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,... | {
"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,... | {
"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... | {
"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,... | {
"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... | {
"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... | {
"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... | {
"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,
... | {
"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,
... | {
"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,
... | {
"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,
... | {
"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... | {
"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,
... | {
"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,
... | {
"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,... | {
"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,
... | {
"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,... | {
"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... | {
"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... | {
"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,
... | {
"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... | {
"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,... | {
"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,
... | {
"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,
... | {
"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,
0.83774447441101... | {
"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,
0.1778495013713836... | {
"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,... | {
"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... | {
"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,... | {
"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... | {
"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,... | {
"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,
... | {
"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,
... | {
"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... | {
"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,
... | {
"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,
... | {
"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... | {
"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,
0.2... | {
"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,
... | {
"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,
... | {
"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,
... | {
"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,... | {
"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,
... | {
"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... | {
"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,
... | {
"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,... | {
"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,... | {
"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,
... | {
"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,... | {
"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
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16370737552642822,
0.32741475105285645,
0.25
],
[
0.16370737552642822,
0.8362926244735718,
0.25
],
[
0.6725852489471436,
0.8362926244735718,... | {
"a": 5.523629665374756,
"b": 5.523629665374756,
"c": 4.419408798217773,
"alpha": 90,
"beta": 90,
"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,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1636485904455185,
0.327297180891037,
0.25
],
[
0.6727027893066406,
0.8363513946533203,
0.25
],
[
0.1636485904455185,
0.8363513946533203,
... | {
"a": 5.5653204917907715,
"b": 5.5653204917907715,
"c": 4.465421676635742,
"alpha": 90,
"beta": 90,
"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,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1731259971857071,
0.3462519943714142,
0.25
],
[
0.1731259971857071,
0.8268740177154541,
0.25
],
[
0.6537479758262634,
0.8268740177154541,
... | {
"a": 6.265155792236328,
"b": 6.265155792236328,
"c": 5.486159801483154,
"alpha": 90,
"beta": 90,
"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,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.36229100823402405,
0.18114550411701202,
0.75
],
[
0.8188545107841492,
0.18114550411701202,
0.75
],
[
0.8188545107841492,
0.6377090215682983,... | {
"a": 4.732118129730225,
"b": 4.732118129730225,
"c": 3.7173869609832764,
"alpha": 90,
"beta": 90,
"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 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16669298708438873,
0.33338597416877747,
0.25
],
[
0.16669298708438873,
0.8333070278167725,
0.25
],
[
0.6666140556335449,
0.8333070278167725,... | {
"a": 7.505978107452393,
"b": 7.505978107452393,
"c": 5.875371932983398,
"alpha": 90,
"beta": 90,
"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
],
[
0.8231664896011353,
0.17683349549770355,
0.75
],
[
0.8231664896011353,
0.6463329792022705,
0.75
],
[
0.6463329792022705,
0.8231664896011353,
0.25
],
[
0.17683349549770355,
0.8231664896011353,... | {
"a": 7.059340000152588,
"b": 7.059340000152588,
"c": 5.360619068145752,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 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 | [
[
0.3389039933681488,
0.1694519966840744,
0.75
],
[
0.8305479884147644,
0.1694519966840744,
0.75
],
[
0.8305479884147644,
0.6610959768295288,
0.75
],
[
0.6610959768295288,
0.8305479884147644,
0.25
],
[
0.1694519966840744,
0.8305479884147644,
... | {
"a": 7.1697516441345215,
"b": 7.1697516441345215,
"c": 5.601451873779297,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 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 | [
[
0.3481700122356415,
0.17408500611782074,
0.75
],
[
0.8259149789810181,
0.17408500611782074,
0.75
],
[
0.8259149789810181,
0.6518300175666809,
0.75
],
[
0.6518300175666809,
0.8259149789810181,
0.25
],
[
0.17408500611782074,
0.8259149789810181,... | {
"a": 7.16207218170166,
"b": 7.16207218170166,
"c": 5.617133140563965,
"alpha": 90,
"beta": 90,
"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,
0.16756130754947662,
0.75
],
[
0.8324387073516846,
0.16756130754947662,
0.75
],
[
0.8324387073516846,
0.6648774147033691,
0.75
],
[
0.6648774147033691,
0.8324387073516846,
0.25
],
[
0.16756130754947662,
0.8324387073516846... | {
"a": 7.443033695220947,
"b": 7.443033695220947,
"c": 5.824704170227051,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 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,
0.16839972138404846,
0.75
],
[
0.8316002488136292,
0.16839972138404846,
0.75
],
[
0.8316002488136292,
0.6632005572319031,
0.75
],
[
0.6632005572319031,
0.8316002488136292,
0.25
],
[
0.16839972138404846,
0.8316002488136292,... | {
"a": 7.4168853759765625,
"b": 7.4168853759765625,
"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
],
[
0.6551920175552368,
0.8275960087776184,
0.25
],
[
0.17240400612354279,
0.8275960087776184,
0.25
],
[
0.8275960087776184,
0.6551920175552368,
0.75
],
[
0.34480801224708557,
0.1724040061235427... | {
"a": 7.284516334533691,
"b": 7.284516334533691,
"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
],
[
0.8319295048713684,
0.16807051002979279,
0.75
],
[
0.8319295048713684,
0.6638590097427368,
0.75
],
[
0.6638590097427368,
0.8319295048713684,
0.25
],
[
0.16807051002979279,
0.8319295048713684... | {
"a": 7.429510116577148,
"b": 7.429510116577148,
"c": 5.870728969573975,
"alpha": 90,
"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,
0.16678330302238464,
0.75
],
[
0.833216667175293,
0.16678330302238464,
0.75
],
[
0.833216667175293,
0.6664333939552307,
0.75
],
[
0.6664333939552307,
0.833216667175293,
0.25
],
[
0.16678330302238464,
0.833216667175293,
... | {
"a": 7.493156909942627,
"b": 7.493156909942627,
"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
],
[
0.3423612713813782,
0.1711806356906891,
0.75
],
[
0.1711806356906891,
0.8288193941116333,
0.25
],
[
0.6576387286186218,
0.8288193941116333,
0.25
],
[
0.8288193941116333,
0.6576387286186218,
... | {
"a": 7.346799850463867,
"b": 7.346799850463867,
"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
],
[
0.16961100697517395,
0.8303890228271484,
0.25
],
[
0.6607779860496521,
0.8303890228271484,
0.25
],
[
0.8303890228271484,
0.6607779860496521,
0.75
],
[
0.8303890228271484,
0.16961100697517395,... | {
"a": 7.128979682922363,
"b": 7.128979682922363,
"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
],
[
0.8315011262893677,
0.16849885880947113,
0.75
],
[
0.8315011262893677,
0.6630022525787354,
0.75
],
[
0.6630022525787354,
0.8315011262893677,
0.25
],
[
0.16849885880947113,
0.8315011262893677... | {
"a": 7.414091110229492,
"b": 7.414091110229492,
"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
],
[
0.17646299302577972,
0.8235369920730591,
0.25
],
[
0.17646299302577972,
0.35292598605155945,
0.25
],
[
0.35292598605155945,
0.17646299302577972,
0.75
],
[
0.8235369920730591,
0.176462993025779... | {
"a": 7.111199855804443,
"b": 7.111199855804443,
"c": 5.390497207641602,
"alpha": 90,
"beta": 90,
"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 | [
[
0.33517006039619446,
0.16758503019809723,
0.75
],
[
0.832414984703064,
0.16758503019809723,
0.75
],
[
0.832414984703064,
0.6648299098014832,
0.75
],
[
0.6648299098014832,
0.832414984703064,
0.25
],
[
0.16758503019809723,
0.832414984703064,
... | {
"a": 7.462685585021973,
"b": 7.462685585021973,
"c": 5.904661178588867,
"alpha": 90,
"beta": 90,
"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 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1482817530632019,
0.2965635061264038,
0.25
],
[
0.1482817530632019,
0.8517182469367981,
0.25
],
[
0.7034364938735962,
0.8517182469367981,
... | {
"a": 6.527286529541016,
"b": 6.527286529541016,
"c": 4.796143054962158,
"alpha": 90,
"beta": 90,
"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 | [
[
0.17636094987392426,
0.3527218997478485,
0.25
],
[
0.17636094987392426,
0.8236390352249146,
0.25
],
[
0.6472780704498291,
0.8236390352249146,
0.25
],
[
0.8236390352249146,
0.6472780704498291,
0.75
],
[
0.8236390352249146,
0.17636094987392426,... | {
"a": 7.157188415527344,
"b": 7.157188415527344,
"c": 5.605746746063232,
"alpha": 90,
"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 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8432408571243286,
0.15675915777683258,
0.75
],
[
0.31351831555366516,
0.15675915777683258,
0.75
],
[
0.8432408571243286,
0.6864816546440125,... | {
"a": 6.78574800491333,
"b": 6.78574800491333,
"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 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16429811716079712,
0.32859623432159424,
0.25
],
[
0.16429811716079712,
0.8357018828392029,
0.25
],
[
0.6714037656784058,
0.8357018828392029,... | {
"a": 7.217225551605225,
"b": 7.217225551605225,
"c": 5.765940189361572,
"alpha": 90,
"beta": 90,
"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,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.838001549243927,
0.1619984358549118,
0.75
],
[
0.3239968717098236,
0.1619984358549118,
0.75
],
[
0.838001549243927,
0.6760031580924988,
... | {
"a": 6.77241849899292,
"b": 6.77241849899292,
"c": 5.009634971618652,
"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 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
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[
0.6666666865348816,
0.3333333432674408,
0.25
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[
0.8357161283493042,
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0.75
],
[
0.6714322566986084,
0.8357161283493042,
0.25
],
[
0.1642838567495346,
0.8357161283493042,
... | {
"a": 7.139149188995361,
"b": 7.139149188995361,
"c": 5.67618989944458,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 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 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
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[
0.3387250006198883,
0.16936250030994415,
0.75
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[
0.16936250030994415,
0.3387250006198883,
0.25
],
[
0.16936250030994415,
0.830637514591217,
... | {
"a": 7.665574073791504,
"b": 7.665574073791504,
"c": 6.183129787445068,
"alpha": 90,
"beta": 90,
"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 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
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[
0.16430312395095825,
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[
0.16430312395095825,
0.8356968760490417,
0.25
],
[
0.6713937520980835,
0.8356968760490417,
... | {
"a": 7.189032077789307,
"b": 7.189032077789307,
"c": 5.7346343994140625,
"alpha": 90,
"beta": 90,
"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,
0.6666666865348816,
0.75
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[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.833364725112915,
0.6667293906211853,
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[
0.833364725112915,
0.16663530468940735,
0.75
],
[
0.3332706093788147,
0.16663530468940735,
... | {
"a": 7.43026065826416,
"b": 7.43026065826416,
"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
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1649964302778244,
0.3299928605556488,
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[
0.1649964302778244,
0.8350035548210144,
0.25
],
[
0.6700071692466736,
0.8350035548210144,
... | {
"a": 7.354757308959961,
"b": 7.354757308959961,
"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
],
[
0.8367471098899841,
0.16325290501117706,
0.75
],
[
0.8367471098899841,
0.6734942197799683,
0.75
],
[
0.6734942197799683,
0.8367471098899841,
0.25
],
[
0.16325290501117706,
0.8367471098899841,... | {
"a": 5.087846279144287,
"b": 5.087846279144287,
"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
],
[
0.1693429946899414,
0.8306570053100586,
0.25
],
[
0.6613140106201172,
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0.25
],
[
0.8306570053100586,
0.6613140106201172,
0.75
],
[
0.8306570053100586,
0.1693429946899414,
... | {
"a": 7.347859859466553,
"b": 7.347859859466553,
"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,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8377044796943665,
0.16229550540447235,
0.75
],
[
0.3245910108089447,
0.16229550540447235,
0.75
],
[
0.8377044796943665,
0.6754090189933777,
... | {
"a": 5.21716833114624,
"b": 5.21716833114624,
"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,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1693270057439804,
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0.25
],
[
0.1693270057439804,
0.8306729793548584,
0.25
],
[
0.6613460183143616,
0.8306729793548584,
... | {
"a": 5.9612321853637695,
"b": 5.9612321853637695,
"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
],
[
0.8359044790267944,
0.16409550607204437,
0.75
],
[
0.8359044790267944,
0.6718090176582336,
0.75
],
[
0.6718090176582336,
0.8359044790267944,
0.25
],
[
0.16409550607204437,
0.8359044790267944... | {
"a": 5.152554035186768,
"b": 5.152554035186768,
"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
],
[
0.1841530054807663,
0.8158469796180725,
0.25
],
[
0.6316940188407898,
0.8158469796180725,
0.25
],
[
0.8158469796180725,
0.6316940188407898,
0.75
],
[
0.8158469796180725,
0.1841530054807663,
... | {
"a": 6.109703540802002,
"b": 6.109703540802002,
"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
],
[
0.6672536134719849,
0.8336268067359924,
0.25
],
[
0.16637317836284637,
0.8336268067359924,
0.25
],
[
0.8336268067359924,
0.6672536134719849,
0.75
],
[
0.33274635672569275,
0.1663731783628463... | {
"a": 5.528529644012451,
"b": 5.528529644012451,
"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
],
[
0.16833099722862244,
0.3366619944572449,
0.25
],
[
0.16833099722862244,
0.8316689729690552,
0.25
],
[
0.6633380055427551,
0.8316689729690552,
... | {
"a": 5.491968154907227,
"b": 5.491968154907227,
"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
],
[
0.3473620116710663,
0.17368100583553314,
0.75
],
[
0.8263189792633057,
0.17368100583553314,
0.75
],
[
0.8263189792633057,
0.6526380181312561,
... | {
"a": 6.6037678718566895,
"b": 6.6037678718566895,
"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
],
[
0.1720075011253357,
0.8279924988746643,
0.25
],
[
0.6559849977493286,
0.8279924988746643,
... | {
"a": 6.140416622161865,
"b": 6.140416622161865,
"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
],
[
0.1427258998155594,
0.2854517996311188,
0.25
],
[
0.1427258998155594,
0.8572741150856018,
0.25
],
[
0.7145481705665588,
0.8572741150856018,
... | {
"a": 5.893755912780762,
"b": 5.893755912780762,
"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,
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0.25
],
[
0.17327405512332916,
0.826725959777832,
0.25
],
[
0.6534518599510193,
0.826725959777832,
... | {
"a": 6.356369972229004,
"b": 6.356369972229004,
"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,
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0.75
],
[
0.3218161165714264,
0.1609080582857132,
0.75
],
[
0.839091956615448,
0.678183913230896,
0... | {
"a": 5.7713189125061035,
"b": 5.7713189125061035,
"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,
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],
[
0.2938348054885864,
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],
[
0.8530825972557068,
0.1469174027442932,
0.75
],
[
0.8530825972557068,
0.7061651945114136,
... | {
"a": 6.282679557800293,
"b": 6.282679557800293,
"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,
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],
[
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0.25
],
[
0.15744534134864807,
0.8425546884536743,
0.25
],
[
0.6851093173027039,
0.8425546884536743,... | {
"a": 5.3031840324401855,
"b": 5.3031840324401855,
"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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0.75
],
[
0.33571723103523254,
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0.75
],
[
0.8321413993835449,
0.6642827391624451,... | {
"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
],
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0.3333333432674408,
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],
[
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0.75
],
[
0.8335532546043396,
0.1664467751979828,
0.75
],
[
0.8335532546043396,
0.6671064496040344,
... | {
"a": 7.4476728439331055,
"b": 7.4476728439331055,
"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,... | {
"a": 7.05963659286499,
"b": 7.05963659286499,
"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,
0.1753383427858352... | {
"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,
... | {
"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,... | {
"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... | {
"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,... | {
"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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