ids stringlengths 4 10 | material_id stringlengths 4 10 | pretty_formula stringlengths 1 17 | cif stringlengths 689 1.73k | cif.conv stringlengths 696 5.07k | pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 11.8 | e_above_hull float64 0 0.08 | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | elements listlengths 1 7 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-11544 | mp-11544 | Yb2Pb | # generated using pymatgen
data_Yb2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30879600
_cell_length_b 7.34614600
_cell_length_c 9.57219400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | # generated using pymatgen
data_Yb2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30879600
_cell_length_b 7.34614600
_cell_length_c 9.57219400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | [
[
1.3271989999999996,
7.238767383918,
2.7709204303440007
],
[
3.981597,
0.107378616082,
6.801273569656001
],
[
1.3271989999999998,
3.565694383918,
2.015176569656
],
[
3.9815969999999994,
3.780451616082,
7.557017430344
],
[
3.9815969999999994,
5... | [
[
5.308796,
0,
3.250700014363136e-16
],
[
-4.498217092484566e-16,
7.346146,
4.498217092484566e-16
],
[
0,
0,
9.572194
]
] | [
70,
70,
70,
70,
70,
70,
70,
70,
82,
82,
82,
82
] | [
1,
1,
1
] | -0.549149 | 0 | 0 | 62 | 62 | [
"Pb",
"Yb"
] |
mp-22179 | mp-22179 | YTiSi | # generated using pymatgen
data_YTiSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03716600
_cell_length_b 4.03716600
_cell_length_c 7.59513900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | # generated using pymatgen
data_YTiSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03716600
_cell_length_b 4.03716600
_cell_length_c 7.59513900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | [
[
-1.2360256048816309e-16,
2.018583,
2.6150139528390004
],
[
2.018583,
0,
4.980125047161001
],
[
0,
0,
0
],
[
2.018583,
2.018583,
2.4720512097632617e-16
],
[
-1.2360256048816309e-16,
2.018583,
5.79843291816
],
[
2.018583,
0,
... | [
[
4.037166,
0,
2.4720512097632617e-16
],
[
-2.4720512097632617e-16,
4.037166,
2.4720512097632617e-16
],
[
0,
0,
7.595139
]
] | [
39,
39,
22,
22,
14,
14
] | [
1,
1,
1
] | -0.648747 | 0 | 0 | 129 | 129 | [
"Y",
"Ti",
"Si"
] |
mp-1070755 | mp-1070755 | Y2GaNi2 | # generated using pymatgen
data_Y2GaNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40881014
_cell_length_b 5.40881014
_cell_length_c 5.40881014
_cell_angle_alpha 135.35713776
_cell_angle_beta 118.64933894
_cell_angle_gamma 78.99186834
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Y2GaNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10855600
_cell_length_b 5.51885400
_cell_length_c 8.34763000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.1217268002537095,
1.3553563455038273,
2.676668911336746
],
[
3.8349449576753405,
3.248341763583038,
6.885821613878119
],
[
0,
0,
0
],
[
2.2261335796761337,
1.2974510306877332,
5.395523444626957
],
[
2.7305381782529157,
3.306247078399132,
... | [
[
3.800692533792172,
0,
1.560438614485216
],
[
1.1559792241368774,
4.603698109086865,
2.5932417712817952
],
[
0,
0,
5.408810139447853
]
] | [
39,
39,
31,
28,
28
] | [
1,
1,
1
] | -0.55807 | 0 | 0 | 71 | 71 | [
"Ga",
"Ni",
"Y"
] |
mp-7289 | mp-7289 | K2Te3 | # generated using pymatgen
data_K2Te3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61694600
_cell_length_b 10.41162100
_cell_length_c 16.04268100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2Te3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61694600
_cell_length_b 10.41162100
_cell_length_c 16.04268100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.343070578302,
10.119252270699,
6.040967786636002
],
[
1.034597578302,
0.292368729301,
1.9803727133640003
],
[
1.273875421698,
4.9134417706989995,
10.001713213364
],
[
3.5823484216979997,
5.498179229301001,
14.062308286636002
],
[
1.273875421698... | [
[
4.616946,
0,
2.827064070368088e-16
],
[
-6.375279165792683e-16,
10.411621,
6.375279165792683e-16
],
[
0,
0,
16.042681
]
] | [
19,
19,
19,
19,
19,
19,
19,
19,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.956301 | 0.6825 | 0 | 62 | 62 | [
"K",
"Te"
] |
mp-574379 | mp-574379 | CsHg2 | # generated using pymatgen
data_CsHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15942473
_cell_length_b 7.15942473
_cell_length_c 7.15942473
_cell_angle_alpha 132.32732555
_cell_angle_beta 102.15901014
_cell_angle_gamma 96.66184485
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CsHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78661200
_cell_length_b 8.99569400
_cell_length_c 9.51956201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
0.7920333879256761,
1.24216754738763,
5.366724742825195
],
[
6.997877888974407,
5.296106977770435,
5.639174731122555
],
[
2.362387243232566,
1.5552855143974496,
1.8123627921313126
],
[
5.427524033667518,
4.982989010760616,
9.193536681816438
],
[
... | [
[
5.293034563161002,
0,
2.3385173912794444
],
[
2.4968767137390824,
6.538274525158066,
1.5079573517152804
],
[
0,
0,
7.159424730953024
]
] | [
55,
55,
80,
80,
80,
80
] | [
1,
1,
1
] | -0.256541 | 0 | 0 | 74 | 74 | [
"Cs",
"Hg"
] |
mp-1223641 | mp-1223641 | K2MgCuF6 | # generated using pymatgen
data_K2MgCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76078700
_cell_length_b 5.76078700
_cell_length_c 4.07131500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K2MgCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76078700
_cell_length_b 5.76078700
_cell_length_c 4.07131500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0356574999999997,
5.760787,
2.8803935000000003
],
[
2.0356575,
2.8803935,
3.010213060797573e-16
],
[
4.071315,
2.8803935,
2.8803935000000003
],
[
0,
0,
0
],
[
-8.905296232691874e-17,
1.454345242872,
1.454345242872
],
[
4.071315,... | [
[
4.071315,
0,
2.4929614415353034e-16
],
[
-3.5274646800598417e-16,
5.760787,
3.5274646800598417e-16
],
[
0,
0,
5.760787
]
] | [
19,
19,
12,
29,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.932797 | 0 | 0.021066 | 123 | 123 | [
"Cu",
"F",
"K",
"Mg"
] |
mp-30493 | mp-30493 | ZnCdPt2 | # generated using pymatgen
data_ZnCdPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95412800
_cell_length_b 2.95412800
_cell_length_c 7.38740800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ZnCdPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95412800
_cell_length_b 2.95412800
_cell_length_c 7.38740800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0,
0,
3.693704
],
[
1.477064,
1.477064,
1.65998751464
],
[
1.477064,
1.477064,
5.72742048536
]
] | [
[
2.954128,
0,
1.808881699735786e-16
],
[
-1.808881699735786e-16,
2.954128,
1.808881699735786e-16
],
[
0,
0,
7.387408
]
] | [
30,
48,
78,
78
] | [
1,
1,
1
] | -0.444146 | 0 | 0 | 123 | 123 | [
"Zn",
"Cd",
"Pt"
] |
mp-1223075 | mp-1223075 | La3UAl8 | # generated using pymatgen
data_La3UAl8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.89323244
_cell_length_b 9.89323244
_cell_length_c 9.89323296
_cell_angle_alpha 33.39732329
_cell_angle_beta 33.39732329
_cell_angle_gamma 33.39732245
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_La3UAl8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68540615
_cell_length_b 5.68540615
_cell_length_c 27.99844519
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
4.951180947258807,
3.030216909713885,
3.281919662865352
],
[
0.015173380266228954,
0.00928639731611945,
9.842653157090613
],
[
3.94915943884726,
2.416960688414452,
6.622114762254385
],
[
0.9917131179539155,
0.6069472902768369,
6.587400431673693
],
[
... | [
[
5.44564805436388,
0,
1.6336345811518356
],
[
2.477788115990665,
4.8492936376602875,
1.6336345811518356
],
[
0,
0,
9.89323296
]
] | [
57,
57,
57,
92,
13,
13,
13,
13,
13,
13,
13,
13
] | [
1,
1,
1
] | -0.359234 | 0 | 0.066307 | 160 | 160 | [
"Al",
"La",
"U"
] |
mp-1103621 | mp-1103621 | TaTl(PO4)2 | # generated using pymatgen
data_TaTl(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24939126
_cell_length_b 5.24935271
_cell_length_c 8.20920510
_cell_angle_alpha 89.99999830
_cell_angle_beta 89.99099536
_cell_angle_gamma 119.99976030
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_TaTl(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24937198
_cell_length_b 5.24937198
_cell_length_c 8.20920510
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
-2.624520502331311,
4.545847587429063,
8.209204944256669
],
[
-0.0012020928988984833,
0.002082106464578669,
4.104602549928666
],
[
-0.0002928110316563939,
3.03017106434078,
1.780646203232461
],
[
2.625277857775503,
1.5154780107543242,
6.429383894342863
... | [
[
5.249390939053502,
0,
0.0008251533118544637
],
[
-2.6246569844945054,
4.546083983796221,
-1.557514300877533e-7
],
[
0,
0,
8.2092051
]
] | [
73,
81,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.759896 | 3.139 | 0 | 164 | 164 | [
"O",
"P",
"Ta",
"Tl"
] |
mp-27801 | mp-27801 | TlAgI2 | # generated using pymatgen
data_TlAgI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19058260
_cell_length_b 7.19058260
_cell_length_c 7.19058260
_cell_angle_alpha 107.37996110
_cell_angle_beta 107.37996110
_cell_angle_gamma 113.73993750
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TlAgI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51586600
_cell_length_b 8.51586600
_cell_length_c 7.85989600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.36752695682004,
4.331838015455306,
3.968766204750931
],
[
0.7891756522733466,
1.4439460051517694,
6.116643801583644
],
[
-1.063620808736969,
4.331838015455306,
1.447413703165254
],
[
4.220323417830355,
1.4439460051517687,
1.4474137031693202
],
[
... | [
[
6.862295531114016,
0,
-2.147877596828647
],
[
-3.7055929220206307,
5.775784020607075,
-2.1478775968367794
],
[
0,
0,
7.190582600000001
]
] | [
81,
81,
47,
47,
53,
53,
53,
53
] | [
1,
1,
1
] | -0.638947 | 1.8257 | 0.031584 | 140 | 140 | [
"Ag",
"I",
"Tl"
] |
mp-9158 | mp-9158 | LiCuO2 | # generated using pymatgen
data_LiCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.23430120
_cell_length_b 3.23430120
_cell_length_c 5.56850708
_cell_angle_alpha 64.00619060
_cell_angle_beta 64.00619060
_cell_angle_gamma 50.02944835
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86184200
_cell_length_b 2.73525600
_cell_length_c 5.56850708
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.92339830
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.6391723621463867,
1.463719809546699,
2.7871740679043566
],
[
0,
0,
0
],
[
2.2646986446457698,
2.676941538327195,
2.055015357135048
],
[
1.6474163154829422,
0.25049808076620367,
4.257492469956073
]
] | [
[
2.6337702358359385,
0,
0.7381596912824087
],
[
1.2783447242927735,
2.927439619093398,
0.5065928293576315
],
[
0,
0,
5.067755306451081
]
] | [
3,
29,
8,
8
] | [
1,
1,
1
] | -1.450581 | 0.3752 | 0 | 12 | 12 | [
"Li",
"Cu",
"O"
] |
mp-1188570 | mp-1188570 | UTcC2 | # generated using pymatgen
data_UTcC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18878000
_cell_length_b 5.59676100
_cell_length_c 11.00098500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_UTcC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18878000
_cell_length_b 5.59676100
_cell_length_c 11.00098500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.797195,
0.463898729007,
9.43635890739
],
[
0.7971949999999998,
3.262279229007,
7.06511859261
],
[
2.3915849999999996,
5.132862270993,
1.5646260926100004
],
[
2.391585,
2.334481770993,
3.9358664073900003
],
[
0.7971949999999999,
2.3381588429... | [
[
3.18878,
0,
1.9525646100925485e-16
],
[
-3.42702772212137e-16,
5.596761,
3.42702772212137e-16
],
[
0,
0,
11.000985
]
] | [
92,
92,
92,
92,
43,
43,
43,
43,
6,
6,
6,
6,
6,
6,
6,
6
] | [
1,
1,
1
] | -0.179263 | 0 | 0 | 62 | 62 | [
"C",
"Tc",
"U"
] |
mp-20559 | mp-20559 | Ga3Co | # generated using pymatgen
data_Ga3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27048100
_cell_length_b 6.27048100
_cell_length_c 6.46649100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | # generated using pymatgen
data_Ga3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27048100
_cell_length_b 6.27048100
_cell_length_c 6.46649100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | [
[
3.1352405,
0,
1.9197811214410736e-16
],
[
3.1352405,
0,
3.2332455
],
[
-1.9197811214410736e-16,
3.1352405,
1.9197811214410736e-16
],
[
-1.9197811214410736e-16,
3.1352405,
3.2332455
],
[
4.083845136161,
2.186635863839,
4.817503462545001
... | [
[
6.270481,
0,
3.839562242882147e-16
],
[
-3.839562242882147e-16,
6.270481,
3.839562242882147e-16
],
[
0,
0,
6.466491
]
] | [
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
27,
27,
27,
27
] | [
1,
1,
1
] | -0.268388 | 0 | 0 | 136 | 136 | [
"Co",
"Ga"
] |
mp-754981 | mp-754981 | V6O7F5 | # generated using pymatgen
data_V6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75405242
_cell_length_b 4.75405242
_cell_length_c 9.14497500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 94.28702461
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_V6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46707400
_cell_length_b 6.97000800
_cell_length_c 9.14497500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.30297687012827695,
4.692129856880012,
3.1160313465750002
],
[
-0.30297687012827695,
4.692129856880012,
6.028943653425
],
[
-0.3523237607222678,
4.737916030029581,
9.144975
],
[
2.0408880255906308,
2.5173909287974587,
4.5724875
],
[
2.215630587... | [
[
4.75405242,
0,
2.911017539565864e-16
],
[
-0.355379200831525,
4.740750999127059,
2.911017539565864e-16
],
[
0,
0,
9.144975
]
] | [
23,
23,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.739761 | 0.2647 | 0.047471 | 38 | 38 | [
"F",
"O",
"V"
] |
mp-1221267 | mp-1221267 | Na2TiTeO6 | # generated using pymatgen
data_Na2TiTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15926259
_cell_length_b 6.15926259
_cell_length_c 6.15926246
_cell_angle_alpha 50.87330406
_cell_angle_beta 50.87330406
_cell_angle_gamma 50.87330848
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Na2TiTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29096576
_cell_length_b 5.29096576
_cell_length_c 16.04511398
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
5.6947686918179965,
3.7863667118233217,
6.504405126763083
],
[
0.9172825814984925,
0.6098874984881049,
4.2306547189521035
],
[
4.349894049363075,
2.8921796335873178,
3.172772558023422
],
[
2.2575516931229775,
1.5010124280100285,
7.571970522270037
],
... | [
[
4.7780631723038525,
0,
2.2725378782927788
],
[
1.8485998930717897,
4.4059693727784035,
2.2725378782927788
],
[
0,
0,
6.15926246
]
] | [
11,
11,
22,
52,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.361121 | 2.4639 | 0 | 146 | 146 | [
"Na",
"O",
"Te",
"Ti"
] |
mp-19975 | mp-19975 | Sr2PrO4 | # generated using pymatgen
data_Sr2PrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73472000
_cell_length_b 6.28152600
_cell_length_c 10.38793700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr2PrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73472000
_cell_length_b 6.28152600
_cell_length_c 10.38793700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.86736,
0.40186690737600006,
3.354867357646001
],
[
1.8673599999999995,
5.879659092624,
7.033069642354001
],
[
1.8673599999999997,
2.7388960926240005,
8.548835857646
],
[
1.8673599999999997,
3.5426299073760004,
1.8391011423540005
],
[
0,
0,
... | [
[
3.73472,
0,
2.2868564468558013e-16
],
[
-3.846325354830439e-16,
6.281526,
3.846325354830439e-16
],
[
0,
0,
10.387937
]
] | [
38,
38,
38,
38,
59,
59,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.066662 | 0 | 0.058649 | 55 | 55 | [
"O",
"Pr",
"Sr"
] |
mp-1104848 | mp-1104848 | Yb(Al2Cu)4 | # generated using pymatgen
data_Yb(Al2Cu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75916107
_cell_length_b 6.75916107
_cell_length_c 6.75916107
_cell_angle_alpha 98.25179372
_cell_angle_beta 98.25179372
_cell_angle_gamma 135.47567326
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Yb(Al2Cu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.84637800
_cell_length_b 8.84637800
_cell_length_c 5.12135000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
0.8228523173213115,
2.172002049759268,
4.749059836515792
],
[
6.286555306617872,
4.083331826237979,
4.92039870717458
],
[
3.192654858668406,
4.083331826237979,
5.719158994426515
],
[
3.9167527652707776,
2.172002049759268,
3.9... | [
[
4.739605083442814,
0,
1.9401983161279013
],
[
2.36980254049637,
6.2553338759972466,
0.97009915756247
],
[
0,
0,
6.75916107
]
] | [
70,
13,
13,
13,
13,
13,
13,
13,
13,
29,
29,
29,
29
] | [
1,
1,
1
] | -0.285657 | 0 | 0 | 139 | 139 | [
"Al",
"Cu",
"Yb"
] |
mp-865426 | mp-865426 | YbNdAg2 | # generated using pymatgen
data_YbNdAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24899082
_cell_length_b 5.24899082
_cell_length_c 5.24899082
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbNdAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42319401
_cell_length_b 7.42319401
_cell_length_c 7.42319401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.030506262900874,
2.14289152892551,
5.248990820000001
],
[
1.5152531314504372,
1.0714457644627555,
2.6244954100000006
],
[
4.545759394351311,
3.2143372933882652,
7.873486230000001
]
] | [
[
4.545759394351312,
0,
2.6244954100000006
],
[
1.5152531314504358,
4.28578305785102,
2.6244954100000015
],
[
0,
0,
5.2489908199999995
]
] | [
70,
60,
47,
47
] | [
1,
1,
1
] | -0.367167 | 0 | 0 | 225 | 225 | [
"Yb",
"Nd",
"Ag"
] |
mp-1217034 | mp-1217034 | U4(TeSe)3 | # generated using pymatgen
data_U4(TeSe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04110200
_cell_length_b 11.37704500
_cell_length_c 11.81657900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_U4(TeSe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04110200
_cell_length_b 11.37704500
_cell_length_c 11.81657900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.0308265,
5.671536571815,
7.947582887241001
],
[
3.0308265000000003,
0.016997305230000002,
2.0392933872410004
],
[
1.0102754999999997,
5.60437787518,
3.6565103891810007
],
[
1.0102755,
0.08414462482,
9.564799889181002
],
[
1.0102754999999999,
... | [
[
4.041102,
0,
2.474461314663984e-16
],
[
-6.9664308715027e-16,
11.377045,
6.9664308715027e-16
],
[
0,
0,
11.816579
]
] | [
92,
92,
92,
92,
92,
92,
92,
92,
52,
52,
52,
52,
52,
52,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.169923 | 0 | 0.008985 | 26 | 26 | [
"Se",
"Te",
"U"
] |
mp-1018812 | mp-1018812 | NbGeAs | # generated using pymatgen
data_NbGeAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60256600
_cell_length_b 3.60256600
_cell_length_c 8.01020400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbGeAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60256600
_cell_length_b 3.60256600
_cell_length_c 8.01020400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.1029677301542709e-16,
1.801283,
5.923674021264
],
[
1.801283,
0,
2.086529978736
],
[
0,
0,
0
],
[
1.801283,
1.801283,
2.2059354603085417e-16
],
[
-1.1029677301542709e-16,
1.801283,
3.120270835548
],
[
1.801283,
0,
4.889... | [
[
3.602566,
0,
2.2059354603085417e-16
],
[
-2.2059354603085417e-16,
3.602566,
2.2059354603085417e-16
],
[
0,
0,
8.010204
]
] | [
41,
41,
32,
32,
33,
33
] | [
1,
1,
1
] | -0.444357 | 0 | 0.001014 | 129 | 129 | [
"As",
"Ge",
"Nb"
] |
mp-11342 | mp-11342 | GaSe | # generated using pymatgen
data_GaSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.13031202
_cell_length_b 9.13031202
_cell_length_c 9.13031129
_cell_angle_alpha 24.13885574
_cell_angle_beta 24.13885574
_cell_angle_gamma 24.13885501
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga... | # generated using pymatgen
data_GaSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81823798
_cell_length_b 3.81823798
_cell_length_c 26.58056648
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.2580324557481335,
3.1282773345493644,
2.8003947812996617
],
[
0.2554732097361726,
0.15199431694807464,
7.93552521688147
],
[
1.3377210429412891,
0.7958799139796385,
2.874115294050355
],
[
2.3374254379574686,
1.3906561209541022,
7.329052247797217
]
] | [
[
3.73383575576681,
0,
0.7983806534960106
],
[
1.7815616910417518,
3.2813971707269993,
0.7983806534960105
],
[
0,
0,
9.13031129
]
] | [
31,
31,
34,
34
] | [
1,
1,
1
] | -0.825038 | 1.362 | 0.002139 | 160 | 160 | [
"Ga",
"Se"
] |
mp-644285 | mp-644285 | KAlH2CO5 | # generated using pymatgen
data_KAlH2CO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81492200
_cell_length_b 6.81492200
_cell_length_c 5.72201000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 123.40916967
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_KAlH2CO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46078800
_cell_length_b 12.00128601
_cell_length_c 5.72201000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.4305025000000007,
1.9720758670407679,
3.663244560149007
],
[
4.291507500000002,
3.7167467392189097,
0.08914923856040431
],
[
2.861005,
0,
1.7518603077972867e-16
],
[
0,
0,
0
],
[
4.291507500000002,
3.61741420769101,
3.7361255991611393
... | [
[
5.72201,
0,
3.5037206155945735e-16
],
[
2.178004816407383e-15,
5.688822606259677,
-3.0625282012905894
],
[
0,
0,
6.814922
]
] | [
19,
19,
13,
13,
1,
1,
1,
1,
6,
6,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.199763 | 5.0949 | 0 | 63 | 63 | [
"Al",
"C",
"H",
"K",
"O"
] |
mp-1174383 | mp-1174383 | Li5Mn2CoO8 | # generated using pymatgen
data_Li5Mn2CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96856380
_cell_length_b 5.81896498
_cell_length_c 5.88526763
_cell_angle_alpha 60.00454905
_cell_angle_beta 74.38632541
_cell_angle_gamma 73.39405354
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li5Mn2CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96856380
_cell_length_b 5.81896498
_cell_length_c 5.88526763
_cell_angle_alpha 60.00454905
_cell_angle_beta 74.38632541
_cell_angle_gamma 73.39405354
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.306998726684138,
2.386909471248037,
2.9191576949109463
],
[
0.8139406787830871,
2.4038346390582066,
7.2502585428761215
],
[
5.768431761572381,
2.417390133640146,
4.446687917884217
],
[
3.288193191990208,
2.4141068622895623,
5.8684261669520925
],
[
... | [
[
4.9681114933740815,
0,
0.06704046594999849
],
[
1.6245460476021876,
4.800104313717994,
2.8601052699354317
],
[
0,
0,
5.85280034183498
]
] | [
3,
3,
3,
3,
3,
25,
25,
27,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.028344 | 1.4664 | 0.044722 | 1 | 1 | [
"Co",
"Li",
"Mn",
"O"
] |
mp-12775 | mp-12775 | ThRu | # generated using pymatgen
data_ThRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11766344
_cell_length_b 6.11766344
_cell_length_c 4.00964500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 142.94072107
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_ThRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88832800
_cell_length_b 11.60104001
_cell_length_c 4.00964500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
0.5061582375752005,
3.00723375,
1.5101508823003098
],
[
3.1805964482760194,
1.0024112500000002,
3.3718206304665053
],
[
1.4990823830780227,
3.00723375,
4.472594567049374
],
[
2.1876723027731972,
1.0024112500000002,
0.4093769457174413
]
] | [
[
3.68675468585122,
0,
-1.2356919272331863
],
[
6.448000941662676e-16,
4.009645,
2.4551994574835946e-16
],
[
0,
0,
6.117663440000001
]
] | [
90,
90,
44,
44
] | [
1,
1,
1
] | -0.536155 | 0 | 0 | 63 | 63 | [
"Ru",
"Th"
] |
mp-9387 | mp-9387 | TbCuGe | # generated using pymatgen
data_TbCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26802828
_cell_length_b 4.26802828
_cell_length_c 7.31193400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000440
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TbCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26802828
_cell_length_b 4.26802828
_cell_length_c 7.31193400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
1.813001347234001
],
[
0,
0,
5.468968347234
],
[
-1.4307022240717837e-16,
2.4641473309937734,
3.4397750474220006
],
[
2.1340139980753037,
1.2320736654968867,
7.095742047422001
],
[
2.1340139980753037,
1.2320736654968867,
3.810373110... | [
[
4.268027996150607,
0,
1.2090339314220913e-15
],
[
-2.134013998075305,
3.6962209964906605,
2.613413585886192e-16
],
[
0,
0,
7.311934
]
] | [
65,
65,
29,
29,
32,
32
] | [
1,
1,
1
] | -0.689097 | 0 | 0 | 186 | 186 | [
"Tb",
"Cu",
"Ge"
] |
mp-21165 | mp-21165 | PdSe | # generated using pymatgen
data_PdSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84495800
_cell_length_b 6.84495800
_cell_length_c 7.03218600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pd... | # generated using pymatgen
data_PdSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84495800
_cell_length_b 6.84495800
_cell_length_c 7.03218600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pd... | [
[
3.627328058066,
5.058622465782,
5.318610753291366e-16
],
[
1.7863355342179998,
3.6273280580660003,
3.5160930000000006
],
[
5.058622465782,
3.217629941934,
3.5160930000000006
],
[
3.217629941934,
1.786335534218,
3.0640451517067044e-16
],
[
3.42247... | [
[
6.844958,
0,
4.1913279524990345e-16
],
[
-4.1913279524990345e-16,
6.844958,
4.1913279524990345e-16
],
[
0,
0,
7.032186
]
] | [
46,
46,
46,
46,
46,
46,
46,
46,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.5608 | 0 | 0 | 84 | 84 | [
"Pd",
"Se"
] |
mp-977563 | mp-977563 | LiNbIr2 | # generated using pymatgen
data_LiNbIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36759494
_cell_length_b 4.36759494
_cell_length_c 4.36759494
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiNbIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17671200
_cell_length_b 6.17671200
_cell_length_c 6.17671200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.521632114320246,
1.783063167693618,
4.367594939999998
],
[
1.2608160571601232,
0.8915315838468082,
2.183797469999999
],
[
3.78244817148037,
2.674594751540427,
6.551392409999998
]
] | [
[
3.7824481714803713,
0,
2.1837974699999996
],
[
1.2608160571601226,
3.566126335387236,
2.18379747
],
[
0,
0,
4.367594939999999
]
] | [
3,
41,
77,
77
] | [
1,
1,
1
] | -0.487711 | 0 | 0 | 225 | 225 | [
"Li",
"Nb",
"Ir"
] |
mp-1232273 | mp-1232273 | SmS2 | # generated using pymatgen
data_SmS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93034100
_cell_length_b 3.93034100
_cell_length_c 8.12410500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... | # generated using pymatgen
data_SmS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93034100
_cell_length_b 3.93034100
_cell_length_c 8.12410500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm... | [
[
-1.2033198813019017e-16,
1.9651705,
5.894606864850001
],
[
1.9651705,
0,
2.22949813515
],
[
0,
0,
0
],
[
1.9651704999999997,
1.9651705,
2.4066397626038035e-16
],
[
-1.2033198813019017e-16,
1.9651705,
2.980661007555
],
[
1.9651705,... | [
[
3.930341,
0,
2.4066397626038035e-16
],
[
-2.4066397626038035e-16,
3.930341,
2.4066397626038035e-16
],
[
0,
0,
8.124105
]
] | [
62,
62,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.002334 | 0 | 0.069363 | 129 | 129 | [
"S",
"Sm"
] |
mp-1080768 | mp-1080768 | LuSnPd | # generated using pymatgen
data_LuSnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61818771
_cell_length_b 7.61818771
_cell_length_c 3.79249800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999745
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuSnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61818771
_cell_length_b 7.61818771
_cell_length_c 3.79249800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8962490000000012,
3.954455869504632,
5.335081431911934
],
[
1.8962490000000012,
2.6430883876808933,
1.5259876352755188
],
[
1.896249,
2.0764104071498131e-16,
4.56621220418293
],
[
3.792498000000001,
1.747155072643614,
-1.0087205033459454
],
[
3... | [
[
3.792498,
0,
2.3222352682363693e-16
],
[
2.5259151432845757e-15,
6.597544257185526,
-3.809094148629616
],
[
0,
0,
7.61818771
]
] | [
71,
71,
71,
50,
50,
50,
46,
46,
46
] | [
1,
1,
1
] | -0.911438 | 0 | 0 | 189 | 189 | [
"Lu",
"Pd",
"Sn"
] |
mp-780873 | mp-780873 | Li2Cr3CuO8 | # generated using pymatgen
data_Li2Cr3CuO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91756034
_cell_length_b 5.91756034
_cell_length_c 5.91755988
_cell_angle_alpha 59.85601799
_cell_angle_beta 59.85601799
_cell_angle_gamma 59.85602514
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li2Cr3CuO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90467757
_cell_length_b 5.90467757
_cell_length_c 14.51075535
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0.8658944659718044,
0.6116152675442728,
4.4134251560736315
],
[
5.962118513342979,
4.211278455944846,
7.395956232582529
],
[
4.269359922947321,
4.82289372348912,
4.41886613149212
],
[
3.4140064896573916,
2.4114468617445595,
2.9459107543280796
],
[
... | [
[
5.117306112734925,
0,
2.945910754328079
],
[
1.7107068665798588,
4.82289372348912,
2.945910754328079
],
[
0,
0,
5.91755988
]
] | [
3,
3,
24,
24,
24,
29,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.957756 | 0 | 0.066276 | 166 | 166 | [
"Cr",
"Cu",
"Li",
"O"
] |
mp-861992 | mp-861992 | PaNi2Sb | # generated using pymatgen
data_PaNi2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61879321
_cell_length_b 4.61879321
_cell_length_c 4.61879321
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PaNi2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53196000
_cell_length_b 6.53196000
_cell_length_c 6.53196000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.666661503124715,
1.8856144319885977,
4.61879321
],
[
3.999992254687073,
2.8284216479828963,
6.928189815
],
[
1.3333307515623591,
0.942807215994298,
2.3093966050000003
],
[
0,
0,
0
]
] | [
[
3.999992254687073,
0,
2.3093966050000003
],
[
1.3333307515623576,
3.7712288639771954,
2.309396605
],
[
0,
0,
4.618793209999999
]
] | [
91,
28,
28,
51
] | [
1,
1,
1
] | -0.468558 | 0 | 0.008685 | 225 | 225 | [
"Pa",
"Ni",
"Sb"
] |
mp-9721 | mp-9721 | Ca3GeO | # generated using pymatgen
data_Ca3GeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74269300
_cell_length_b 4.74269300
_cell_length_c 4.74269300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ca3GeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74269300
_cell_length_b 4.74269300
_cell_length_c 4.74269300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.3713465,
2.3713465,
2.904061900894279e-16
],
[
2.3713465,
0,
2.3713465
],
[
-1.4520309504471395e-16,
2.3713465,
2.3713465
],
[
0,
0,
0
],
[
2.3713465,
2.3713465,
2.3713465000000005
]
] | [
[
4.742693,
0,
2.904061900894279e-16
],
[
-2.904061900894279e-16,
4.742693,
2.904061900894279e-16
],
[
0,
0,
4.742693
]
] | [
20,
20,
20,
32,
8
] | [
1,
1,
1
] | -1.704649 | 0.7671 | 0 | 221 | 221 | [
"Ca",
"Ge",
"O"
] |
mp-1078441 | mp-1078441 | Ba2UCu2Se5 | # generated using pymatgen
data_Ba2UCu2Se5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.39118942
_cell_length_b 7.39118942
_cell_length_c 9.76871010
_cell_angle_alpha 65.21943003
_cell_angle_beta 65.21943003
_cell_angle_gamma 33.36623586
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ba2UCu2Se5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.16014599
_cell_length_b 4.24370000
_cell_length_c 9.76871010
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.94846077
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.2787417372839394,
2.37084870148362,
3.904944755778014
],
[
4.441613993882587,
4.37354138150703,
9.083945580859229
],
[
0,
0,
0
],
[
2.5803004044223123,
1.2502885223649733,
7.710732070262266
],
[
3.140055326744214,
5.494101560625676,
5.2... | [
[
4.135622168769691,
0,
0.9516401361114373
],
[
1.5847335623968348,
6.744390082990648,
2.5751704772675437
],
[
0,
0,
9.462079723258263
]
] | [
56,
56,
92,
29,
29,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.506169 | 0 | 0 | 12 | 12 | [
"Ba",
"Cu",
"Se",
"U"
] |
mp-1225816 | mp-1225816 | ErGa2Ni3 | # generated using pymatgen
data_ErGa2Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.70205328
_cell_length_b 8.70205328
_cell_length_c 4.07280300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999454
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_ErGa2Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.70205328
_cell_length_b 8.70205328
_cell_length_c 4.07280300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.036401500000001,
2.5120665400655495,
4.3510264006126835
],
[
2.036401500000002,
5.024133080131099,
-4.78774633028297e-7
],
[
0,
0,
0
],
[
1.4876879806076821e-15,
3.8857549585688336,
6.458611361803401
],
[
1.397597816867323e-15,
3.6504446616... | [
[
4.072803,
0,
2.493872578753869e-16
],
[
2.885285797475005e-15,
7.536199620196648,
-4.351027358161948
],
[
0,
0,
8.70205328
]
] | [
68,
68,
68,
31,
31,
31,
31,
31,
31,
28,
28,
28,
28,
28,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.561163 | 0 | 0 | 189 | 189 | [
"Er",
"Ga",
"Ni"
] |
mp-13382 | mp-13382 | CeZnPd | # generated using pymatgen
data_CeZnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35413412
_cell_length_b 7.35413412
_cell_length_c 3.99498200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000104
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeZnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35413412
_cell_length_b 7.35413412
_cell_length_c 3.99498200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.994982000000002,
6.368866904013912,
-0.6553341299633154
],
[
3.9949820000000007,
2.616897353323372,
5.843267760284075
],
[
3.994982000000001,
3.75196955069054,
2.1662007208872502
],
[
1.997491000000002,
6.368866904013912,
1.885041189778885
],
[
... | [
[
3.994982,
0,
2.4462209594756457e-16
],
[
2.4383644476339455e-15,
6.368866904013912,
-3.677066944395996
],
[
0,
0,
7.35413412
]
] | [
58,
58,
58,
30,
30,
30,
46,
46,
46
] | [
1,
1,
1
] | -0.639769 | 0 | 0 | 189 | 189 | [
"Ce",
"Pd",
"Zn"
] |
mp-1068377 | mp-1068377 | CsEuCl3 | # generated using pymatgen
data_CsEuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68284600
_cell_length_b 5.68284600
_cell_length_c 5.68284600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CsEuCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68284600
_cell_length_b 5.68284600
_cell_length_c 5.68284600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.841423,
2.841423,
2.8414230000000003
],
[
2.841423,
2.841423,
3.4797395819736693e-16
],
[
2.841423,
0,
2.841423
],
[
-1.7398697909868347e-16,
2.841423,
2.841423
]
] | [
[
5.682846,
0,
3.4797395819736693e-16
],
[
-3.4797395819736693e-16,
5.682846,
3.4797395819736693e-16
],
[
0,
0,
5.682846
]
] | [
55,
63,
17,
17,
17
] | [
1,
1,
1
] | -2.597398 | 0.7364 | 0.006628 | 221 | 221 | [
"Cl",
"Cs",
"Eu"
] |
mp-1209723 | mp-1209723 | NpTl2F6 | # generated using pymatgen
data_NpTl2F6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12085275
_cell_length_b 7.12085275
_cell_length_c 7.52813500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.43536885
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NpTl2F6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.07394200
_cell_length_b 12.36064400
_cell_length_c 7.52813500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.53697100026675,
0.6753485062878555,
5.646101250000001
],
[
-1.2034511455828044e-15,
5.504973494259898,
1.8820337500000022
],
[
-5.0106793775394e-16,
1.9170864419939087,
0.015989758740001393
],
[
3.536971000266749,
4.263235558553844,
7.512145241260002
... | [
[
7.0739420005335,
0,
2.0038846781864156e-15
],
[
-3.536971000266752,
6.180322000547752,
4.360264763743564e-16
],
[
0,
0,
7.528135
]
] | [
93,
93,
81,
81,
81,
81,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.059446 | 0 | 0 | 63 | 63 | [
"F",
"Np",
"Tl"
] |
mp-571133 | mp-571133 | NbSe2 | # generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49317363
_cell_length_b 3.49317363
_cell_length_c 28.21533400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999305
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49317363
_cell_length_b 3.49317363
_cell_length_c 28.21533400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
0,
0,
21.153289837805996
],
[
1.7465869984775675,
1.0083923324930242,
14.107667
],
[
0,
0,
7.062044162194001
],
[
1.7465869984775675,
1.0083923324930242,
1.684314363129999
],
[
3.888306714770239e-16,
2.01678466498... | [
[
3.4931739969551336,
0,
9.895356578000887e-16
],
[
-1.7465869984775664,
3.025176997479073,
2.13895195242272e-16
],
[
0,
0,
28.215334
]
] | [
41,
41,
41,
41,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.156004 | 0 | 0 | 187 | 187 | [
"Nb",
"Se"
] |
mp-977538 | mp-977538 | ErZnRh2 | # generated using pymatgen
data_ErZnRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55470247
_cell_length_b 4.55470247
_cell_length_c 4.55470247
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ErZnRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44132201
_cell_length_b 6.44132201
_cell_length_c 6.44132201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.6296586971331535,
1.8594494969490332,
4.554702469999999
],
[
0,
0,
0
],
[
3.9444880456997296,
2.789174245423551,
6.832053704999998
],
[
1.314829348566576,
0.9297247484745165,
2.2773512349999994
]
] | [
[
3.94448804569973,
0,
2.2773512349999994
],
[
1.3148293485665759,
3.718898993898069,
2.2773512349999994
],
[
0,
0,
4.55470247
]
] | [
68,
30,
45,
45
] | [
1,
1,
1
] | -0.6964 | 0 | 0 | 225 | 225 | [
"Er",
"Rh",
"Zn"
] |
mp-1070356 | mp-1070356 | Rb2Te2Pd | # generated using pymatgen
data_Rb2Te2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.09971642
_cell_length_b 7.09971642
_cell_length_c 7.09971642
_cell_angle_alpha 146.21329471
_cell_angle_beta 109.66100231
_cell_angle_gamma 80.35355795
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Rb2Te2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12623000
_cell_length_b 8.17883400
_cell_length_c 10.84918400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.2113025497468384,
1.9788513029448516,
3.1111866778200135
],
[
4.167579413345256,
4.552075745655801,
7.57630648503416
],
[
2.276795628837814,
1.381813544942926,
6.70248908737179
],
[
3.1020863342542793,
5.149113503657727,
3.985004075482382
],
[
... | [
[
3.948172051476282,
0,
1.1990460596384034
],
[
1.4307099116158115,
6.530927048600653,
2.3887306836640807
],
[
0,
0,
7.099716419551688
]
] | [
37,
37,
52,
52,
46
] | [
1,
1,
1
] | -0.967251 | 0.7245 | 0 | 71 | 71 | [
"Pd",
"Rb",
"Te"
] |
mp-28505 | mp-28505 | Ba(AlTe2)2 | # generated using pymatgen
data_Ba(AlTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.69907400
_cell_length_b 8.69907400
_cell_length_c 6.75536500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ba(AlTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.69907400
_cell_length_b 8.69907400
_cell_length_c 6.75536500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-2.6633232824114903e-16,
4.349537,
4.349537
],
[
0,
0,
0
],
[
3.3776824999999997,
4.349537,
4.731557313492005e-16
],
[
3.3776825,
2.854166874248411e-32,
4.349537
],
[
8.556274387676581e-35,
2.854166874248411e-32,
4.349537
],
[
-2.... | [
[
6.755365,
0,
4.13646806216103e-16
],
[
-5.326646564822981e-16,
8.699074,
5.326646564822981e-16
],
[
0,
0,
8.699074
]
] | [
56,
56,
13,
13,
13,
13,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.140494 | 1.5444 | 0 | 125 | 125 | [
"Al",
"Ba",
"Te"
] |
mp-1039086 | mp-1039086 | Ca5Mg | # generated using pymatgen
data_Ca5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43654687
_cell_length_b 7.43654687
_cell_length_c 8.83748004
_cell_angle_alpha 74.81988683
_cell_angle_beta 74.81988683
_cell_angle_gamma 29.75430184
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_Ca5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.37452600
_cell_length_b 3.81862800
_cell_length_c 8.83748004
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.71999551
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.909313999344212,
6.845809829498338,
-1.8012502115667908
],
[
1.909313999344211,
2.4214815367363958,
2.2373008943066215
],
[
5.83548023459625e-16,
0.6739805497816772,
5.05702231664322
],
[
1.2851012108256393e-15,
4.612293072338975,
4.565049713974085
]... | [
[
3.81862799868842,
0,
2.3382352778641185e-16
],
[
-1.9093139993442083,
6.91843960850846,
-1.9472911402859934
],
[
0,
0,
8.83748004
]
] | [
20,
20,
20,
20,
20,
12
] | [
1,
1,
1
] | 0.016088 | 0 | 0.042609 | 8 | 8 | [
"Ca",
"Mg"
] |
mp-1224006 | mp-1224006 | HoCuPbS3 | # generated using pymatgen
data_HoCuPbS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85098304
_cell_length_b 6.85098304
_cell_length_c 10.22844800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.49012632
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_HoCuPbS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94998600
_cell_length_b 13.12027001
_cell_length_c 10.22844800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.2634067983467085e-16,
0.03748461140883479,
5.128093775487999
],
[
1.9749930007200496,
6.52265039188755,
0.013869775488001777
],
[
1.9749930007200496,
0.44398993702309886,
7.67558080592
],
[
1.548679670024391e-15,
6.116145066273286,
2.5613568059200014
... | [
[
3.9499860014400987,
0,
1.1189399668161945e-15
],
[
-1.9749930007200482,
6.560135003296385,
4.1950172254744017e-16
],
[
0,
0,
10.228448
]
] | [
67,
67,
29,
29,
82,
82,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.352003 | 1.6288 | 0 | 36 | 36 | [
"Cu",
"Ho",
"Pb",
"S"
] |
mp-1078638 | mp-1078638 | Ca | # generated using pymatgen
data_Ca
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56137800
_cell_length_b 4.56137800
_cell_length_c 16.03135200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca
... | # generated using pymatgen
data_Ca
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56137800
_cell_length_b 4.56137800
_cell_length_c 16.03135200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca
... | [
[
0.03252262513999987,
2.2049381955540004,
11.022949227623998
],
[
4.528855374860001,
2.3564398044460004,
3.007273227624
],
[
4.485627195554001,
2.2481663748600003,
7.015111227624
],
[
0.07575080444599987,
2.31321162514,
15.030787227623998
],
[
2.3... | [
[
4.561378,
0,
2.793038483700578e-16
],
[
-2.793038483700578e-16,
4.561378,
2.793038483700578e-16
],
[
0,
0,
16.031352
]
] | [
20,
20,
20,
20,
20,
20,
20,
20
] | [
1,
1,
1
] | 0.019152 | 0 | 0.019152 | 92 | 92 | [
"Ca"
] |
mp-999454 | mp-999454 | NaVS2 | # generated using pymatgen
data_NaVS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54919386
_cell_length_b 3.54919386
_cell_length_c 6.68804700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999730
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaVS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54919386
_cell_length_b 3.54919386
_cell_length_c 6.68804700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
3.3440235
],
[
0,
0,
0
],
[
2.3872777810706095e-16,
2.0491280026018632,
1.3512663919740002
],
[
1.7745970024221622,
1.0245640013009316,
5.336780608026
]
] | [
[
3.549194004844324,
0,
1.0054048344872265e-15
],
[
-1.7745970024221616,
3.0736920039027944,
2.1732544501012193e-16
],
[
0,
0,
6.688047
]
] | [
11,
23,
16,
16
] | [
1,
1,
1
] | -1.259825 | 0 | 0.023968 | 164 | 164 | [
"Na",
"S",
"V"
] |
mp-1217970 | mp-1217970 | SrSiNi | # generated using pymatgen
data_SrSiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98501506
_cell_length_b 3.98501506
_cell_length_c 4.75598300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998432
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_SrSiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98501506
_cell_length_b 3.98501506
_cell_length_c 4.75598300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9925080022304775,
1.1503746679270441,
4.7559830000000005
],
[
7.398714234692988e-16,
2.3007493358540887,
2.3779915000000003
],
[
0,
0,
2.3779915
]
] | [
[
3.9850160044609533,
0,
1.1288631590511632e-15
],
[
-1.992508002230476,
3.4511240037811333,
2.4401179688914986e-16
],
[
0,
0,
4.755983
]
] | [
38,
14,
28
] | [
1,
1,
1
] | -0.395623 | 0 | 0.037166 | 187 | 187 | [
"Ni",
"Si",
"Sr"
] |
mp-1224739 | mp-1224739 | GdDy3Ni4 | # generated using pymatgen
data_GdDy3Ni4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19259600
_cell_length_b 5.46988300
_cell_length_c 7.13140419
_cell_angle_alpha 89.98691214
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_GdDy3Ni4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46988300
_cell_length_b 4.19259600
_cell_length_c 7.13140419
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.01308786
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-2.124029118240031e-16,
3.4688027923134457,
2.2877267182944383
],
[
-2.901169145499538e-16,
4.737968771925824,
5.849282990717432
],
[
2.096298,
1.998438111561196,
4.856593310314391
],
[
2.096298,
0.7339105926118038,
1.277594682788847
],
[
-4.2157... | [
[
4.192596,
0,
2.5672246357589984e-16
],
[
-3.349337266448476e-16,
5.469882857294715,
0.0012494648455106815
],
[
0,
0,
7.13140419
]
] | [
64,
66,
66,
66,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.442364 | 0 | 0.000858 | 6 | 6 | [
"Dy",
"Gd",
"Ni"
] |
mp-1080405 | mp-1080405 | DySnGe | # generated using pymatgen
data_DySnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.44012983
_cell_length_b 8.44012983
_cell_length_c 4.11724100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.80797054
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DySnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25386000
_cell_length_b 16.33547799
_cell_length_c 4.11724100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.02931025,
0.38950610609971736,
1.4957634778856552
],
[
3.0879307500000004,
3.7270677966018217,
5.872384922550677
],
[
1.0293102500000004,
3.085281575448943,
3.4078269215909605
],
[
3.08793075,
1.031292327252595,
3.9603214788453713
],
[
1.029310... | [
[
4.117241,
0,
2.5210830059841236e-16
],
[
6.619955732002089e-16,
4.116573902701538,
-1.0719814295636687
],
[
0,
0,
8.44012983
]
] | [
66,
66,
50,
50,
32,
32
] | [
1,
1,
1
] | -0.626915 | 0 | 0 | 63 | 63 | [
"Dy",
"Ge",
"Sn"
] |
mp-1206033 | mp-1206033 | VNiO3 | # generated using pymatgen
data_VNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97597500
_cell_length_b 5.10328914
_cell_length_c 5.43285379
_cell_angle_alpha 62.24145115
_cell_angle_beta 63.85920922
_cell_angle_gamma 60.87878473
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | # generated using pymatgen
data_VNiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97597500
_cell_length_b 5.10328914
_cell_length_c 5.43285379
_cell_angle_alpha 62.24145115
_cell_angle_beta 63.85920922
_cell_angle_gamma 60.87878473
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | [
[
3.9503644433952894,
2.786117290510782,
3.249227086459886
],
[
2.1166768908807665,
1.4369233685813814,
6.7527731412104055
],
[
5.167193774330837,
3.5996100587530235,
6.303799382666262
],
[
0.8998475599452186,
0.6234306003391397,
3.698200845004029
],
[... | [
[
4.4670031218121675,
0,
2.192307074829014
],
[
1.6000382124638879,
4.223040659092163,
2.376839362841277
],
[
0,
0,
5.43285379
]
] | [
23,
23,
28,
28,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.970647 | 0 | 0.004752 | 2 | 2 | [
"Ni",
"O",
"V"
] |
mp-1105834 | mp-1105834 | Dy(Ni2B)6 | # generated using pymatgen
data_Dy(Ni2B)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00350851
_cell_length_b 6.00350851
_cell_length_c 6.00350830
_cell_angle_alpha 104.32091900
_cell_angle_beta 104.32091900
_cell_angle_gamma 104.32092270
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Dy(Ni2B)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.48232380
_cell_length_b 9.48232380
_cell_length_c 7.39159200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
4.808432124151729,
0.7168971503308686,
1.5167695753429928
],
[
1.2462312016400474,
4.776946488930602,
-1.2502959382786425
],
[
-0.196792734557534,
2.7469218196307352,
4.283835088964629
],
[
2.6590158591827806,
0.7168971503308686,... | [
[
5.816952401616602,
0,
-1.4849845746570072
],
[
-1.9117053407937736,
5.4938436392614705,
-1.4849845746570074
],
[
0,
0,
6.0035083
]
] | [
66,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
28,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.389573 | 0 | 0.003204 | 166 | 166 | [
"B",
"Dy",
"Ni"
] |
mp-1186140 | mp-1186140 | NaInPd2 | # generated using pymatgen
data_NaInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65173449
_cell_length_b 4.65173449
_cell_length_c 4.65173449
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57854600
_cell_length_b 6.57854600
_cell_length_c 6.57854600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3428508227207223,
0.9495275284918376,
2.3258672449999986
],
[
4.028520240000248,
2.848593979851434,
6.977601734999999
],
[
0,
0,
0
],
[
2.685680160000166,
1.899062653234289,
4.651734489999998
]
] | [
[
4.028520240000248,
0,
2.325867245
],
[
1.3428400800000821,
3.7981253064685787,
2.325867245
],
[
0,
0,
4.651734489999999
]
] | [
11,
49,
46,
46
] | [
1,
1,
1
] | -0.357794 | 0 | 0.029241 | 225 | 225 | [
"In",
"Na",
"Pd"
] |
mp-1217258 | mp-1217258 | ThSc | # generated using pymatgen
data_ThSc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82755412
_cell_length_b 5.82755412
_cell_length_c 5.82755438
_cell_angle_alpha 34.54912503
_cell_angle_beta 34.54912503
_cell_angle_gamma 34.54912916
_symmetry_Int_Tables_number 1
_chemical_formula_structural Th... | # generated using pymatgen
data_ThSc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.46099584
_cell_length_b 3.46099584
_cell_length_c 16.42278956
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.398757758086722,
1.4743020890843963,
3.941523421818542
],
[
0,
0,
0
]
] | [
[
3.304879538225238,
0,
1.027746231818542
],
[
1.4926359779482066,
2.948604178168793,
1.027746231818542
],
[
0,
0,
5.82755438
]
] | [
90,
21
] | [
1,
1,
1
] | 0.041175 | 0 | 0.041175 | 166 | 166 | [
"Sc",
"Th"
] |
mp-754434 | mp-754434 | Hf3N4 | # generated using pymatgen
data_Hf3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.63881242
_cell_length_b 8.63881242
_cell_length_c 8.63881224
_cell_angle_alpha 22.76035456
_cell_angle_beta 22.76035456
_cell_angle_gamma 22.76035774
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | # generated using pymatgen
data_Hf3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40918975
_cell_length_b 3.40918975
_cell_length_c 25.23477736
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0978666549486191,
0.6509758320709526,
3.1842609639481667
],
[
3.8476791327122277,
2.2814666186182766,
6.799941079501912
],
[
0,
0,
0
],
[
3.0755607421594657,
1.823641973446871,
1.9972589683013506
],
[
4.291433065147461,
2.5445888148337197,
... | [
[
3.3421631589109055,
0,
0.672694901725039
],
[
1.6033826287499415,
2.932442450689229,
0.6726949017250383
],
[
0,
0,
8.63881224
]
] | [
72,
72,
72,
7,
7,
7,
7
] | [
1,
1,
1
] | -1.796745 | 1.1618 | 0.073505 | 166 | 166 | [
"Hf",
"N"
] |
mp-979263 | mp-979263 | ThMg3 | # generated using pymatgen
data_ThMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78487242
_cell_length_b 6.78487242
_cell_length_c 5.22153000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000411
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ThMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78487242
_cell_length_b 6.78487242
_cell_length_c 5.22153000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.9161475000000006,
1.9586238779355507,
3.3924363504980333
],
[
1.3053825000000014,
3.9172477558711014,
2.8099606510540124e-7
],
[
3.9161475000000014,
4.931154868394852,
-1.7561383520505316
],
[
3.9161475000000014,
4.931154868394852,
1.7561390595039286
... | [
[
5.22153,
0,
3.1972650005759396e-16
],
[
2.24961782161049e-15,
5.875871633806652,
-3.392435788505902
],
[
0,
0,
6.78487242
]
] | [
90,
90,
12,
12,
12,
12,
12,
12
] | [
1,
1,
1
] | 0.048612 | 0 | 0.061657 | 194 | 194 | [
"Th",
"Mg"
] |
mp-1216196 | mp-1216196 | Y3Ga8Ni3 | # generated using pymatgen
data_Y3Ga8Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.03427716
_cell_length_b 8.03427716
_cell_length_c 9.55966508
_cell_angle_alpha 54.30439227
_cell_angle_beta 54.30439227
_cell_angle_gamma 30.01376296
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Y3Ga8Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.52053200
_cell_length_b 4.16071200
_cell_length_c 9.55966508
_cell_angle_alpha 90.00000000
_cell_angle_beta 127.16276254
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.259271095047127,
2.345616496326617,
3.9518145793801187
],
[
2.3060230221018987,
5.179488825659996,
7.559233660202371
],
[
3.995968535554892,
0.04223305195143062,
1.1638976885863361
],
[
2.4368334155605895,
2.1777956846248814,
7.064202070078338
],
[... | [
[
4.0226387422859915,
0,
1.0629684390217595
],
[
1.51133068860369,
7.509433135033796,
2.4236136292401986
],
[
0,
0,
8.14300957478485
]
] | [
39,
39,
39,
31,
31,
31,
31,
31,
31,
31,
31,
28,
28,
28
] | [
1,
1,
1
] | -0.563848 | 0 | 0.043375 | 8 | 8 | [
"Ga",
"Ni",
"Y"
] |
mp-7885 | mp-7885 | AlAgS2 | # generated using pymatgen
data_AlAgS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54026351
_cell_length_b 3.54026351
_cell_length_c 6.89818300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999094
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AlAgS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54026351
_cell_length_b 3.54026351
_cell_length_c 6.89818300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
6.841017757479
],
[
1.7701319974051155,
1.0219859985994644,
3.1509796234720007
],
[
1.7701319974051155,
1.0219859985994644,
5.596502766083002
],
[
6.091325964071127e-16,
2.043971997198929,
1.3465322197830003
]
] | [
[
3.5402639948102297,
0,
1.002875168526999e-15
],
[
-1.770131997405114,
3.0659579957983936,
2.1677861878298368e-16
],
[
0,
0,
6.898183
]
] | [
13,
47,
16,
16
] | [
1,
1,
1
] | -0.938484 | 1.7128 | 0.070424 | 156 | 156 | [
"Al",
"Ag",
"S"
] |
mp-1019276 | mp-1019276 | TaSe2 | # generated using pymatgen
data_TaSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47570180
_cell_length_b 3.47570180
_cell_length_c 14.11564200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999624
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TaSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47570180
_cell_length_b 3.47570180
_cell_length_c 14.11564200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.7378509987662025,
1.0033486659188682,
10.5867315
],
[
5.824174845650085e-16,
2.006697331837737,
3.528910500000002
],
[
1.7378509987662025,
1.0033486659188682,
1.8528332845620017
],
[
5.824174845650085e-16,
2.006697331837737,
12.262808715438
],
[
... | [
[
3.4757019975324037,
0,
9.845862431826307e-16
],
[
-1.7378509987662014,
3.010045997756605,
2.128253542080347e-16
],
[
0,
0,
14.115642
]
] | [
73,
73,
34,
34,
34,
34
] | [
1,
1,
1
] | -1.126317 | 0 | 0.00682 | 194 | 194 | [
"Se",
"Ta"
] |
mp-28395 | mp-28395 | B6P | # generated using pymatgen
data_B6P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25313530
_cell_length_b 5.25313530
_cell_length_c 5.25313502
_cell_angle_alpha 69.55993847
_cell_angle_beta 69.55993847
_cell_angle_gamma 69.55992904
_symmetry_Int_Tables_number 1
_chemical_formula_structural B6P... | # generated using pymatgen
data_B6P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99305428
_cell_length_b 5.99305428
_cell_length_c 11.85785661
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | [
[
4.3771579778561245,
1.342795908685992,
6.302604941646222
],
[
5.057160021556602,
3.8804280850917503,
4.478041774994647
],
[
2.4299980847573774,
3.8804280850917503,
6.302604941646221
],
[
3.7664767895668474,
0.8742118765466423,
2.619606749390172
],
[
... | [
[
4.922387588926761,
0,
1.8345383355181968
],
[
1.2740872853974645,
4.754639961638393,
1.8345383355181968
],
[
0,
0,
5.25313502
]
] | [
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
5,
15,
15
] | [
1,
1,
1
] | -0.290256 | 2.7253 | 0 | 166 | 166 | [
"B",
"P"
] |
mp-12929 | mp-12929 | SmAsO4 | # generated using pymatgen
data_SmAsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08529344
_cell_length_b 6.08529344
_cell_length_c 6.08529344
_cell_angle_alpha 106.35913062
_cell_angle_beta 106.35913062
_cell_angle_gamma 115.89261237
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_SmAsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29394400
_cell_length_b 7.29394400
_cell_length_c 6.45909800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.5610476127303023,
1.2089041254904662,
1.3286806081781493
],
[
-0.9947193677273762,
3.6267123764713984,
1.32868060847294
],
[
1.2831641225014625,
2.4178082509809324,
4.3713273283255445
],
[
1.1398549066834325,
4.1225323145000585... | [
[
5.838931102959141,
0,
-1.7139661119692462
],
[
-3.2726028579562163,
4.835616501961865,
-1.7139661113796647
],
[
0,
0,
6.08529344
]
] | [
62,
62,
33,
33,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.820642 | 3.7085 | 0 | 141 | 141 | [
"As",
"O",
"Sm"
] |
mp-1114701 | mp-1114701 | Rb2LiRuF6 | # generated using pymatgen
data_Rb2LiRuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94502289
_cell_length_b 5.94502289
_cell_length_c 5.94502289
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Rb2LiRuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.40753200
_cell_length_b 8.40753200
_cell_length_c 8.40753200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.7161802829399928,
1.2135227158055153,
2.9725114449999985
],
[
5.14854084881998,
3.64056814741655,
8.917534335
],
[
3.4323605658799865,
2.427045431611033,
5.945022889999999
],
[
0,
0,
0
],
[
2.5495299694511275,
3.675556434358655,
4.41591... | [
[
5.14854084881998,
0,
2.9725114450000003
],
[
1.7161802829399933,
4.854090863222067,
2.972511445
],
[
0,
0,
5.945022889999999
]
] | [
37,
37,
3,
44,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.637835 | 0 | 0 | 225 | 225 | [
"F",
"Li",
"Rb",
"Ru"
] |
mp-1114409 | mp-1114409 | KRb2ScBr6 | # generated using pymatgen
data_KRb2ScBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.19988318
_cell_length_b 8.19988318
_cell_length_c 8.19988318
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_KRb2ScBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.59638600
_cell_length_b 11.59638600
_cell_length_c 11.59638600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
4.734204761296483,
3.3475882902383858,
8.19988318
],
[
2.3671023806482423,
1.6737941451191929,
4.099941590000001
],
[
7.101307141944726,
5.021382435357578,
12.299824769999999
],
[
0,
0,
0
],
[
3.4529395846992013,
5.1595708799786175,
5.980... | [
[
7.101307141944727,
0,
4.099941589999999
],
[
2.3671023806482405,
6.695176580476769,
4.09994159
],
[
0,
0,
8.199883179999999
]
] | [
19,
37,
37,
21,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -2.070876 | 3.2273 | 0.028263 | 225 | 225 | [
"Br",
"K",
"Rb",
"Sc"
] |
mp-1079260 | mp-1079260 | InSe | # generated using pymatgen
data_InSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09647352
_cell_length_b 4.09647352
_cell_length_c 18.34344800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999231
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_InSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09647352
_cell_length_b 4.09647352
_cell_length_c 18.34344800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.048236998075381,
1.182549998932455,
7.754692641999999
],
[
2.048236998075381,
1.182549998932455,
10.588755358
],
[
8.899635472301947e-16,
2.36509999786491,
1.4148484876879994
],
[
8.899635472301947e-16,
2.36509999786491,
16.928599512311997
],
[
... | [
[
4.096473996150761,
0,
1.1604366384197797e-15
],
[
-2.0482369980753794,
3.5476499967973654,
2.5083665920299456e-16
],
[
0,
0,
18.343448
]
] | [
49,
49,
49,
49,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.745936 | 0.6561 | 0 | 187 | 187 | [
"In",
"Se"
] |
mp-1039409 | mp-1039409 | CaMg3 | # generated using pymatgen
data_CaMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21353885
_cell_length_b 5.21353885
_cell_length_c 5.21353885
_cell_angle_alpha 116.64990058
_cell_angle_beta 116.64990058
_cell_angle_gamma 95.90761125
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47527000
_cell_length_b 5.47527000
_cell_length_c 6.98332200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
0,
0,
0
],
[
-1.4428612261757714,
2.154393870301696,
2.338468532866073
],
[
1.6084058761578977,
1.077196935150848,
2.6067694248383555
],
[
0.16554464998212615,
3.2315908054525435,
-0.2683008922955718
]
] | [
[
4.6596729784915665,
0,
-2.338468533189363
],
[
-2.885722452351543,
4.308787740603392,
-0.5366017842678533
],
[
0,
0,
5.21353885
]
] | [
20,
12,
12,
12
] | [
1,
1,
1
] | -0.038736 | 0 | 0.046987 | 139 | 139 | [
"Ca",
"Mg"
] |
mp-1206933 | mp-1206933 | Dy2GaNi2 | # generated using pymatgen
data_Dy2GaNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21390000
_cell_length_b 5.36571500
_cell_length_c 5.36957494
_cell_angle_alpha 119.97622951
_cell_angle_beta 113.10309101
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Dy2GaNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21390000
_cell_length_b 5.36571500
_cell_length_c 8.29346000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.02096326513996294,
3.1608355341977736,
-0.04914033605321768
],
[
2.7532257540500438,
1.344217819751335,
1.0843074765991736
],
[
0,
0,
0
],
[
1.6325810374734029,
1.2029618718382606,
-1.5426142936827538
],
[
1.0996814514366775,
3.30209148211... | [
[
3.875946545218108,
0,
-1.653478632644466
],
[
-1.1436840563080275,
4.5050533539491076,
-2.6809286672053974
],
[
0,
0,
5.369574440395819
]
] | [
66,
66,
31,
28,
28
] | [
1,
1,
1
] | -0.575045 | 0 | 0 | 71 | 71 | [
"Dy",
"Ga",
"Ni"
] |
mp-976138 | mp-976138 | PrDy3 | # generated using pymatgen
data_PrDy3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07163900
_cell_length_b 5.07163900
_cell_length_c 5.07163900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | # generated using pymatgen
data_PrDy3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07163900
_cell_length_b 5.07163900
_cell_length_c 5.07163900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | [
[
0,
0,
0
],
[
-1.5527416169452208e-16,
2.5358195,
2.5358195
],
[
2.5358195,
0,
2.5358195
],
[
2.5358195,
2.5358195,
3.1054832338904416e-16
]
] | [
[
5.071639,
0,
3.1054832338904416e-16
],
[
-3.1054832338904416e-16,
5.071639,
3.1054832338904416e-16
],
[
0,
0,
5.071639
]
] | [
59,
66,
66,
66
] | [
1,
1,
1
] | 0.019895 | 0 | 0.019895 | 221 | 221 | [
"Pr",
"Dy"
] |
mp-1105845 | mp-1105845 | LuCuS2 | # generated using pymatgen
data_LuCuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93200300
_cell_length_b 6.19622600
_cell_length_c 13.18208000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuCuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93200300
_cell_length_b 6.19622600
_cell_length_c 13.18208000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.1090764941919997,
4.670752336156,
8.36019377472
],
[
3.0750779941919992,
4.623586663844001,
4.82188622528
],
[
2.822926505808,
1.5726393361559998,
11.41292622528
],
[
0.8569250058079998,
1.525473663844,
1.76915377472
],
[
2.777940459485,
2.... | [
[
3.932003,
0,
2.407657444093895e-16
],
[
-3.794094168846804e-16,
6.196226,
3.794094168846804e-16
],
[
0,
0,
13.18208
]
] | [
71,
71,
71,
71,
29,
29,
29,
29,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.608095 | 1.7647 | 0.011935 | 19 | 19 | [
"Cu",
"Lu",
"S"
] |
mp-755720 | mp-755720 | Li4Fe(TeO4)3 | # generated using pymatgen
data_Li4Fe(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.63835300
_cell_length_b 5.04844700
_cell_length_c 5.22772534
_cell_angle_alpha 88.96474042
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Li4Fe(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04844700
_cell_length_b 8.63835300
_cell_length_c 5.22772534
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.03525958
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
-0.0944529999429338,
5.2268719958766825,
6.154653745440001
],
[
2.4297705000570664,
5.2268719958766825,
7.328856430377001
],
[
-0.0472264999714669,
2.6134359979383412,
2.5857009267840008
],
[
2.476997000028533,
2.6134359979383412,
1.537929176355001
],
... | [
[
5.048447,
0,
3.0912822296075293e-16
],
[
-0.0944529999429338,
5.2268719958766825,
3.2010585522262547e-16
],
[
0,
0,
8.638353
]
] | [
3,
3,
3,
3,
26,
52,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.804136 | 0 | 0.041621 | 3 | 3 | [
"Fe",
"Li",
"O",
"Te"
] |
mp-2338 | mp-2338 | TbZn2 | # generated using pymatgen
data_TbZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68209809
_cell_length_b 5.68209809
_cell_length_c 5.68209809
_cell_angle_alpha 133.43024184
_cell_angle_beta 101.70170372
_cell_angle_gamma 96.29875261
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TbZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49230200
_cell_length_b 7.17468600
_cell_length_c 7.58208800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
2.4854852325048418,
1.458577367634409,
5.588768960621928
],
[
3.5902914935638677,
3.752767890719588,
3.0215727972082633
],
[
2.3957560568917233,
4.575003522892166,
5.797269223025233
],
[
3.680020669176986,
0.6363417354618315,
2.8130725348049586
],
[
... | [
[
4.126407314982393,
0,
1.775820914424813
],
[
1.9493694110863151,
5.211345258353997,
1.1524227530441933
],
[
0,
0,
5.682098090361185
]
] | [
65,
65,
30,
30,
30,
30
] | [
1,
1,
1
] | -0.389907 | 0 | 0 | 74 | 74 | [
"Tb",
"Zn"
] |
mp-11706 | mp-11706 | Ho2HgO4 | # generated using pymatgen
data_Ho2HgO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06349109
_cell_length_b 7.06349109
_cell_length_c 10.11815154
_cell_angle_alpha 58.57180707
_cell_angle_beta 58.57180707
_cell_angle_gamma 29.66910737
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Ho2HgO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.65611799
_cell_length_b 3.61691400
_cell_length_c 10.11815154
_cell_angle_alpha 90.00000000
_cell_angle_beta 122.64338231
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
4.318393581091913,
5.224345383310274,
5.8445500736713045
],
[
0.7692390490560349,
1.5170846800223,
5.146298202454373
],
[
3.0788941493617754,
3.2516613767478337,
2.9421932910287243
],
[
2.0087384807861723,
3.4897686865847404,
8.048654985096956
],
[
... | [
[
3.540012159473717,
0,
0.741876529434853
],
[
1.5476204706742307,
6.741430063332574,
1.432095652690566
],
[
0,
0,
8.81687609400026
]
] | [
67,
67,
67,
67,
80,
80,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.060457 | 2.1233 | 0.003035 | 12 | 12 | [
"Hg",
"Ho",
"O"
] |
mp-1225677 | mp-1225677 | CuAu | # generated using pymatgen
data_CuAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57072643
_cell_length_b 4.57072643
_cell_length_c 4.57072655
_cell_angle_alpha 36.80822861
_cell_angle_beta 36.80822861
_cell_angle_gamma 36.80823313
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu... | # generated using pymatgen
data_CuAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88611385
_cell_length_b 2.88611385
_cell_length_c 12.76851227
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9780769824208382,
1.2264470963022829,
3.1965590398704844
],
[
0,
0,
0
]
] | [
[
2.7384985905765755,
0,
0.9111957648704844
],
[
1.217655374265101,
2.452894192604566,
0.9111957648704844
],
[
0,
0,
4.57072655
]
] | [
29,
79
] | [
1,
1,
1
] | 0.024035 | 0 | 0.072172 | 166 | 166 | [
"Au",
"Cu"
] |
mp-1223532 | mp-1223532 | KLaCO4 | # generated using pymatgen
data_KLaCO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68609700
_cell_length_b 4.76061900
_cell_length_c 12.19638400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KLaCO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68609700
_cell_length_b 4.76061900
_cell_length_c 12.19638400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
7.388484052512
],
[
1.8430484999999999,
2.3803095,
4.807899947488
],
[
0,
0,
11.003114182208
],
[
1.8430484999999999,
2.3803095,
1.1932698177920003
],
[
0,
0,
3.4756889231679997
],
[
1.8430484999999999,
2.3803095,
8.... | [
[
3.686097,
0,
2.2570834461983307e-16
],
[
-2.915038410155037e-16,
4.760619,
2.915038410155037e-16
],
[
0,
0,
12.196384
]
] | [
19,
19,
57,
57,
6,
6,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.714179 | 3.7366 | 0.066484 | 59 | 59 | [
"C",
"K",
"La",
"O"
] |
mp-20155 | mp-20155 | CoSn2 | # generated using pymatgen
data_CoSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27576034
_cell_length_b 5.27576034
_cell_length_c 5.27576034
_cell_angle_alpha 105.59487423
_cell_angle_beta 105.59487423
_cell_angle_gamma 117.53773466
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CoSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37981600
_cell_length_b 6.37981600
_cell_length_c 5.47087600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
0.5383248767726111,
1.038251656438333,
-0.7091509634418852
],
[
1.614974630317834,
3.1147549693150003,
-2.1274528903256575
],
[
1.2099452686319765,
0.690022050868916,
1.9287292066191115
],
[
0.9433542384584686,
3.4629845748844175,
0.5104272796133441
],... | [
[
5.081541774173522,
0,
-1.4183019265200387
],
[
-2.9282422670830766,
4.153006625753334,
-1.4183019272475048
],
[
0,
0,
5.275760339999999
]
] | [
27,
27,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.060167 | 0 | 0.012928 | 140 | 140 | [
"Co",
"Sn"
] |
mp-1079988 | mp-1079988 | La2Al2Ge | # generated using pymatgen
data_La2Al2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.73876166
_cell_length_b 13.73876166
_cell_length_c 4.59587500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 162.69416336
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_La2Al2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13395200
_cell_length_b 27.16476999
_cell_length_c 4.59587500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.8319168450264203,
3.4469062500000005,
5.466640579126566
],
[
3.2549818861713224,
1.14896875,
7.650174229020273
],
[
2.351985698411914,
3.4469062500000005,
1.7164614639596971
],
[
1.7349130327858289,
1.14896875,
11.400353344187144
],
[
3.6022661... | [
[
4.08689873119774,
0,
-0.62194685185316
],
[
1.7595623169180896e-15,
4.595875,
2.814161804015671e-16
],
[
0,
0,
13.73876166
]
] | [
57,
57,
57,
57,
13,
13,
13,
13,
32,
32
] | [
1,
1,
1
] | -0.638466 | 0 | 0.002869 | 63 | 63 | [
"Al",
"Ge",
"La"
] |
mp-867138 | mp-867138 | EuSnAu2 | # generated using pymatgen
data_EuSnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09799806
_cell_length_b 5.09799806
_cell_length_c 5.09799806
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_EuSnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20965800
_cell_length_b 7.20965800
_cell_length_c 7.20965800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.943330552269189,
2.0812489927830917,
5.097998060000001
],
[
0,
0,
0
],
[
1.4716652761345952,
1.0406244963915463,
2.548999030000002
],
[
4.414995828403784,
3.121873489174636,
7.64699709
]
] | [
[
4.414995828403784,
0,
2.54899903
],
[
1.4716652761345947,
4.16249798556618,
2.54899903
],
[
0,
0,
5.097998059999999
]
] | [
63,
50,
79,
79
] | [
1,
1,
1
] | -0.606362 | 0 | 0 | 225 | 225 | [
"Au",
"Eu",
"Sn"
] |
mp-4964 | mp-4964 | YSbPt | # generated using pymatgen
data_YSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68520468
_cell_length_b 4.68520468
_cell_length_c 4.68520468
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | # generated using pymatgen
data_YSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62588000
_cell_length_b 6.62588000
_cell_length_c 6.62588000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | [
[
2.705004183206494,
1.9127268010832907,
4.685204679999999
],
[
0,
0,
0
],
[
4.057506274809741,
2.869090201624936,
7.027807019999999
]
] | [
[
4.057506274809742,
0,
2.3426023399999996
],
[
1.3525020916032466,
3.8254536021665815,
2.3426023399999996
],
[
0,
0,
4.685204679999999
]
] | [
39,
51,
78
] | [
1,
1,
1
] | -1.277637 | 0.1098 | 0 | 216 | 216 | [
"Y",
"Sb",
"Pt"
] |
mp-1221643 | mp-1221643 | MnCdS2 | # generated using pymatgen
data_MnCdS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09952629
_cell_length_b 4.09952629
_cell_length_c 6.64416400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000476
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MnCdS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09952629
_cell_length_b 4.09952629
_cell_length_c 6.64416400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
6.634390434756
],
[
3.6639113983328333e-16,
2.3668626638446297,
3.3340348510360003
],
[
3.6639113983328333e-16,
2.3668626638446297,
5.9013663972920005
],
[
0,
0,
2.4016526727520002
]
] | [
[
4.099525995049843,
0,
1.1613011993436963e-15
],
[
-2.0497629975249216,
3.550293995766944,
2.510235874534462e-16
],
[
0,
0,
6.644164
]
] | [
25,
48,
16,
16
] | [
1,
1,
1
] | -0.822196 | 0.5464 | 0 | 156 | 156 | [
"Cd",
"Mn",
"S"
] |
mp-2459 | mp-2459 | YbIn | # generated using pymatgen
data_YbIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83062100
_cell_length_b 3.83062100
_cell_length_c 3.83062100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb... | # generated using pymatgen
data_YbIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83062100
_cell_length_b 3.83062100
_cell_length_c 3.83062100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb... | [
[
1.9153104999999997,
1.9153105,
1.9153105000000001
],
[
0,
0,
0
]
] | [
[
3.830621,
0,
2.3455788731983166e-16
],
[
-2.3455788731983166e-16,
3.830621,
2.3455788731983166e-16
],
[
0,
0,
3.830621
]
] | [
70,
49
] | [
1,
1,
1
] | -0.498422 | 0 | 0 | 221 | 221 | [
"Yb",
"In"
] |
mp-4908 | mp-4908 | Y(CoGe)2 | # generated using pymatgen
data_Y(CoGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79599069
_cell_length_b 5.79599069
_cell_length_c 5.79599069
_cell_angle_alpha 140.00331516
_cell_angle_beta 140.00331516
_cell_angle_gamma 57.84826504
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Y(CoGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96437600
_cell_length_b 3.96437600
_cell_length_c 10.14600799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
2.670644996159414,
0.9231281247507991,
1.542206672312337
],
[
0.5612667975580489,
2.7693843742523967,
1.5422066723776728
],
[
2.029750491455552,
2.3190233947989727,
-0.21879502247749424
],
[
1.20216130226191,
1.3734891042042228,
... | [
[
3.7253340954600964,
0,
-1.3557886727203305
],
[
-0.4934223017426337,
3.6925124990031954,
-1.3557886725896595
],
[
0,
0,
5.79599069
]
] | [
39,
27,
27,
32,
32
] | [
1,
1,
1
] | -0.61593 | 0 | 0 | 139 | 139 | [
"Y",
"Co",
"Ge"
] |
mp-17578 | mp-17578 | Yb4Ge6Ir7 | # generated using pymatgen
data_Yb4Ge6Ir7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22775622
_cell_length_b 7.22775622
_cell_length_c 7.22775622
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Yb4Ge6Ir7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34589400
_cell_length_b 8.34589400
_cell_length_c 8.34589400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.4071969579444055,
4.444258652117334e-17,
-1.2046260372007598
],
[
-1.703598478972203,
2.9507191206227863,
6.023130183600379
],
[
1.7035984789722025,
2.9507191206227863,
1.2046260363996204
],
[
3.638761076134322e-17,
6.302519059071479e-17,
3.61387811
... | [
[
6.814393915888811,
0,
-2.409252074401521
],
[
-3.407196957944406,
5.901438241245573,
-2.40925207279924
],
[
0,
0,
7.22775622
]
] | [
70,
70,
70,
70,
32,
32,
32,
32,
32,
32,
77,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.739832 | 0 | 0 | 229 | 229 | [
"Ge",
"Ir",
"Yb"
] |
mp-1216135 | mp-1216135 | Y4ZrSi3 | # generated using pymatgen
data_Y4ZrSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36904339
_cell_length_b 8.36904339
_cell_length_c 6.20049200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999514
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Y4ZrSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.36904339
_cell_length_b 8.36904339
_cell_length_c 6.20049200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
9.24957252756402e-16,
2.4159348453526346,
4.184521490073161
],
[
6.2004920000000014,
4.831869690705269,
-4.098536787061447e-7
],
[
4.606705135336,
3.9567663732775273e-16,
6.311480596394941
],
[
4.606705135336002,
5.465902799649924,
5.213302628168261
],... | [
[
6.200492,
0,
3.796706340469385e-16
],
[
2.774871758269205e-15,
7.247804536057903,
-4.184522309780518
],
[
0,
0,
8.36904339
]
] | [
39,
39,
39,
39,
39,
39,
39,
39,
40,
40,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.686656 | 0 | 0.031414 | 162 | 162 | [
"Si",
"Y",
"Zr"
] |
mp-557522 | mp-557522 | PCl2OF | # generated using pymatgen
data_PCl2OF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76086500
_cell_length_b 9.77851000
_cell_length_c 10.03144780
_cell_angle_alpha 63.94021369
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PCl2OF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.77851000
_cell_length_b 5.76086500
_cell_length_c 10.03144780
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.05978631
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.637646356464999,
4.826468250318012,
-0.09636619775838638
],
[
2.123218643535,
3.9579205882895305,
5.832028789877618
],
[
5.003651143535,
0.43427383101423966,
2.0515264061819996
],
[
0.7572138564649996,
8.350115007593303,
3.684136185937231
],
[
... | [
[
5.760865,
0,
3.527512441285008e-16
],
[
-5.378886836833231e-16,
8.784388838607542,
-4.295785207880771
],
[
0,
0,
10.0314478
]
] | [
15,
15,
15,
15,
17,
17,
17,
17,
17,
17,
17,
17,
8,
8,
8,
8,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.001798 | 5.0026 | 0.000023 | 14 | 14 | [
"Cl",
"F",
"O",
"P"
] |
mp-756967 | mp-756967 | Li2CrO4 | # generated using pymatgen
data_Li2CrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06825000
_cell_length_b 5.36152800
_cell_length_c 6.65923300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li2CrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06825000
_cell_length_b 5.36152800
_cell_length_c 6.65923300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.0303698995,
1.726631838648,
1.6408616481320006
],
[
2.4962448994999997,
3.6348961613519997,
1.6887548518680005
],
[
2.4962448994999997,
3.6348961613519997,
4.970478148132
],
[
5.0303698995,
1.726631838648,
5.018371351868001
],
[
0.0086464344999... | [
[
5.06825,
0,
3.1034080698892866e-16
],
[
-3.282989051869455e-16,
5.361528,
3.282989051869455e-16
],
[
0,
0,
6.659233
]
] | [
3,
3,
3,
3,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.067955 | 3.0674 | 0.020319 | 31 | 31 | [
"Cr",
"Li",
"O"
] |
mp-19820 | mp-19820 | TmPb3 | # generated using pymatgen
data_TmPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87909600
_cell_length_b 4.87909600
_cell_length_c 4.87909600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TmPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87909600
_cell_length_b 4.87909600
_cell_length_c 4.87909600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
0,
0,
0
],
[
2.439548,
2.439548,
2.987584649566327e-16
],
[
2.439548,
0,
2.439548
],
[
-1.4937923247831635e-16,
2.439548,
2.439548
]
] | [
[
4.879096,
0,
2.987584649566327e-16
],
[
-2.987584649566327e-16,
4.879096,
2.987584649566327e-16
],
[
0,
0,
4.879096
]
] | [
69,
82,
82,
82
] | [
1,
1,
1
] | -0.215892 | 0 | 0 | 221 | 221 | [
"Tm",
"Pb"
] |
mp-22717 | mp-22717 | CaIn2Pd | # generated using pymatgen
data_CaIn2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70682265
_cell_length_b 5.70682265
_cell_length_c 7.92415000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 133.43714288
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaIn2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51121800
_cell_length_b 10.48428401
_cell_length_c 7.92415000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-7.155774391869926e-16,
0.6863851054391763,
1.9810374999999993
],
[
2.2556090016173207,
4.555756898587036,
5.943112500000002
],
[
-3.789194134456589e-17,
3.72580000794159,
0.4214459177500001
],
[
2.2556090016173194,
1.516341996084622,
7.502704082250001
... | [
[
4.5112180032346405,
0,
1.2779240536547852e-15
],
[
-2.25560900161732,
5.242142004026212,
3.494421045812058e-16
],
[
0,
0,
7.92415
]
] | [
20,
20,
49,
49,
49,
49,
46,
46
] | [
1,
1,
1
] | -0.613734 | 0 | 0 | 63 | 63 | [
"Ca",
"In",
"Pd"
] |
mp-675124 | mp-675124 | In4SnS8 | # generated using pymatgen
data_In4SnS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66262476
_cell_length_b 7.66262476
_cell_length_c 7.66262556
_cell_angle_alpha 60.13647611
_cell_angle_beta 60.13647611
_cell_angle_gamma 60.13647562
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_In4SnS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67842623
_cell_length_b 7.67842623
_cell_length_c 18.75013891
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
7.745315719462312,
3.3073522808833125,
13.378458994380951
],
[
8.766773790910014,
6.205453246785802,
11.599468783855604
],
[
5.693930514676976,
6.205453246785802,
13.378458994380951
],
[
3.2963632572989754,
2.333290280490746,
5.693797623229157
],
[
... | [
[
6.6451348908633685,
0,
3.815494790298546
],
[
2.2089400792519824,
6.267248315173411,
3.815494790298546
],
[
0,
0,
7.66262556
]
] | [
49,
49,
49,
49,
50,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.792301 | 0.2464 | 0.013727 | 160 | 160 | [
"In",
"S",
"Sn"
] |
mp-22234 | mp-22234 | Eu2C(NO)2 | # generated using pymatgen
data_Eu2C(NO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86207743
_cell_length_b 3.86207743
_cell_length_c 8.35405500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999022
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Eu2C(NO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86207743
_cell_length_b 3.86207743
_cell_length_c 8.35405500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.972230857664769e-16,
2.2297713339699436,
1.4974309425300008
],
[
1.9310390004551115,
1.1148856669849716,
6.856624057470001
],
[
0,
0,
4.1770275
],
[
0,
0,
5.4141878590050005
],
[
0,
0,
2.9398671409950006
],
[
5.972230857664769e-... | [
[
3.862078000910222,
0,
1.0940376569953706e-15
],
[
-1.9310390004551108,
3.344657000954915,
2.364840381354368e-16
],
[
0,
0,
8.354055
]
] | [
63,
63,
6,
7,
7,
8,
8
] | [
1,
1,
1
] | -1.897322 | 0 | 0.027794 | 164 | 164 | [
"C",
"Eu",
"N",
"O"
] |
mp-865989 | mp-865989 | Al2IrRu | # generated using pymatgen
data_Al2IrRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25626663
_cell_length_b 4.25626663
_cell_length_c 4.25626663
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Al2IrRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01926999
_cell_length_b 6.01926999
_cell_length_c 6.01926999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.2286783422866607,
0.8688067877279446,
2.128133315000001
],
[
3.6860350268599813,
2.6064203631838314,
6.384399944999999
],
[
2.457356684573321,
1.7376135754558877,
4.256266629999999
],
[
0,
0,
0
]
] | [
[
3.686035026859982,
0,
2.1281333149999995
],
[
1.22867834228666,
3.4752271509117754,
2.1281333149999995
],
[
0,
0,
4.25626663
]
] | [
13,
13,
77,
44
] | [
1,
1,
1
] | -0.887818 | 0 | 0 | 225 | 225 | [
"Al",
"Ir",
"Ru"
] |
mp-9756 | mp-9756 | ThGeO4 | # generated using pymatgen
data_ThGeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.86933671
_cell_length_b 6.86933671
_cell_length_c 6.86933671
_cell_angle_alpha 135.59923585
_cell_angle_beta 135.59923585
_cell_angle_gamma 64.60053513
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ThGeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19111600
_cell_length_b 5.19111600
_cell_length_c 11.61274200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.0029107046464936,
2.3695812811627808,
-1.9614474041532333
],
[
0.6012217938172532,
3.5543719217441714,
1.4732209508132965
],
[
0,
0,
0
],
[
3.404599615475733,
1.1847906405813904,
1.4732209508802365
],
[
0.8336064427846422,
1.585865968231003... | [
[
4.806288526304974,
0,
-1.9614474040862935
],
[
-0.8004671170119867,
4.739162562325561,
-1.9614474042201728
],
[
0,
0,
6.86933671
]
] | [
90,
90,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.233392 | 3.9626 | 0.023501 | 88 | 88 | [
"Th",
"Ge",
"O"
] |
mp-1112588 | mp-1112588 | Cs2MnHgF6 | # generated using pymatgen
data_Cs2MnHgF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39052100
_cell_length_b 6.39052166
_cell_length_c 6.39052176
_cell_angle_alpha 59.99999637
_cell_angle_beta 59.99999877
_cell_angle_gamma 59.99999823
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cs2MnHgF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.03756199
_cell_length_b 9.03756199
_cell_length_c 9.03756199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.534353524446158,
3.913379249251407,
9.585782307179551
],
[
1.8447845081487202,
1.3044597497504717,
3.1952607690598516
],
[
0,
0,
0
],
[
3.6895690162974386,
2.608919499500939,
6.390521538119701
],
[
2.701203396422163,
4.00667942839256,
8... | [
[
5.5343538645608,
0,
3.195261239515495
],
[
1.8447841680340764,
5.217838999001875,
3.1952606776929535
],
[
0,
0,
6.390521159030953
]
] | [
55,
55,
25,
80,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.619094 | 0.3874 | 0.049775 | 225 | 225 | [
"Cs",
"F",
"Hg",
"Mn"
] |
mp-1516994 | mp-1516994 | Sr2NdSbO6 | # generated using pymatgen
data_Sr2NdSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06214466
_cell_length_b 6.06214466
_cell_length_c 6.06214466
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Sr2NdSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.57316720
_cell_length_b 8.57316720
_cell_length_c 8.57316720
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.249971276976178,
3.7122902909844537,
9.09321699
],
[
1.7499904256587258,
1.2374300969948175,
3.031072329999998
],
[
0,
0,
0
],
[
3.4999808513174533,
2.4748601939896355,
6.0621446599999995
],
[
2.685309838449438,
3.626978989259806,
4.651... | [
[
5.249971276976179,
0,
3.0310723299999993
],
[
1.7499904256587249,
4.949720387979272,
3.0310723300000006
],
[
0,
0,
6.0621446599999995
]
] | [
38,
38,
60,
51,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.946758 | 3.3416 | 0.053877 | 225 | 225 | [
"Nd",
"O",
"Sb",
"Sr"
] |
mp-8081 | mp-8081 | Na2SnF6 | # generated using pymatgen
data_Na2SnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15699200
_cell_length_b 5.15699200
_cell_length_c 10.28026300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Na2SnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15699200
_cell_length_b 5.15699200
_cell_length_c 10.28026300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
3.459380461341
],
[
2.578496,
2.578496,
8.599511961341
],
[
0,
0,
6.820882538659
],
[
2.578496,
2.578496,
1.6807510386590003
],
[
0,
0,
0
],
[
2.578496,
2.578496,
5.1401315
],
[
3.735755946751999,
3.73575... | [
[
5.156992,
0,
3.1577468730142536e-16
],
[
-3.1577468730142536e-16,
5.156992,
3.1577468730142536e-16
],
[
0,
0,
10.280263
]
] | [
11,
11,
11,
11,
50,
50,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.995173 | 4.9678 | 0 | 136 | 136 | [
"F",
"Na",
"Sn"
] |
mp-569264 | mp-569264 | NdIr5 | # generated using pymatgen
data_NdIr5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35986726
_cell_length_b 5.35986726
_cell_length_c 4.32885100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999093
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdIr5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35986726
_cell_length_b 5.35986726
_cell_length_c 4.32885100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.164425500000001,
2.3208908161547908,
-1.3399671824001633
],
[
4.328851000000001,
1.5472605441031946,
2.6799333850665574
],
[
2.164425500000002,
4.641781632309581,
-7.348003275486829e-7
],
[
1.184758657647634e-15,
3.094521088206... | [
[
4.328851,
0,
2.65065676056791e-16
],
[
1.7771379864714507e-15,
4.6417816323095815,
-2.6799343648003275
],
[
0,
0,
5.35986726
]
] | [
60,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.278193 | 0 | 0.078144 | 191 | 191 | [
"Ir",
"Nd"
] |
mp-1208432 | mp-1208432 | Ta3MnS6 | # generated using pymatgen
data_Ta3MnS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73975060
_cell_length_b 5.73975060
_cell_length_c 11.94226300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000687
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ta3MnS6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73975060
_cell_length_b 5.73975060
_cell_length_c 11.94226300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
0,
0,
5.9711315
],
[
2.8698750019921038,
1.6569233343473007,
5.923541581945002
],
[
-2.1241342033385344e-16,
3.3138466686946013,
11.894673081945001
],
[
-2.1241342033385344e-16,
3.3138466686946013,
6.0187214180550015
],
[... | [
[
5.739750003984208,
0,
1.6259388455173839e-15
],
[
-2.8698750019921047,
4.970770003041902,
3.5145836000970506e-16
],
[
0,
0,
11.942263
]
] | [
73,
73,
73,
73,
73,
73,
25,
25,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.316993 | 0 | 0.020986 | 182 | 182 | [
"Mn",
"S",
"Ta"
] |
mp-1112899 | mp-1112899 | Cs2ScHgI6 | # generated using pymatgen
data_Cs2ScHgI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.69093207
_cell_length_b 8.69093207
_cell_length_c 8.69093207
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cs2ScHgI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.29083400
_cell_length_b 12.29083400
_cell_length_c 12.29083400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.5088559850616265,
1.774029080057532,
4.345466035000002
],
[
7.52656795518488,
5.322087240172594,
13.036398105
],
[
0,
0,
0
],
[
5.017711970123252,
3.5480581601150614,
8.690932069999999
],
[
3.6961971685518917,
5.41696231537407,
6.402001... | [
[
7.526567955184878,
0,
4.345466034999999
],
[
2.508855985061628,
7.0961163202301245,
4.345466034999999
],
[
0,
0,
8.69093207
]
] | [
55,
55,
21,
80,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.342414 | 0 | 0.036975 | 225 | 225 | [
"Cs",
"Hg",
"I",
"Sc"
] |
mp-1217942 | mp-1217942 | TaNbTe4 | # generated using pymatgen
data_TaNbTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35455193
_cell_length_b 9.91943388
_cell_length_c 7.79135802
_cell_angle_alpha 69.65768170
_cell_angle_beta 76.52001498
_cell_angle_gamma 100.70486490
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TaNbTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35455193
_cell_length_b 7.79135802
_cell_length_c 10.26483937
_cell_angle_alpha 64.96936393
_cell_angle_beta 69.11859974
_cell_angle_gamma 76.52001498
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.324130452568656,
0.09602298749670975,
2.381245997645568
],
[
4.863857423202205,
6.912562750996109,
5.8406111811460075
],
[
1.25321820588171,
6.912721763791301,
6.525007961074481
],
[
-1.0704635668470541,
6.81919458581913,
4.154223389849896
],
[
... | [
[
7.226560871069154,
0,
-1.3661083660526223
],
[
-2.360390905541355,
6.913599790964754,
-2.7084963539255695
],
[
0,
0,
9.919433879999998
]
] | [
73,
73,
73,
41,
41,
41,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -0.686258 | 0 | 0.007046 | 1 | 1 | [
"Nb",
"Ta",
"Te"
] |
mp-862262 | mp-862262 | LaCdHg2 | # generated using pymatgen
data_LaCdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27871334
_cell_length_b 5.27871334
_cell_length_c 5.27871334
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LaCdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46522800
_cell_length_b 7.46522800
_cell_length_c 7.46522800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.0476665678238692,
2.1550256969037886,
5.278713340000001
],
[
4.571499851735803,
3.232538545355683,
7.918070010000002
],
[
1.5238332839119344,
1.0775128484518948,
2.6393566699999993
]
] | [
[
4.571499851735803,
0,
2.6393566700000006
],
[
1.5238332839119335,
4.310051393807577,
2.6393566700000006
],
[
0,
0,
5.27871334
]
] | [
57,
48,
80,
80
] | [
1,
1,
1
] | -0.457631 | 0 | 0 | 225 | 225 | [
"La",
"Cd",
"Hg"
] |
mp-1205853 | mp-1205853 | Nd2InAu2 | # generated using pymatgen
data_Nd2InAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18161100
_cell_length_b 8.18161100
_cell_length_c 3.85427800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Nd2InAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18161100
_cell_length_b 8.18161100
_cell_length_c 3.85427800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.9271389999999995,
5.509226854237,
1.4184213542370003
],
[
1.9271390000000002,
2.672384145763,
6.763189645763
],
[
1.927139,
1.4184213542369999,
2.6723841457630004
],
[
1.9271389999999995,
6.763189645763,
5.509226854237001
],
[
0,
0,
0
... | [
[
3.854278,
0,
2.360064607862031e-16
],
[
-5.009791861509387e-16,
8.181611,
5.009791861509387e-16
],
[
0,
0,
8.181611
]
] | [
60,
60,
60,
60,
49,
49,
79,
79,
79,
79
] | [
1,
1,
1
] | -0.772347 | 0 | 0 | 127 | 127 | [
"Au",
"In",
"Nd"
] |
mp-24816 | mp-24816 | K2Cr2Cd(H2O5)2 | # generated using pymatgen
data_K2Cr2Cd(H2O5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04453601
_cell_length_b 6.50927484
_cell_length_c 7.74458533
_cell_angle_alpha 109.82949600
_cell_angle_beta 96.47425104
_cell_angle_gamma 109.87010669
_symmetry_Int_Tables_number 1
_chemical_formula_str... | # generated using pymatgen
data_K2Cr2Cd(H2O5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04453601
_cell_length_b 6.50927484
_cell_length_c 8.20860053
_cell_angle_alpha 102.86489636
_cell_angle_beta 111.12829679
_cell_angle_gamma 109.87010669
_symmetry_Int_Tables_number 1
_chemical_formula_st... | [
[
0.3649941375646428,
3.94944780464924,
0.09400687675289561
],
[
3.1637881612494736,
1.6504135328260745,
4.760925786858767
],
[
3.196766444965731,
1.9557179729452285,
0.6281623828833461
],
[
0.33201585384838445,
3.6441433645300854,
4.226770280728316
],
... | [
[
6.005987763359478,
0,
-0.6815618552728202
],
[
-2.4772054645453623,
5.599861337475314,
-2.208090811115517
],
[
0,
0,
7.74458533
]
] | [
19,
19,
24,
24,
48,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.696598 | 2.769 | 0 | 2 | 2 | [
"Cd",
"Cr",
"H",
"K",
"O"
] |
mp-1218256 | mp-1218256 | SrIn3Hg | # generated using pymatgen
data_SrIn3Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13473080
_cell_length_b 7.13473080
_cell_length_c 7.13473080
_cell_angle_alpha 140.37302567
_cell_angle_beta 140.37302567
_cell_angle_gamma 57.28734806
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_SrIn3Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83676800
_cell_length_b 4.83676800
_cell_length_c 12.52313399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.0038449225321110546,
0.004381089786150542,
0.010671800494373895
],
[
3.261605057442451,
1.1239367754886287,
1.9180389689091817
],
[
0.6910465811656306,
3.3799047395208333,
1.9180389687705177
],
[
1.5441581105969344,
1.7594880703157811,
4.28589838948252... | [
[
4.550436196210423,
0,
-1.6394679294319379
],
[
-0.5906807563432194,
4.5119359280644105,
-1.6394679297092634
],
[
0,
0,
7.134730800000001
]
] | [
38,
49,
49,
49,
80
] | [
1,
1,
1
] | -0.300177 | 0 | 0 | 107 | 107 | [
"Hg",
"In",
"Sr"
] |
mp-998428 | mp-998428 | CsCaI3 | # generated using pymatgen
data_CsCaI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76388300
_cell_length_b 10.80214400
_cell_length_c 18.11884700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CsCaI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76388300
_cell_length_b 10.80214400
_cell_length_c 18.11884700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.5729122499999995,
6.1730688252479995,
3.1751829859740006
],
[
1.1909707499999997,
4.629075174752,
14.943664014026
],
[
3.57291225,
0.7719968252480001,
5.884240514026
],
[
1.1909707499999993,
10.030147174752,
12.234606485974
],
[
1.1909707499999... | [
[
4.763883,
0,
2.917037033731245e-16
],
[
-6.614405536764394e-16,
10.802144,
6.614405536764394e-16
],
[
0,
0,
18.118847
]
] | [
55,
55,
55,
55,
20,
20,
20,
20,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.843519 | 3.6642 | 0 | 62 | 62 | [
"Ca",
"Cs",
"I"
] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.