]
] |
{
"a": 5.591598987579346,
"b": 5.591598987579346,
"c": 4.517972469329834,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
MgPd3
|
hard_negative
| false
| null | 0
| 0.023471
| -0.465147
| true
|
[
"metallic"
] | null |
mp-1185955
|
[
"Mg",
"Pb"
] |
[
12,
12,
82,
82,
82,
82
] | 6
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.5931218266487122
],
[
0.6666666865348816,
0.3333333432674408,
0.9068781733512878
],
[
0.3333333432674408,
0.6666666865348816,
0.09312184154987335
],
[
0.3333333432674408,
0.6666666865348816,
0.40687817335128784
]
] |
{
"a": 3.5297598838806152,
"b": 3.5297598838806152,
"c": 15.690342903137207,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
MgPb2
|
hard_negative
| false
| null | 0
| 0.020114
| 0.001927
| true
|
[
"metallic"
] | null |
mp-1185967
|
[
"Mg",
"Si"
] |
[
12,
12,
14,
14,
14,
14,
14,
14
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.30618399381637573,
0.15309199690818787,
0.75
],
[
0.8469079732894897,
0.6938160061836243,
0.75
],
[
0.8469079732894897,
0.15309199690818787,
0.75
],
[
0.15309199690818787,
0.8469079732894897,
0.25
],
[
0.15309199690818787,
0.30618399381637573,
0.25
],
[
0.6938160061836243,
0.8469079732894897,
0.25
]
] |
{
"a": 5.659313678741455,
"b": 5.659313678741455,
"c": 4.717957973480225,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
MgSi3
|
hard_negative
| false
| null | 0
| 0.407266
| 0.366541
| true
|
[
"metallic"
] | null |
mp-1185970
|
[
"Mn",
"Co"
] |
[
25,
25,
25,
25,
25,
25,
27,
27
] | 8
| 2
|
[
[
0.32478299736976624,
0.16239149868488312,
0.75
],
[
0.8376085162162781,
0.16239149868488312,
0.75
],
[
0.8376085162162781,
0.6752169728279114,
0.75
],
[
0.6752169728279114,
0.8376085162162781,
0.25
],
[
0.16239149868488312,
0.8376085162162781,
0.25
],
[
0.16239149868488312,
0.32478299736976624,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 4.974267959594727,
"b": 4.974267959594727,
"c": 3.95330810546875,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Mn3Co
|
hard_negative
| false
| null | 0
| 0
| -0.009799
| true
|
[
"metallic"
] | null |
mp-1185974
|
[
"Mg",
"Pb"
] |
[
12,
12,
82,
82,
82,
82,
82,
82
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.337811142206192,
0.168905571103096,
0.75
],
[
0.8310944437980652,
0.6621888279914856,
0.75
],
[
0.8310944437980652,
0.168905571103096,
0.75
],
[
0.168905571103096,
0.8310944437980652,
0.25
],
[
0.168905571103096,
0.337811142206192,
0.25
],
[
0.6621888279914856,
0.8310944437980652,
0.25
]
] |
{
"a": 6.718574523925781,
"b": 6.718574523925781,
"c": 5.91816520690918,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
MgPb3
|
hard_negative
| false
| null | 0
| 0.054203
| 0.040563
| true
|
[
"metallic"
] | null |
mp-1185988
|
[
"Mn",
"Te"
] |
[
25,
25,
25,
25,
25,
25,
52,
52
] | 8
| 2
|
[
[
0.30430400371551514,
0.15215200185775757,
0.75
],
[
0.8478479981422424,
0.15215200185775757,
0.75
],
[
0.8478479981422424,
0.6956959962844849,
0.75
],
[
0.6956959962844849,
0.8478479981422424,
0.25
],
[
0.15215200185775757,
0.8478479981422424,
0.25
],
[
0.15215200185775757,
0.30430400371551514,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 5.437111854553223,
"b": 5.437111854553223,
"c": 4.3657732009887695,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Mn3Te
|
hard_negative
| false
| null | 0
| 0.299071
| -0.006664
| true
|
[
"metallic"
] | null |
mp-1185998
|
[
"Mg",
"Ta"
] |
[
12,
12,
73,
73,
73,
73,
73,
73
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.32476699352264404,
0.16238349676132202,
0.75
],
[
0.837616503238678,
0.675233006477356,
0.75
],
[
0.837616503238678,
0.16238349676132202,
0.75
],
[
0.16238349676132202,
0.837616503238678,
0.25
],
[
0.16238349676132202,
0.32476699352264404,
0.25
],
[
0.675233006477356,
0.837616503238678,
0.25
]
] |
{
"a": 5.951675891876221,
"b": 5.951675891876221,
"c": 4.837396144866943,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
MgTa3
|
hard_negative
| false
| null | 0
| 0.311402
| 0.311402
| true
|
[
"metallic"
] | null |
mp-1186008
|
[
"Na",
"Tc"
] |
[
11,
11,
11,
11,
11,
11,
43,
43
] | 8
| 2
|
[
[
0.3512539863586426,
0.1756269931793213,
0.75
],
[
0.8243730068206787,
0.1756269931793213,
0.75
],
[
0.8243730068206787,
0.6487460136413574,
0.75
],
[
0.6487460136413574,
0.8243730068206787,
0.25
],
[
0.1756269931793213,
0.8243730068206787,
0.25
],
[
0.1756269931793213,
0.3512539863586426,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.682005405426025,
"b": 6.682005405426025,
"c": 5.48332405090332,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Tc
|
hard_negative
| false
| null | 0
| 0.990327
| 0.990327
| true
|
[
"metallic"
] | null |
mp-1186010
|
[
"Mn",
"Au"
] |
[
25,
25,
79,
79,
79,
79,
79,
79
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3374127745628357,
0.16870638728141785,
0.75
],
[
0.8312935829162598,
0.16870638728141785,
0.75
],
[
0.8312935829162598,
0.6625872254371643,
0.75
],
[
0.6625872254371643,
0.8312935829162598,
0.25
],
[
0.16870638728141785,
0.8312935829162598,
0.25
],
[
0.16870638728141785,
0.3374127745628357,
0.25
]
] |
{
"a": 5.766391754150391,
"b": 5.766391754150391,
"c": 4.744373321533203,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
MnAu3
|
hard_negative
| false
| null | 0
| 0.026794
| -0.256872
| true
|
[
"metallic"
] | null |
mp-1186013
|
[
"Mn",
"Pd"
] |
[
25,
25,
46,
46,
46,
46,
46,
46
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.8325287103652954,
0.1674712747335434,
0.75
],
[
0.3349425494670868,
0.1674712747335434,
0.75
],
[
0.8325287103652954,
0.6650574207305908,
0.75
],
[
0.6650574207305908,
0.8325287103652954,
0.25
],
[
0.1674712747335434,
0.8325287103652954,
0.25
],
[
0.1674712747335434,
0.3349425494670868,
0.25
]
] |
{
"a": 5.53814172744751,
"b": 5.53814172744751,
"c": 4.504098415374756,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
MnPd3
|
hard_negative
| false
| null | 0
| 0.014686
| -0.214252
| true
|
[
"metallic"
] | null |
mp-1186030
|
[
"Na",
"Au"
] |
[
11,
11,
11,
11,
11,
11,
79,
79
] | 8
| 2
|
[
[
0.3557564318180084,
0.1778782159090042,
0.75
],
[
0.822121798992157,
0.1778782159090042,
0.75
],
[
0.822121798992157,
0.644243597984314,
0.75
],
[
0.644243597984314,
0.822121798992157,
0.25
],
[
0.1778782159090042,
0.822121798992157,
0.25
],
[
0.1778782159090042,
0.3557564318180084,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.60706090927124,
"b": 6.60706090927124,
"c": 5.197093486785889,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Au
|
hard_negative
| false
| null | 0
| 0.045094
| -0.177895
| true
|
[
"metallic"
] | null |
mp-1186033
|
[
"Na",
"Ag"
] |
[
11,
11,
11,
11,
11,
11,
47,
47
] | 8
| 2
|
[
[
0.3539894223213196,
0.1769947111606598,
0.75
],
[
0.8230053186416626,
0.1769947111606598,
0.75
],
[
0.8230053186416626,
0.6460105776786804,
0.75
],
[
0.6460105776786804,
0.8230053186416626,
0.25
],
[
0.1769947111606598,
0.8230053186416626,
0.25
],
[
0.1769947111606598,
0.3539894223213196,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.797956466674805,
"b": 6.797956466674805,
"c": 5.368847370147705,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Ag
|
hard_negative
| false
| null | 0
| 0.08078
| 0.051311
| true
|
[
"metallic"
] | null |
mp-1186035
|
[
"Tc",
"Nd"
] |
[
60,
60,
43,
43,
43,
43,
43,
43
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.13089899718761444,
0.2617979943752289,
0.25
],
[
0.13089899718761444,
0.8691009879112244,
0.25
],
[
0.7382019758224487,
0.8691009879112244,
0.25
],
[
0.8691009879112244,
0.7382019758224487,
0.75
],
[
0.8691009879112244,
0.13089899718761444,
0.75
],
[
0.2617979943752289,
0.13089899718761444,
0.75
]
] |
{
"a": 6.735630035400391,
"b": 6.735630035400391,
"c": 4.17910623550415,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NdTc3
|
hard_negative
| false
| null | 0
| 0.374625
| 0.374625
| true
|
[
"metallic"
] | null |
mp-1186038
|
[
"Na",
"Dy"
] |
[
11,
11,
11,
11,
11,
11,
66,
66
] | 8
| 2
|
[
[
0.3259280025959015,
0.16296400129795074,
0.75
],
[
0.8370360136032104,
0.16296400129795074,
0.75
],
[
0.8370360136032104,
0.6740720272064209,
0.75
],
[
0.6740720272064209,
0.8370360136032104,
0.25
],
[
0.16296400129795074,
0.8370360136032104,
0.25
],
[
0.16296400129795074,
0.3259280025959015,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.287412643432617,
"b": 7.287412643432617,
"c": 5.848237037658691,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Dy
|
hard_negative
| false
| null | 0
| 0.376642
| 0.376642
| true
|
[
"metallic"
] | null |
mp-1186042
|
[
"Na",
"Ca"
] |
[
11,
11,
11,
11,
11,
11,
20,
20
] | 8
| 2
|
[
[
0.3252074420452118,
0.1626037210226059,
0.75
],
[
0.8373962640762329,
0.1626037210226059,
0.75
],
[
0.8373962640762329,
0.6747925877571106,
0.75
],
[
0.6747925877571106,
0.8373962640762329,
0.25
],
[
0.1626037210226059,
0.8373962640762329,
0.25
],
[
0.1626037210226059,
0.3252074420452118,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.619839668273926,
"b": 7.619839668273926,
"c": 6.1758270263671875,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Ca
|
hard_negative
| false
| null | 0
| 0.073742
| 0.073742
| true
|
[
"metallic"
] | null |
mp-1186048
|
[
"Na",
"Fe"
] |
[
11,
11,
11,
11,
11,
11,
26,
26
] | 8
| 2
|
[
[
0.3493820130825043,
0.17469100654125214,
0.75
],
[
0.8253089785575867,
0.17469100654125214,
0.75
],
[
0.8253089785575867,
0.6506180167198181,
0.75
],
[
0.6506180167198181,
0.8253089785575867,
0.25
],
[
0.17469100654125214,
0.8253089785575867,
0.25
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[
0.17469100654125214,
0.3493820130825043,
0.25
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[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.932831764221191,
"b": 6.932831764221191,
"c": 5.395952224731445,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Fe
|
hard_negative
| false
| null | 0
| 0.685477
| 0.685477
| true
|
[
"metallic"
] | null |
mp-1186054
|
[
"Na",
"Ga"
] |
[
11,
11,
11,
11,
11,
11,
31,
31
] | 8
| 2
|
[
[
0.34825998544692993,
0.17412999272346497,
0.75
],
[
0.8258699774742126,
0.17412999272346497,
0.75
],
[
0.8258699774742126,
0.6517400145530701,
0.75
],
[
0.6517400145530701,
0.8258699774742126,
0.25
],
[
0.17412999272346497,
0.8258699774742126,
0.25
],
[
0.17412999272346497,
0.34825998544692993,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.868083953857422,
"b": 6.868083953857422,
"c": 5.6737260818481445,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Ga
|
hard_negative
| false
| null | 0
| 0.112102
| 0.047018
| true
|
[
"metallic"
] | null |
mp-1186056
|
[
"Na",
"Mg"
] |
[
11,
11,
11,
11,
11,
11,
12,
12
] | 8
| 2
|
[
[
0.3432160019874573,
0.17160800099372864,
0.75
],
[
0.8283920288085938,
0.6567839980125427,
0.75
],
[
0.8283920288085938,
0.17160800099372864,
0.75
],
[
0.17160800099372864,
0.8283920288085938,
0.25
],
[
0.17160800099372864,
0.3432160019874573,
0.25
],
[
0.6567839980125427,
0.8283920288085938,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 7.260586261749268,
"b": 7.260586261749268,
"c": 5.712296009063721,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Mg
|
hard_negative
| false
| null | 0
| 0.090831
| 0.090831
| true
|
[
"metallic"
] | null |
mp-1186057
|
[
"Na",
"Hf"
] |
[
11,
11,
11,
11,
11,
11,
72,
72
] | 8
| 2
|
[
[
0.33573800325393677,
0.16786900162696838,
0.75
],
[
0.832131028175354,
0.16786900162696838,
0.75
],
[
0.832131028175354,
0.6642619967460632,
0.75
],
[
0.6642619967460632,
0.832131028175354,
0.25
],
[
0.16786900162696838,
0.832131028175354,
0.25
],
[
0.16786900162696838,
0.33573800325393677,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.926473617553711,
"b": 6.926473617553711,
"c": 5.6497578620910645,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Hf
|
hard_negative
| false
| null | 0
| 0.887242
| 0.887242
| true
|
[
"metallic"
] | null |
mp-1186058
|
[
"Na",
"Hg"
] |
[
11,
11,
11,
11,
11,
11,
80,
80
] | 8
| 2
|
[
[
0.35039517283439636,
0.17519758641719818,
0.75
],
[
0.8248023986816406,
0.17519758641719818,
0.75
],
[
0.8248023986816406,
0.6496047973632812,
0.75
],
[
0.6496047973632812,
0.8248023986816406,
0.25
],
[
0.17519758641719818,
0.8248023986816406,
0.25
],
[
0.17519758641719818,
0.35039517283439636,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.928682327270508,
"b": 6.928682327270508,
"c": 5.4425883293151855,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Hg
|
hard_negative
| false
| null | 0
| 0.013812
| -0.137826
| true
|
[
"metallic"
] | null |
mp-1186060
|
[
"Mn",
"Os"
] |
[
25,
25,
76,
76,
76,
76,
76,
76
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8305412530899048,
0.16945874691009521,
0.75
],
[
0.33891749382019043,
0.16945874691009521,
0.75
],
[
0.6610825061798096,
0.8305412530899048,
0.25
],
[
0.16945874691009521,
0.8305412530899048,
0.25
],
[
0.8305412530899048,
0.6610825061798096,
0.75
],
[
0.16945874691009521,
0.33891749382019043,
0.25
]
] |
{
"a": 5.413668632507324,
"b": 5.413668632507324,
"c": 4.268157482147217,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
MnOs3
|
hard_negative
| false
| null | 0
| 0.018094
| 0.018094
| true
|
[
"metallic"
] | null |
mp-1186063
|
[
"Mn",
"Co"
] |
[
25,
25,
27,
27,
27,
27,
27,
27
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3357270061969757,
0.16786350309848785,
0.75
],
[
0.8321365118026733,
0.16786350309848785,
0.75
],
[
0.8321365118026733,
0.6642730236053467,
0.75
],
[
0.6642730236053467,
0.8321365118026733,
0.25
],
[
0.16786350309848785,
0.8321365118026733,
0.25
],
[
0.16786350309848785,
0.3357270061969757,
0.25
]
] |
{
"a": 4.9303436279296875,
"b": 4.9303436279296875,
"c": 3.9507639408111572,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
MnCo3
|
hard_negative
| false
| null | 0
| 0.10216
| 0.095506
| true
|
[
"metallic"
] | null |
mp-1186071
|
[
"Na",
"Os"
] |
[
11,
11,
11,
11,
11,
11,
76,
76
] | 8
| 2
|
[
[
0.8219199776649475,
0.1780800074338913,
0.75
],
[
0.3561600148677826,
0.1780800074338913,
0.75
],
[
0.8219199776649475,
0.6438400149345398,
0.75
],
[
0.1780800074338913,
0.8219199776649475,
0.25
],
[
0.6438400149345398,
0.8219199776649475,
0.25
],
[
0.1780800074338913,
0.3561600148677826,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.440542221069336,
"b": 6.440542221069336,
"c": 5.283307075500488,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Os
|
hard_negative
| false
| null | 0
| 1.13091
| 1.13091
| true
|
[
"metallic"
] | null |
mp-1186078
|
[
"Na",
"Pm"
] |
[
11,
11,
11,
11,
11,
11,
61,
61
] | 8
| 2
|
[
[
0.8377444744110107,
0.16225549578666687,
0.75
],
[
0.32451099157333374,
0.16225549578666687,
0.75
],
[
0.16225549578666687,
0.32451099157333374,
0.25
],
[
0.16225549578666687,
0.8377444744110107,
0.25
],
[
0.6754890084266663,
0.8377444744110107,
0.25
],
[
0.8377444744110107,
0.6754890084266663,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 7.431192398071289,
"b": 7.431192398071289,
"c": 5.794104099273682,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Pm
|
hard_negative
| false
| null | 0
| 0.329533
| 0.329533
| true
|
[
"metallic"
] | null |
mp-1186082
|
[
"Na",
"Ru"
] |
[
11,
11,
11,
11,
11,
11,
44,
44
] | 8
| 2
|
[
[
0.17784950137138367,
0.35569900274276733,
0.25
],
[
0.6443009972572327,
0.8221505284309387,
0.25
],
[
0.17784950137138367,
0.8221505284309387,
0.25
],
[
0.8221505284309387,
0.6443009972572327,
0.75
],
[
0.35569900274276733,
0.17784950137138367,
0.75
],
[
0.8221505284309387,
0.17784950137138367,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 6.477193355560303,
"b": 6.477193355560303,
"c": 5.33463716506958,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Ru
|
hard_negative
| false
| null | 0
| 0.83386
| 0.83386
| true
|
[
"metallic"
] | null |
mp-1186088
|
[
"Na",
"Tl"
] |
[
11,
11,
11,
11,
11,
11,
81,
81
] | 8
| 2
|
[
[
0.3507018983364105,
0.17535094916820526,
0.75
],
[
0.8246490359306335,
0.17535094916820526,
0.75
],
[
0.8246490359306335,
0.6492980718612671,
0.75
],
[
0.6492980718612671,
0.8246490359306335,
0.25
],
[
0.17535094916820526,
0.8246490359306335,
0.25
],
[
0.17535094916820526,
0.3507018983364105,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.945704936981201,
"b": 6.945704936981201,
"c": 5.71381139755249,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Tl
|
hard_negative
| false
| null | 0
| 0.011268
| -0.092146
| true
|
[
"metallic"
] | null |
mp-1186095
|
[
"Na",
"Ti"
] |
[
11,
11,
11,
11,
11,
11,
22,
22
] | 8
| 2
|
[
[
0.33746498823165894,
0.16873249411582947,
0.75
],
[
0.8312674760818481,
0.16873249411582947,
0.75
],
[
0.8312674760818481,
0.6625350117683411,
0.75
],
[
0.6625350117683411,
0.8312674760818481,
0.25
],
[
0.16873249411582947,
0.8312674760818481,
0.25
],
[
0.16873249411582947,
0.33746498823165894,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.019673824310303,
"b": 7.019673824310303,
"c": 5.771058082580566,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Ti
|
hard_negative
| false
| null | 0
| 0.716613
| 0.716613
| true
|
[
"metallic"
] | null |
mp-1186096
|
[
"Na",
"Yb"
] |
[
11,
11,
11,
11,
11,
11,
70,
70
] | 8
| 2
|
[
[
0.3303326368331909,
0.16516631841659546,
0.75
],
[
0.8348336815834045,
0.16516631841659546,
0.75
],
[
0.8348336815834045,
0.6696673631668091,
0.75
],
[
0.6696673631668091,
0.8348336815834045,
0.25
],
[
0.16516631841659546,
0.8348336815834045,
0.25
],
[
0.16516631841659546,
0.3303326368331909,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.3214287757873535,
"b": 7.3214287757873535,
"c": 5.803097724914551,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Yb
|
hard_negative
| false
| null | 0
| 0.427231
| 0.427231
| true
|
[
"metallic"
] | null |
mp-1186099
|
[
"Na",
"Zn"
] |
[
11,
11,
11,
11,
11,
11,
30,
30
] | 8
| 2
|
[
[
0.34621700644493103,
0.17310850322246552,
0.75
],
[
0.8268914818763733,
0.17310850322246552,
0.75
],
[
0.8268914818763733,
0.6537830233573914,
0.75
],
[
0.6537830233573914,
0.8268914818763733,
0.25
],
[
0.17310850322246552,
0.8268914818763733,
0.25
],
[
0.17310850322246552,
0.34621700644493103,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.045793533325195,
"b": 7.045793533325195,
"c": 5.445582866668701,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Zn
|
hard_negative
| false
| null | 0
| 0.081516
| 0.05971
| true
|
[
"metallic"
] | null |
mp-1186104
|
[
"Na",
"Zr"
] |
[
11,
11,
11,
11,
11,
11,
40,
40
] | 8
| 2
|
[
[
0.3331640064716339,
0.16658200323581696,
0.75
],
[
0.8334180116653442,
0.16658200323581696,
0.75
],
[
0.8334180116653442,
0.6668360233306885,
0.75
],
[
0.6668360233306885,
0.8334180116653442,
0.25
],
[
0.16658200323581696,
0.8334180116653442,
0.25
],
[
0.16658200323581696,
0.3331640064716339,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.948103904724121,
"b": 6.948103904724121,
"c": 5.597598075866699,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Zr
|
hard_negative
| false
| null | 0
| 0.772724
| 0.772724
| true
|
[
"metallic"
] | null |
mp-1186114
|
[
"Na",
"La"
] |
[
11,
11,
11,
11,
11,
11,
57,
57
] | 8
| 2
|
[
[
0.1601870059967041,
0.3203740119934082,
0.25
],
[
0.1601870059967041,
0.8398129940032959,
0.25
],
[
0.6796259880065918,
0.8398129940032959,
0.25
],
[
0.8398129940032959,
0.6796259880065918,
0.75
],
[
0.8398129940032959,
0.1601870059967041,
0.75
],
[
0.3203740119934082,
0.1601870059967041,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 7.538374423980713,
"b": 7.538374423980713,
"c": 5.897317886352539,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3La
|
hard_negative
| false
| null | 0
| 0.290165
| 0.290165
| true
|
[
"metallic"
] | null |
mp-1186115
|
[
"Na",
"Au"
] |
[
11,
11,
79,
79,
79,
79,
79,
79
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16625100374221802,
0.33250200748443604,
0.25
],
[
0.16625100374221802,
0.833748996257782,
0.25
],
[
0.667497992515564,
0.833748996257782,
0.25
],
[
0.833748996257782,
0.667497992515564,
0.75
],
[
0.833748996257782,
0.16625100374221802,
0.75
],
[
0.33250200748443604,
0.16625100374221802,
0.75
]
] |
{
"a": 5.804347515106201,
"b": 5.804347515106201,
"c": 5.119016170501709,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NaAu3
|
hard_negative
| false
| null | 0
| 0.093042
| -0.210972
| true
|
[
"metallic"
] | null |
mp-1186116
|
[
"Na",
"Np"
] |
[
11,
11,
11,
11,
11,
11,
93,
93
] | 8
| 2
|
[
[
0.31986498832702637,
0.15993249416351318,
0.75
],
[
0.8400675058364868,
0.15993249416351318,
0.75
],
[
0.8400675058364868,
0.6801350116729736,
0.75
],
[
0.6801350116729736,
0.8400675058364868,
0.25
],
[
0.15993249416351318,
0.8400675058364868,
0.25
],
[
0.15993249416351318,
0.31986498832702637,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.36221981048584,
"b": 7.36221981048584,
"c": 5.885467052459717,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Np
|
hard_negative
| false
| null | 0
| 0.846849
| 0.846849
| true
|
[
"metallic"
] | null |
mp-1186128
|
[
"Na",
"Pu"
] |
[
11,
11,
11,
11,
11,
11,
94,
94
] | 8
| 2
|
[
[
0.3212200105190277,
0.16061000525951385,
0.75
],
[
0.839389979839325,
0.16061000525951385,
0.75
],
[
0.839389979839325,
0.6787800192832947,
0.75
],
[
0.6787800192832947,
0.839389979839325,
0.25
],
[
0.16061000525951385,
0.839389979839325,
0.25
],
[
0.16061000525951385,
0.3212200105190277,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.858469486236572,
"b": 7.858469486236572,
"c": 5.564582824707031,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Na3Pu
|
hard_negative
| false
| null | 0
| 0.484379
| 0.484379
| true
|
[
"metallic"
] | null |
mp-1186152
|
[
"Na",
"Hg"
] |
[
11,
11,
80,
80,
80,
80,
80,
80
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8336937427520752,
0.1663062870502472,
0.75
],
[
0.3326125741004944,
0.1663062870502472,
0.75
],
[
0.8336937427520752,
0.6673874258995056,
0.75
],
[
0.1663062870502472,
0.8336937427520752,
0.25
],
[
0.6673874258995056,
0.8336937427520752,
0.25
],
[
0.1663062870502472,
0.3326125741004944,
0.25
]
] |
{
"a": 6.594621658325195,
"b": 6.594621658325195,
"c": 5.2149271965026855,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NaHg3
|
hard_negative
| false
| null | 0
| 0
| -0.212743
| true
|
[
"metallic"
] | null |
mp-1186159
|
[
"Ag",
"Np"
] |
[
93,
93,
47,
47,
47,
47,
47,
47
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.8472449779510498,
0.6944900155067444,
0.75
],
[
0.8472449779510498,
0.152755007147789,
0.75
],
[
0.305510014295578,
0.152755007147789,
0.75
],
[
0.152755007147789,
0.305510014295578,
0.25
],
[
0.152755007147789,
0.8472449779510498,
0.25
],
[
0.6944900155067444,
0.8472449779510498,
0.25
]
] |
{
"a": 6.494132041931152,
"b": 6.494132041931152,
"c": 4.861962795257568,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NpAg3
|
hard_negative
| false
| null | 0
| 0.330654
| 0.330654
| true
|
[
"metallic"
] | null |
mp-1186184
|
[
"Na",
"Sr"
] |
[
11,
11,
38,
38,
38,
38,
38,
38
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.832334041595459,
0.664668083190918,
0.75
],
[
0.664668083190918,
0.832334041595459,
0.25
],
[
0.1676659733057022,
0.832334041595459,
0.25
],
[
0.1676659733057022,
0.3353319466114044,
0.25
],
[
0.3353319466114044,
0.1676659733057022,
0.75
],
[
0.832334041595459,
0.1676659733057022,
0.75
]
] |
{
"a": 8.399685859680176,
"b": 8.399685859680176,
"c": 6.920409679412842,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NaSr3
|
hard_negative
| false
| null | 0
| 0.069146
| 0.069146
| true
|
[
"metallic"
] | null |
mp-1186186
|
[
"Na",
"Tb"
] |
[
11,
11,
65,
65,
65,
65,
65,
65
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.1640930026769638,
0.835906982421875,
0.25
],
[
0.1640930026769638,
0.3281860053539276,
0.25
],
[
0.835906982421875,
0.6718140244483948,
0.75
],
[
0.6718140244483948,
0.835906982421875,
0.25
],
[
0.3281860053539276,
0.1640930026769638,
0.75
],
[
0.835906982421875,
0.1640930026769638,
0.75
]
] |
{
"a": 7.23015832901001,
"b": 7.23015832901001,
"c": 5.770534038543701,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NaTb3
|
hard_negative
| false
| null | 0
| 0.303339
| 0.303339
| true
|
[
"metallic"
] | null |
mp-1186190
|
[
"Na",
"Sn"
] |
[
11,
11,
50,
50,
50,
50,
50,
50
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.32601475715637207,
0.16300737857818604,
0.75
],
[
0.836992621421814,
0.16300737857818604,
0.75
],
[
0.836992621421814,
0.6739852428436279,
0.75
],
[
0.6739852428436279,
0.836992621421814,
0.25
],
[
0.16300737857818604,
0.836992621421814,
0.25
],
[
0.16300737857818604,
0.32601475715637207,
0.25
]
] |
{
"a": 6.751926898956299,
"b": 6.751926898956299,
"c": 5.304736614227295,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NaSn3
|
hard_negative
| false
| null | 0
| 0.102839
| -0.038849
| true
|
[
"metallic"
] | null |
mp-1186192
|
[
"Na",
"Ti"
] |
[
11,
11,
22,
22,
22,
22,
22,
22
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.308571994304657,
0.1542859971523285,
0.75
],
[
0.8457139730453491,
0.1542859971523285,
0.75
],
[
0.8457139730453491,
0.691428005695343,
0.75
],
[
0.691428005695343,
0.8457139730453491,
0.25
],
[
0.1542859971523285,
0.8457139730453491,
0.25
],
[
0.1542859971523285,
0.308571994304657,
0.25
]
] |
{
"a": 6.130627632141113,
"b": 6.130627632141113,
"c": 4.787694931030273,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NaTi3
|
hard_negative
| false
| null | 0
| 0.668481
| 0.668481
| true
|
[
"metallic"
] | null |
mp-1186197
|
[
"Na",
"Tl"
] |
[
11,
11,
81,
81,
81,
81,
81,
81
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16416050493717194,
0.32832100987434387,
0.25
],
[
0.6716790199279785,
0.8358395099639893,
0.25
],
[
0.16416050493717194,
0.8358395099639893,
0.25
],
[
0.8358395099639893,
0.6716790199279785,
0.75
],
[
0.32832100987434387,
0.16416050493717194,
0.75
],
[
0.8358395099639893,
0.16416050493717194,
0.75
]
] |
{
"a": 7.322730541229248,
"b": 7.322730541229248,
"c": 5.235658168792725,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NaTl3
|
hard_negative
| false
| null | 0
| 0.015805
| -0.081453
| true
|
[
"metallic"
] | null |
mp-1186204
|
[
"Na",
"Yb"
] |
[
11,
11,
70,
70,
70,
70,
70,
70
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8365565538406372,
0.1634434461593628,
0.75
],
[
0.8365565538406372,
0.6731131076812744,
0.75
],
[
0.6731131076812744,
0.8365565538406372,
0.25
],
[
0.1634434461593628,
0.8365565538406372,
0.25
],
[
0.1634434461593628,
0.3268868923187256,
0.25
],
[
0.3268868923187256,
0.1634434461593628,
0.75
]
] |
{
"a": 7.0408196449279785,
"b": 7.0408196449279785,
"c": 5.755201816558838,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NaYb3
|
hard_negative
| false
| null | 0
| 0.311255
| 0.311255
| true
|
[
"metallic"
] | null |
mp-1186211
|
[
"Na",
"Zn"
] |
[
11,
11,
30,
30,
30,
30,
30,
30
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.15818899869918823,
0.31637799739837646,
0.25
],
[
0.8418110013008118,
0.6836220026016235,
0.75
],
[
0.31637799739837646,
0.15818899869918823,
0.75
],
[
0.15818899869918823,
0.8418110013008118,
0.25
],
[
0.8418110013008118,
0.15818899869918823,
0.75
],
[
0.6836220026016235,
0.8418110013008118,
0.25
]
] |
{
"a": 6.015081882476807,
"b": 6.015081882476807,
"c": 4.64389705657959,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NaZn3
|
hard_negative
| false
| null | 0
| 0.114464
| 0.049049
| true
|
[
"metallic"
] | null |
mp-1186212
|
[
"Au",
"Np"
] |
[
93,
93,
93,
93,
93,
93,
79,
79
] | 8
| 2
|
[
[
0.15000450611114502,
0.30000901222229004,
0.25
],
[
0.69999098777771,
0.849995493888855,
0.25
],
[
0.15000450611114502,
0.849995493888855,
0.25
],
[
0.849995493888855,
0.69999098777771,
0.75
],
[
0.30000901222229004,
0.15000450611114502,
0.75
],
[
0.849995493888855,
0.15000450611114502,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 6.668027400970459,
"b": 6.668027400970459,
"c": 4.106794834136963,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Np3Au
|
hard_negative
| false
| null | 0
| 0.566716
| 0.418937
| true
|
[
"metallic"
] | null |
mp-1186215
|
[
"Nb",
"I"
] |
[
41,
41,
41,
41,
41,
41,
53,
53
] | 8
| 2
|
[
[
0.15251100063323975,
0.3050220012664795,
0.25
],
[
0.15251100063323975,
0.8474889993667603,
0.25
],
[
0.6949779987335205,
0.8474889993667603,
0.25
],
[
0.8474889993667603,
0.6949779987335205,
0.75
],
[
0.8474889993667603,
0.15251100063323975,
0.75
],
[
0.3050220012664795,
0.15251100063323975,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 6.072772026062012,
"b": 6.072772026062012,
"c": 5.011754035949707,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Nb3I
|
hard_negative
| false
| null | 0
| 0.765784
| 0.491525
| true
|
[
"halide",
"metallic"
] | null |
mp-1186219
|
[
"Se",
"Nb"
] |
[
41,
41,
41,
41,
41,
41,
34,
34
] | 8
| 2
|
[
[
0.3210499882698059,
0.16052499413490295,
0.75
],
[
0.8394749760627747,
0.16052499413490295,
0.75
],
[
0.8394749760627747,
0.6789500117301941,
0.75
],
[
0.6789500117301941,
0.8394749760627747,
0.25
],
[
0.16052499413490295,
0.8394749760627747,
0.25
],
[
0.16052499413490295,
0.3210499882698059,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 5.767080307006836,
"b": 5.767080307006836,
"c": 4.925355911254883,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Nb3Se
|
hard_negative
| false
| null | 0
| 0.410192
| -0.038999
| true
|
[
"metallic"
] | null |
mp-1186226
|
[
"Na",
"Gd"
] |
[
11,
11,
64,
64,
64,
64,
64,
64
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6691480278968811,
0.8345739841461182,
0.25
],
[
0.16542600095272064,
0.8345739841461182,
0.25
],
[
0.16542600095272064,
0.3308520019054413,
0.25
],
[
0.8345739841461182,
0.6691480278968811,
0.75
],
[
0.8345739841461182,
0.16542600095272064,
0.75
],
[
0.3308520019054413,
0.16542600095272064,
0.75
]
] |
{
"a": 7.232089996337891,
"b": 7.232089996337891,
"c": 5.851779937744141,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NaGd3
|
hard_negative
| false
| null | 0
| 0.240562
| 0.240562
| true
|
[
"metallic"
] | null |
mp-1186229
|
[
"Nb",
"Ru"
] |
[
41,
41,
44,
44,
44,
44,
44,
44
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16473081707954407,
0.32946163415908813,
0.25
],
[
0.16473081707954407,
0.8352691531181335,
0.25
],
[
0.6705383658409119,
0.8352691531181335,
0.25
],
[
0.8352691531181335,
0.6705383658409119,
0.75
],
[
0.8352691531181335,
0.16473081707954407,
0.75
],
[
0.32946163415908813,
0.16473081707954407,
0.75
]
] |
{
"a": 5.560439586639404,
"b": 5.560439586639404,
"c": 4.381059646606445,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NbRu3
|
hard_negative
| false
| null | 0
| 0.054958
| -0.109045
| true
|
[
"metallic"
] | null |
mp-1186230
|
[
"Nb",
"Rh"
] |
[
41,
41,
45,
45,
45,
45,
45,
45
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
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0.6666666865348816,
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0.16370737552642822,
0.75
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[
0.32741475105285645,
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0.75
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] |
{
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"c": 4.419408798217773,
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"gamma": 120
}
| 194
|
NbRh3
|
hard_negative
| false
| null | 0
| 0.015991
| -0.492373
| true
|
[
"metallic"
] | null |
mp-1186231
|
[
"Nb",
"Ir"
] |
[
41,
41,
77,
77,
77,
77,
77,
77
] | 8
| 2
|
[
[
0.3333333432674408,
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0.6666666865348816,
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0.1636485904455185,
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0.1636485904455185,
0.75
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[
0.8363513946533203,
0.1636485904455185,
0.75
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] |
{
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"gamma": 120
}
| 194
|
NbIr3
|
hard_negative
| false
| null | 0
| 0
| -0.6121
| true
|
[
"metallic"
] | null |
mp-1186237
|
[
"Nb",
"Sn"
] |
[
41,
41,
50,
50,
50,
50,
50,
50
] | 8
| 2
|
[
[
0.3333333432674408,
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0.6666666865348816,
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0.6537479758262634,
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0.8268740177154541,
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0.75
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[
0.3462519943714142,
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0.75
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] |
{
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"gamma": 120
}
| 194
|
NbSn3
|
hard_negative
| false
| null | 0
| 0.41434
| 0.326472
| true
|
[
"metallic"
] | null |
mp-1186241
|
[
"O",
"Nb"
] |
[
41,
41,
8,
8,
8,
8,
8,
8
] | 8
| 2
|
[
[
0.6666666865348816,
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0.25
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0.3333333432674408,
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0.6377090215682983,
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0.8188545107841492,
0.25
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[
0.18114550411701202,
0.36229100823402405,
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] |
{
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"gamma": 120
}
| 194
|
NbO3
|
hard_negative
| false
| null | 0
| 1.008659
| -1.646271
| true
|
[
"oxide",
"metallic"
] | null |
mp-1186246
|
[
"Nd",
"Pm"
] |
[
61,
61,
60,
60,
60,
60,
60,
60
] | 8
| 2
|
[
[
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0.75
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0.6666666865348816,
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0.16669298708438873,
0.75
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[
0.33338597416877747,
0.16669298708438873,
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] |
{
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"c": 5.875371932983398,
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"gamma": 120
}
| 194
|
PmNd3
|
hard_negative
| false
| null | 0
| 0.027994
| 0.027994
| true
|
[
"metallic"
] | null |
mp-1186260
|
[
"Nd",
"Au"
] |
[
60,
60,
60,
60,
60,
60,
79,
79
] | 8
| 2
|
[
[
0.3536669909954071,
0.17683349549770355,
0.75
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[
0.8231664896011353,
0.17683349549770355,
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0.25
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[
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] |
{
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"c": 5.360619068145752,
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}
| 194
|
Nd3Au
|
hard_negative
| false
| null | 0
| 0.189784
| -0.224432
| true
|
[
"metallic"
] | null |
mp-1186264
|
[
"Br",
"Nd"
] |
[
60,
60,
60,
60,
60,
60,
35,
35
] | 8
| 2
|
[
[
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0.75
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0.8305479884147644,
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0.25
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[
0.3333333432674408,
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] |
{
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"c": 5.601451873779297,
"alpha": 90,
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}
| 194
|
Nd3Br
|
hard_negative
| false
| null | 0
| 0.518532
| -0.251652
| true
|
[
"halide",
"metallic"
] | null |
mp-1186265
|
[
"Cd",
"Nd"
] |
[
60,
60,
60,
60,
60,
60,
48,
48
] | 8
| 2
|
[
[
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0.75
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0.8259149789810181,
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] |
{
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"c": 5.617133140563965,
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"gamma": 120
}
| 194
|
Nd3Cd
|
hard_negative
| false
| null | 0
| 0.066189
| -0.083755
| true
|
[
"metallic"
] | null |
mp-1186266
|
[
"Nd",
"Dy"
] |
[
60,
60,
60,
60,
60,
60,
66,
66
] | 8
| 2
|
[
[
0.33512261509895325,
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0.75
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[
0.8324387073516846,
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0.25
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[
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]
] |
{
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"c": 5.824704170227051,
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}
| 194
|
Nd3Dy
|
hard_negative
| false
| null | 0
| 0.02581
| 0.02581
| true
|
[
"metallic"
] | null |
mp-1186267
|
[
"Nd",
"Er"
] |
[
60,
60,
60,
60,
60,
60,
68,
68
] | 8
| 2
|
[
[
0.3367994427680969,
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0.75
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0.8316002488136292,
0.16839972138404846,
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0.3333333432674408,
0.25
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[
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0.75
]
] |
{
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"c": 5.861184120178223,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Nd3Er
|
hard_negative
| false
| null | 0
| 0.025427
| 0.025427
| true
|
[
"metallic"
] | null |
mp-1186268
|
[
"Cl",
"Nd"
] |
[
60,
60,
60,
60,
60,
60,
17,
17
] | 8
| 2
|
[
[
0.17240400612354279,
0.34480801224708557,
0.25
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[
0.6551920175552368,
0.8275960087776184,
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0.6666666865348816,
0.75
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[
0.6666666865348816,
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0.25
]
] |
{
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"c": 5.224765777587891,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Nd3Cl
|
hard_negative
| false
| null | 0
| 0.661254
| -0.200714
| true
|
[
"halide",
"metallic"
] | null |
mp-1186276
|
[
"Nd",
"Ho"
] |
[
60,
60,
60,
60,
60,
60,
67,
67
] | 8
| 2
|
[
[
0.33614102005958557,
0.16807051002979279,
0.75
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[
0.8319295048713684,
0.16807051002979279,
0.75
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0.8319295048713684,
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0.6638590097427368,
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0.3333333432674408,
0.25
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[
0.3333333432674408,
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]
] |
{
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"c": 5.870728969573975,
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"beta": 90,
"gamma": 120
}
| 194
|
Nd3Ho
|
hard_negative
| false
| null | 0
| 0.02321
| 0.02321
| true
|
[
"metallic"
] | null |
mp-1186281
|
[
"Nd",
"Sm"
] |
[
60,
60,
60,
60,
60,
60,
62,
62
] | 8
| 2
|
[
[
0.3335666060447693,
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0.75
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[
0.833216667175293,
0.16678330302238464,
0.75
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0.833216667175293,
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0.75
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0.6664333939552307,
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0.25
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0.6666666865348816,
0.3333333432674408,
0.25
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[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
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"c": 5.859110355377197,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Nd3Sm
|
hard_negative
| false
| null | 0
| 0.027157
| 0.027157
| true
|
[
"metallic"
] | null |
mp-1186283
|
[
"Sc",
"Nd"
] |
[
60,
60,
60,
60,
60,
60,
21,
21
] | 8
| 2
|
[
[
0.8288193941116333,
0.1711806356906891,
0.75
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[
0.3423612713813782,
0.1711806356906891,
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0.1711806356906891,
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[
0.6576387286186218,
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0.25
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0.6666666865348816,
0.75
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[
0.6666666865348816,
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0.25
]
] |
{
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"c": 5.673147201538086,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Nd3Sc
|
hard_negative
| false
| null | 0
| 0.047528
| 0.047528
| true
|
[
"metallic"
] | null |
mp-1186285
|
[
"Nd",
"Pa"
] |
[
60,
60,
60,
60,
60,
60,
91,
91
] | 8
| 2
|
[
[
0.16961100697517395,
0.3392220139503479,
0.25
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[
0.16961100697517395,
0.8303890228271484,
0.25
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0.6607779860496521,
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0.8303890228271484,
0.6607779860496521,
0.75
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0.8303890228271484,
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0.6666666865348816,
0.75
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[
0.6666666865348816,
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0.25
]
] |
{
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"c": 5.856496810913086,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Nd3Pa
|
hard_negative
| false
| null | 0
| 0.307584
| 0.307584
| true
|
[
"metallic"
] | null |
mp-1186286
|
[
"Nd",
"Tm"
] |
[
60,
60,
60,
60,
60,
60,
69,
69
] | 8
| 2
|
[
[
0.33699771761894226,
0.16849885880947113,
0.75
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[
0.8315011262893677,
0.16849885880947113,
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0.8315011262893677,
0.6630022525787354,
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[
0.6630022525787354,
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0.25
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0.16849885880947113,
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0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
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"c": 5.841226577758789,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Nd3Tm
|
hard_negative
| false
| null | 0
| 0.021263
| 0.021263
| true
|
[
"metallic"
] | null |
mp-1186290
|
[
"Zn",
"Nd"
] |
[
60,
60,
60,
60,
60,
60,
30,
30
] | 8
| 2
|
[
[
0.6470739841461182,
0.8235369920730591,
0.25
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[
0.17646299302577972,
0.8235369920730591,
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[
0.17646299302577972,
0.35292598605155945,
0.25
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[
0.35292598605155945,
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0.75
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] |
{
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"gamma": 120
}
| 194
|
Nd3Zn
|
hard_negative
| false
| null | 0
| 0.115674
| -0.041694
| true
|
[
"metallic"
] | null |
mp-1186291
|
[
"Y",
"Nd"
] |
[
60,
60,
60,
60,
60,
60,
39,
39
] | 8
| 2
|
[
[
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0.832414984703064,
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0.25
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0.3333333432674408,
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] |
{
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"alpha": 90,
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"gamma": 120
}
| 194
|
Nd3Y
|
hard_negative
| false
| null | 0
| 0.028704
| 0.028704
| true
|
[
"metallic"
] | null |
mp-1186294
|
[
"Ag",
"Nd"
] |
[
60,
60,
47,
47,
47,
47,
47,
47
] | 8
| 2
|
[
[
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0.6666666865348816,
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0.1482817530632019,
0.75
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[
0.2965635061264038,
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] |
{
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"c": 4.796143054962158,
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"gamma": 120
}
| 194
|
NdAg3
|
hard_negative
| false
| null | 0
| 0.068838
| -0.195882
| true
|
[
"metallic"
] | null |
mp-1186302
|
[
"In",
"Nd"
] |
[
60,
60,
60,
60,
60,
60,
49,
49
] | 8
| 2
|
[
[
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0.17636094987392426,
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] |
{
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"beta": 90,
"gamma": 120
}
| 194
|
Nd3In
|
hard_negative
| false
| null | 0
| 0.01061
| -0.362097
| true
|
[
"metallic"
] | null |
mp-1186303
|
[
"Cd",
"Nd"
] |
[
60,
60,
48,
48,
48,
48,
48,
48
] | 8
| 2
|
[
[
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0.25
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0.3333333432674408,
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0.8432408571243286,
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[
0.15675915777683258,
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{
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"c": 4.949438095092773,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NdCd3
|
hard_negative
| false
| null | 0
| 0.002078
| -0.276511
| true
|
[
"metallic"
] | null |
mp-1186305
|
[
"Nd",
"Er"
] |
[
60,
60,
68,
68,
68,
68,
68,
68
] | 8
| 2
|
[
[
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0.6666666865348816,
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[
0.32859623432159424,
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] |
{
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"gamma": 120
}
| 194
|
NdEr3
|
hard_negative
| false
| null | 0
| 0.01175
| 0.01175
| true
|
[
"metallic"
] | null |
mp-1186314
|
[
"Nd",
"Hg"
] |
[
60,
60,
80,
80,
80,
80,
80,
80
] | 8
| 2
|
[
[
0.3333333432674408,
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0.6666666865348816,
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0.25
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[
0.1619984358549118,
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{
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"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NdHg3
|
hard_negative
| false
| null | 0
| 0
| -0.462403
| true
|
[
"metallic"
] | null |
mp-1186318
|
[
"Nd",
"Lu"
] |
[
60,
60,
71,
71,
71,
71,
71,
71
] | 8
| 2
|
[
[
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0.6666666865348816,
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0.1642838567495346,
0.75
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[
0.1642838567495346,
0.3285677134990692,
0.25
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] |
{
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}
| 194
|
NdLu3
|
hard_negative
| false
| null | 0
| 0
| -0.002582
| true
|
[
"metallic"
] | null |
mp-1186319
|
[
"Nd",
"Eu"
] |
[
60,
60,
63,
63,
63,
63,
63,
63
] | 8
| 2
|
[
[
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0.6666666865348816,
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0.6612750291824341,
0.75
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[
0.830637514591217,
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0.75
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] |
{
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"gamma": 120
}
| 194
|
NdEu3
|
hard_negative
| false
| null | 0
| 0.057513
| 0.057513
| true
|
[
"metallic"
] | null |
mp-1186332
|
[
"Nd",
"Tm"
] |
[
60,
60,
69,
69,
69,
69,
69,
69
] | 8
| 2
|
[
[
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0.75
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0.6666666865348816,
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0.16430312395095825,
0.75
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[
0.3286062479019165,
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0.75
]
] |
{
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"gamma": 120
}
| 194
|
NdTm3
|
hard_negative
| false
| null | 0
| 0.001188
| 0.001188
| true
|
[
"metallic"
] | null |
mp-1186333
|
[
"Nd",
"Sm"
] |
[
60,
60,
62,
62,
62,
62,
62,
62
] | 8
| 2
|
[
[
0.3333333432674408,
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0.75
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0.6666666865348816,
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0.833364725112915,
0.25
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[
0.6667293906211853,
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0.25
]
] |
{
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"c": 5.818809986114502,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NdSm3
|
hard_negative
| false
| null | 0
| 0.023796
| 0.023796
| true
|
[
"metallic"
] | null |
mp-1186340
|
[
"Y",
"Nd"
] |
[
60,
60,
39,
39,
39,
39,
39,
39
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
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[
0.6666666865348816,
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0.1649964302778244,
0.75
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[
0.3299928605556488,
0.1649964302778244,
0.75
]
] |
{
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"c": 5.899041652679443,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NdY3
|
hard_negative
| false
| null | 0
| 0.013786
| 0.013786
| true
|
[
"metallic"
] | null |
mp-1186347
|
[
"Ni",
"Rh"
] |
[
28,
28,
28,
28,
28,
28,
45,
45
] | 8
| 2
|
[
[
0.3265058100223541,
0.16325290501117706,
0.75
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[
0.8367471098899841,
0.16325290501117706,
0.75
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0.8367471098899841,
0.6734942197799683,
0.75
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0.6734942197799683,
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0.25
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0.16325290501117706,
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0.16325290501117706,
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0.3333333432674408,
0.25
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[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
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"c": 4.110864639282227,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Ni3Rh
|
hard_negative
| false
| null | 0
| 0.024257
| 0.024257
| true
|
[
"metallic"
] | null |
mp-1186353
|
[
"Nd",
"Np"
] |
[
60,
60,
60,
60,
60,
60,
93,
93
] | 8
| 2
|
[
[
0.1693429946899414,
0.3386859893798828,
0.25
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[
0.1693429946899414,
0.8306570053100586,
0.25
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0.6613140106201172,
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0.8306570053100586,
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0.8306570053100586,
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0.3386859893798828,
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0.6666666865348816,
0.75
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[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
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"c": 5.9500579833984375,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Nd3Np
|
hard_negative
| false
| null | 0
| 0.399846
| 0.399846
| true
|
[
"metallic"
] | null |
mp-1186362
|
[
"Co",
"Np"
] |
[
93,
93,
27,
27,
27,
27,
27,
27
] | 8
| 2
|
[
[
0.6666666865348816,
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0.25
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[
0.3333333432674408,
0.6666666865348816,
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0.3245910108089447,
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0.16229550540447235,
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0.25
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0.6754090189933777,
0.8377044796943665,
0.25
],
[
0.16229550540447235,
0.3245910108089447,
0.25
]
] |
{
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"c": 4.368550777435303,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NpCo3
|
hard_negative
| false
| null | 0
| 0.079435
| 0.019751
| true
|
[
"metallic"
] | null |
mp-1186369
|
[
"P",
"Au"
] |
[
15,
15,
79,
79,
79,
79,
79,
79
] | 8
| 2
|
[
[
0.3333333432674408,
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0.75
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[
0.6666666865348816,
0.3333333432674408,
0.25
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0.1693270057439804,
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0.25
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0.6613460183143616,
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0.8306729793548584,
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0.75
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[
0.8306729793548584,
0.1693270057439804,
0.75
],
[
0.3386540114879608,
0.1693270057439804,
0.75
]
] |
{
"a": 5.9612321853637695,
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"c": 4.637141227722168,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
PAu3
|
hard_negative
| false
| null | 0
| 0.349743
| 0.281731
| true
|
[
"metallic"
] | null |
mp-1186370
|
[
"Ni",
"Se"
] |
[
28,
28,
28,
28,
28,
28,
34,
34
] | 8
| 2
|
[
[
0.32819101214408875,
0.16409550607204437,
0.75
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[
0.8359044790267944,
0.16409550607204437,
0.75
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0.6718090176582336,
0.75
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[
0.6718090176582336,
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0.25
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0.16409550607204437,
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0.25
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[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
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"c": 4.183436870574951,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Ni3Se
|
hard_negative
| false
| null | 0
| 0.273937
| 0.094761
| true
|
[
"metallic"
] | null |
mp-1186373
|
[
"O",
"Os"
] |
[
76,
76,
76,
76,
76,
76,
8,
8
] | 8
| 2
|
[
[
0.1841530054807663,
0.3683060109615326,
0.25
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[
0.1841530054807663,
0.8158469796180725,
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[
0.6316940188407898,
0.8158469796180725,
0.25
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[
0.8158469796180725,
0.6316940188407898,
0.75
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[
0.8158469796180725,
0.1841530054807663,
0.75
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0.3683060109615326,
0.1841530054807663,
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0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 6.109703540802002,
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"c": 3.3681259155273438,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Os3O
|
hard_negative
| false
| null | 0
| 1.167056
| 0.663281
| true
|
[
"oxide",
"metallic"
] | null |
mp-1186374
|
[
"W",
"Os"
] |
[
76,
76,
76,
76,
76,
76,
74,
74
] | 8
| 2
|
[
[
0.16637317836284637,
0.33274635672569275,
0.25
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[
0.6672536134719849,
0.8336268067359924,
0.25
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[
0.16637317836284637,
0.8336268067359924,
0.25
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[
0.8336268067359924,
0.6672536134719849,
0.75
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[
0.33274635672569275,
0.16637317836284637,
0.75
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[
0.8336268067359924,
0.16637317836284637,
0.75
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[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 5.528529644012451,
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"c": 4.397089958190918,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Os3W
|
hard_negative
| false
| null | 0
| 0
| -0.050471
| true
|
[
"metallic"
] | null |
mp-1186377
|
[
"Rh",
"Os"
] |
[
76,
76,
45,
45,
45,
45,
45,
45
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
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[
0.16833099722862244,
0.3366619944572449,
0.25
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[
0.16833099722862244,
0.8316689729690552,
0.25
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[
0.6633380055427551,
0.8316689729690552,
0.25
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[
0.8316689729690552,
0.6633380055427551,
0.75
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0.8316689729690552,
0.16833099722862244,
0.75
],
[
0.3366619944572449,
0.16833099722862244,
0.75
]
] |
{
"a": 5.491968154907227,
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"c": 4.384307861328125,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
OsRh3
|
hard_negative
| false
| null | 0
| 0.088762
| 0.088762
| true
|
[
"metallic"
] | null |
mp-1186391
|
[
"Te",
"Np"
] |
[
93,
93,
52,
52,
52,
52,
52,
52
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
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[
0.3473620116710663,
0.17368100583553314,
0.75
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[
0.8263189792633057,
0.17368100583553314,
0.75
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[
0.8263189792633057,
0.6526380181312561,
0.75
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[
0.6526380181312561,
0.8263189792633057,
0.25
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[
0.17368100583553314,
0.8263189792633057,
0.25
],
[
0.17368100583553314,
0.3473620116710663,
0.25
]
] |
{
"a": 6.6037678718566895,
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"c": 5.977651119232178,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NpTe3
|
hard_negative
| false
| null | 0
| 0.264594
| -0.598047
| true
|
[
"metallic"
] | null |
mp-1186398
|
[
"O",
"Pa"
] |
[
91,
91,
91,
91,
91,
91,
8,
8
] | 8
| 2
|
[
[
0.8279924988746643,
0.1720075011253357,
0.75
],
[
0.3440150022506714,
0.1720075011253357,
0.75
],
[
0.8279924988746643,
0.6559849977493286,
0.75
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[
0.1720075011253357,
0.8279924988746643,
0.25
],
[
0.6559849977493286,
0.8279924988746643,
0.25
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[
0.1720075011253357,
0.3440150022506714,
0.25
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[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.140416622161865,
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"c": 4.821246147155762,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Pa3O
|
hard_negative
| false
| null | 0
| 1.334759
| -0.173724
| true
|
[
"oxide",
"metallic"
] | null |
mp-1186408
|
[
"Si",
"Pa"
] |
[
91,
91,
14,
14,
14,
14,
14,
14
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
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[
0.1427258998155594,
0.2854517996311188,
0.25
],
[
0.1427258998155594,
0.8572741150856018,
0.25
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[
0.7145481705665588,
0.8572741150856018,
0.25
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[
0.8572741150856018,
0.7145481705665588,
0.75
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[
0.8572741150856018,
0.1427258998155594,
0.75
],
[
0.2854517996311188,
0.1427258998155594,
0.75
]
] |
{
"a": 5.893755912780762,
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"c": 4.475711822509766,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
PaSi3
|
hard_negative
| false
| null | 0
| 0.018372
| -0.334043
| true
|
[
"metallic"
] | null |
mp-1186409
|
[
"Sb",
"Pa"
] |
[
91,
91,
51,
51,
51,
51,
51,
51
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.17327405512332916,
0.3465481102466583,
0.25
],
[
0.17327405512332916,
0.826725959777832,
0.25
],
[
0.6534518599510193,
0.826725959777832,
0.25
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[
0.826725959777832,
0.6534518599510193,
0.75
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[
0.826725959777832,
0.17327405512332916,
0.75
],
[
0.3465481102466583,
0.17327405512332916,
0.75
]
] |
{
"a": 6.356369972229004,
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"c": 5.966196537017822,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
PaSb3
|
hard_negative
| false
| null | 0
| 0.13489
| -0.334217
| true
|
[
"metallic"
] | null |
mp-1186410
|
[
"Pt",
"Np"
] |
[
93,
93,
78,
78,
78,
78,
78,
78
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.839091956615448,
0.1609080582857132,
0.75
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[
0.3218161165714264,
0.1609080582857132,
0.75
],
[
0.839091956615448,
0.678183913230896,
0.75
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[
0.1609080582857132,
0.839091956615448,
0.25
],
[
0.678183913230896,
0.839091956615448,
0.25
],
[
0.1609080582857132,
0.3218161165714264,
0.25
]
] |
{
"a": 5.7713189125061035,
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"c": 4.798829078674316,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
NpPt3
|
hard_negative
| false
| null | 0
| 0.196065
| -0.746417
| true
|
[
"metallic"
] | null |
mp-1186416
|
[
"Ga",
"Pa"
] |
[
91,
91,
31,
31,
31,
31,
31,
31
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.2938348054885864,
0.1469174027442932,
0.75
],
[
0.8530825972557068,
0.1469174027442932,
0.75
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[
0.8530825972557068,
0.7061651945114136,
0.75
],
[
0.7061651945114136,
0.8530825972557068,
0.25
],
[
0.1469174027442932,
0.8530825972557068,
0.25
],
[
0.1469174027442932,
0.2938348054885864,
0.25
]
] |
{
"a": 6.282679557800293,
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"c": 4.436487197875977,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
PaGa3
|
hard_negative
| false
| null | 0
| 0
| -0.390026
| true
|
[
"metallic"
] | null |
mp-1186420
|
[
"Fe",
"Pa"
] |
[
91,
91,
26,
26,
26,
26,
26,
26
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.15744534134864807,
0.31489068269729614,
0.25
],
[
0.15744534134864807,
0.8425546884536743,
0.25
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[
0.6851093173027039,
0.8425546884536743,
0.25
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[
0.8425546884536743,
0.6851093173027039,
0.75
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[
0.8425546884536743,
0.15744534134864807,
0.75
],
[
0.31489068269729614,
0.15744534134864807,
0.75
]
] |
{
"a": 5.3031840324401855,
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"c": 4.866037845611572,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
PaFe3
|
hard_negative
| false
| null | 0
| 0
| -0.034074
| true
|
[
"metallic"
] | null |
mp-1186447
|
[
"Pd",
"Au"
] |
[
46,
46,
79,
79,
79,
79,
79,
79
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
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[
0.8321413993835449,
0.16785861551761627,
0.75
],
[
0.33571723103523254,
0.16785861551761627,
0.75
],
[
0.8321413993835449,
0.6642827391624451,
0.75
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[
0.16785861551761627,
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0.25
],
[
0.6642827391624451,
0.8321413993835449,
0.25
],
[
0.16785861551761627,
0.33571723103523254,
0.25
]
] |
{
"a": 5.726173400878906,
"b": 5.726173400878906,
"c": 4.762193202972412,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
PdAu3
|
hard_negative
| false
| null | 0
| 0.011593
| -0.084662
| true
|
[
"metallic"
] | null |
mp-1186487
|
[
"Pr",
"Sm"
] |
[
59,
59,
62,
62,
62,
62,
62,
62
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3328935503959656,
0.1664467751979828,
0.75
],
[
0.8335532546043396,
0.1664467751979828,
0.75
],
[
0.8335532546043396,
0.6671064496040344,
0.75
],
[
0.6671064496040344,
0.8335532546043396,
0.25
],
[
0.1664467751979828,
0.8335532546043396,
0.25
],
[
0.1664467751979828,
0.3328935503959656,
0.25
]
] |
{
"a": 7.4476728439331055,
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"c": 5.838901996612549,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
PrSm3
|
hard_negative
| false
| null | 0
| 0.028687
| 0.028687
| true
|
[
"metallic"
] | null |
mp-1186496
|
[
"Al",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
13,
13
] | 8
| 2
|
[
[
0.35710081458091736,
0.17855040729045868,
0.75
],
[
0.8214495778083801,
0.642899215221405,
0.75
],
[
0.17855040729045868,
0.8214495778083801,
0.25
],
[
0.642899215221405,
0.8214495778083801,
0.25
],
[
0.17855040729045868,
0.35710081458091736,
0.25
],
[
0.8214495778083801,
0.17855040729045868,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.05963659286499,
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"c": 5.331599712371826,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Pm3Al
|
hard_negative
| false
| null | 0
| 0
| -0.238662
| true
|
[
"metallic"
] | null |
mp-1186498
|
[
"Cd",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
48,
48
] | 8
| 2
|
[
[
0.17533834278583527,
0.35067668557167053,
0.25
],
[
0.6493233442306519,
0.8246616721153259,
0.25
],
[
0.17533834278583527,
0.8246616721153259,
0.25
],
[
0.8246616721153259,
0.6493233442306519,
0.75
],
[
0.35067668557167053,
0.17533834278583527,
0.75
],
[
0.8246616721153259,
0.17533834278583527,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 7.128751277923584,
"b": 7.128751277923584,
"c": 5.52673864364624,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Pm3Cd
|
hard_negative
| false
| null | 0
| 0
| -0.145892
| true
|
[
"metallic"
] | null |
mp-1186499
|
[
"Ag",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
47,
47
] | 8
| 2
|
[
[
0.3483940064907074,
0.1741970032453537,
0.75
],
[
0.8258029818534851,
0.1741970032453537,
0.75
],
[
0.8258029818534851,
0.651606023311615,
0.75
],
[
0.651606023311615,
0.8258029818534851,
0.25
],
[
0.1741970032453537,
0.8258029818534851,
0.25
],
[
0.1741970032453537,
0.3483940064907074,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.051085948944092,
"b": 7.051085948944092,
"c": 5.449088096618652,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Pm3Ag
|
hard_negative
| false
| null | 0
| 0.085968
| 0.017924
| true
|
[
"metallic"
] | null |
mp-1186500
|
[
"Pm",
"Au"
] |
[
61,
61,
61,
61,
61,
61,
79,
79
] | 8
| 2
|
[
[
0.17902448773384094,
0.3580489754676819,
0.25
],
[
0.6419510245323181,
0.8209755420684814,
0.25
],
[
0.17902448773384094,
0.8209755420684814,
0.25
],
[
0.8209755420684814,
0.6419510245323181,
0.75
],
[
0.3580489754676819,
0.17902448773384094,
0.75
],
[
0.8209755420684814,
0.17902448773384094,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 7.0486297607421875,
"b": 7.0486297607421875,
"c": 5.177553176879883,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Pm3Au
|
hard_negative
| false
| null | 0
| 0
| -0.2908
| true
|
[
"metallic"
] | null |
mp-1186504
|
[
"Pm",
"Dy"
] |
[
61,
61,
61,
61,
61,
61,
66,
66
] | 8
| 2
|
[
[
0.33434680104255676,
0.16717340052127838,
0.75
],
[
0.8328266143798828,
0.16717340052127838,
0.75
],
[
0.8328266143798828,
0.6656531691551208,
0.75
],
[
0.6656531691551208,
0.8328266143798828,
0.25
],
[
0.16717340052127838,
0.8328266143798828,
0.25
],
[
0.16717340052127838,
0.33434680104255676,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.400484085083008,
"b": 7.400484085083008,
"c": 5.784506797790527,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Pm3Dy
|
hard_negative
| false
| null | 0
| 0.021593
| 0.021593
| true
|
[
"metallic"
] | null |
mp-1186514
|
[
"Pm",
"Hg"
] |
[
61,
61,
61,
61,
61,
61,
80,
80
] | 8
| 2
|
[
[
0.17623431980609894,
0.3524686396121979,
0.25
],
[
0.6475313901901245,
0.8237656950950623,
0.25
],
[
0.17623431980609894,
0.8237656950950623,
0.25
],
[
0.8237656950950623,
0.6475313901901245,
0.75
],
[
0.3524686396121979,
0.17623431980609894,
0.75
],
[
0.8237656950950623,
0.17623431980609894,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 7.044655799865723,
"b": 7.044655799865723,
"c": 5.486427307128906,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Pm3Hg
|
hard_negative
| false
| null | 0
| 0
| -0.224835
| true
|
[
"metallic"
] | null |
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