Unnamed: 0.1 int64 0 27.1k | Unnamed: 0 int64 1 45.2k | material_id stringlengths 4 10 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 17.9 | pretty_formula stringlengths 1 18 | e_above_hull float64 0 0.08 | elements stringlengths 5 40 | cif stringlengths 692 1.73k | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | cif.conv stringlengths 696 5.07k |
|---|---|---|---|---|---|---|---|---|---|---|---|
24,100 | 24,011 | mp-1030155 | -0.507907 | 1.0257 | Te8Mo3W | 0.006427 | ['Mo', 'Te', 'W'] | # generated using pymatgen
data_Te8Mo3W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55932983
_cell_length_b 3.55932983
_cell_length_c 40.10720000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999677
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 156 | 156 | # generated using pymatgen
data_Te8Mo3W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55932983
_cell_length_b 3.55932983
_cell_length_c 40.10720000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,101 | 9,527 | mp-1078428 | -0.971204 | 0 | Ca2GaPt2 | 0 | ['Ca', 'Ga', 'Pt'] | # generated using pymatgen
data_Ca2GaPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70280595
_cell_length_b 5.70280595
_cell_length_c 7.87923807
_cell_angle_alpha 79.03743716
_cell_angle_beta 79.03743716
_cell_angle_gamma 59.86498511
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_Ca2GaPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.88426199
_cell_length_b 5.69116400
_cell_length_c 7.87923807
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.67599456
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,102 | 40,085 | mp-1114621 | -2.44952 | 4.7176 | Rb3DyCl6 | 0.055164 | ['Cl', 'Dy', 'Rb'] | # generated using pymatgen
data_Rb3DyCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13634115
_cell_length_b 8.13634115
_cell_length_c 8.13634115
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Rb3DyCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.50652400
_cell_length_b 11.50652400
_cell_length_c 11.50652400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,103 | 25,243 | mp-1223664 | -0.402773 | 2.6551 | K2H4Pt | 0.008786 | ['H', 'K', 'Pt'] | # generated using pymatgen
data_K2H4Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66924678
_cell_length_b 5.66924678
_cell_length_c 5.66924678
_cell_angle_alpha 118.34966757
_cell_angle_beta 118.34966757
_cell_angle_gamma 92.88304707
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_K2H4Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81007200
_cell_length_b 5.81007200
_cell_length_c 7.81329399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,104 | 10,173 | mp-1218928 | -0.505003 | 0 | SnSbPt | 0 | ['Pt', 'Sb', 'Sn'] | # generated using pymatgen
data_SnSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98031000
_cell_length_b 5.53752000
_cell_length_c 6.64049267
_cell_angle_alpha 88.43636842
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 10 | 10 | # generated using pymatgen
data_SnSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53752000
_cell_length_b 3.98031000
_cell_length_c 6.64049267
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.56363158
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,105 | 19,020 | mp-1068954 | -2.963455 | 0 | Tb2BiO2 | 0 | ['Bi', 'O', 'Tb'] | # generated using pymatgen
data_Tb2BiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35579546
_cell_length_b 7.35579546
_cell_length_c 7.35579546
_cell_angle_alpha 149.15363014
_cell_angle_beta 149.15363014
_cell_angle_gamma 44.18521938
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_Tb2BiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91249200
_cell_length_b 3.91249200
_cell_length_c 13.63142399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,106 | 2,387 | mp-569406 | -0.38779 | 0 | TmZn2 | 0 | ['Tm', 'Zn'] | # generated using pymatgen
data_TmZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60074027
_cell_length_b 5.60074027
_cell_length_c 5.60074027
_cell_angle_alpha 132.86503080
_cell_angle_beta 102.61118680
_cell_angle_gamma 95.81936635
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_TmZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47867600
_cell_length_b 7.00278999
_cell_length_c 7.50836599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
24,107 | 23,033 | mp-1079945 | -0.59698 | 0 | SrAs3 | 0.004829 | ['As', 'Sr'] | # generated using pymatgen
data_SrAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02221500
_cell_length_b 6.18709414
_cell_length_c 6.24395837
_cell_angle_alpha 77.69302723
_cell_angle_beta 70.18257546
_cell_angle_gamma 74.26204241
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 2 | 2 | # generated using pymatgen
data_SrAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02221500
_cell_length_b 6.18709414
_cell_length_c 6.24395837
_cell_angle_alpha 77.69302723
_cell_angle_beta 70.18257546
_cell_angle_gamma 74.26204241
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
24,108 | 21,954 | mp-865492 | -1.219312 | 1.1208 | LuCuPbSe3 | 0.001765 | ['Cu', 'Lu', 'Pb', 'Se'] | # generated using pymatgen
data_LuCuPbSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.09158652
_cell_length_b 7.09158652
_cell_length_c 10.44859900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.92492001
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 36 | 36 | # generated using pymatgen
data_LuCuPbSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03714800
_cell_length_b 13.59646401
_cell_length_c 10.44859900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,109 | 3,701 | mp-1225864 | -1.972907 | 1.634 | CsVTeO6 | 0 | ['Cs', 'O', 'Te', 'V'] | # generated using pymatgen
data_CsVTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19837693
_cell_length_b 7.19837693
_cell_length_c 7.19837693
_cell_angle_alpha 120.73414734
_cell_angle_beta 119.30518867
_cell_angle_gamma 89.97039477
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 74 | 74 | # generated using pymatgen
data_CsVTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11835200
_cell_length_b 7.27384200
_cell_length_c 10.18267200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,110 | 37,748 | mp-1224713 | -0.339663 | 0 | Fe2NiP | 0.043845 | ['Fe', 'Ni', 'P'] | # generated using pymatgen
data_Fe2NiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74702632
_cell_length_b 6.74702632
_cell_length_c 6.74702632
_cell_angle_alpha 96.16968961
_cell_angle_beta 96.16968961
_cell_angle_gamma 141.72559542
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 82 | 82 | # generated using pymatgen
data_Fe2NiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.01442400
_cell_length_b 9.01442400
_cell_length_c 4.42377400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,111 | 16,080 | mp-1105331 | -0.27814 | 0 | Dy12Co5Sn | 0 | ['Co', 'Dy', 'Sn'] | # generated using pymatgen
data_Dy12Co5Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.34623729
_cell_length_b 8.34623729
_cell_length_c 8.34623729
_cell_angle_alpha 107.10015993
_cell_angle_beta 110.41895721
_cell_angle_gamma 110.92066170
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 71 | 71 | # generated using pymatgen
data_Dy12Co5Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.46424400
_cell_length_b 9.52435400
_cell_length_c 9.91733200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,112 | 9,782 | mp-22287 | -0.529377 | 0 | NbGeIr | 0 | ['Nb', 'Ge', 'Ir'] | # generated using pymatgen
data_NbGeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92851700
_cell_length_b 6.52249100
_cell_length_c 7.47706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_NbGeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92851700
_cell_length_b 6.52249100
_cell_length_c 7.47706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,113 | 29,780 | mp-1223567 | -0.452799 | 0 | KBa2(FeAs)6 | 0.018688 | ['As', 'Ba', 'Fe', 'K'] | # generated using pymatgen
data_KBa2(FeAs)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48060788
_cell_length_b 7.10279964
_cell_length_c 8.78494229
_cell_angle_alpha 111.86043409
_cell_angle_beta 108.17569578
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 12 | 12 | # generated using pymatgen
data_KBa2(FeAs)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.69322561
_cell_length_b 5.48060788
_cell_length_c 7.10279964
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.07284259
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,114 | 41,749 | mp-1226665 | -0.634655 | 0 | CeCuPt4 | 0.061169 | ['Ce', 'Cu', 'Pt'] | # generated using pymatgen
data_CeCuPt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37387589
_cell_length_b 5.37387589
_cell_length_c 4.35847200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999858
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_CeCuPt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37387589
_cell_length_b 5.37387589
_cell_length_c 4.35847200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,115 | 13,811 | mp-4609 | -3.655535 | 5.3063 | HfSiO4 | 0 | ['Hf', 'O', 'Si'] | # generated using pymatgen
data_HfSiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56457889
_cell_length_b 5.56457889
_cell_length_c 5.56457889
_cell_angle_alpha 106.93889778
_cell_angle_beta 106.93889778
_cell_angle_gamma 114.66402757
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 141 | 141 | # generated using pymatgen
data_HfSiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62464600
_cell_length_b 6.62464600
_cell_length_c 6.00718600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,116 | 40,723 | mp-1224032 | -0.517183 | 1.0658 | In2CuTe3I | 0.056871 | ['Cu', 'I', 'In', 'Te'] | # generated using pymatgen
data_In2CuTe3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26692158
_cell_length_b 6.26348525
_cell_length_c 7.68949331
_cell_angle_alpha 66.03881510
_cell_angle_beta 66.06425601
_cell_angle_gamma 89.89421847
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 1 | 1 | # generated using pymatgen
data_In2CuTe3I
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26348525
_cell_length_b 6.26692158
_cell_length_c 7.68949331
_cell_angle_alpha 113.93574399
_cell_angle_beta 113.96118490
_cell_angle_gamma 89.89421847
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,117 | 25,191 | mp-1217321 | -0.637871 | 0 | Th2FeSi3 | 0.008167 | ['Fe', 'Si', 'Th'] | # generated using pymatgen
data_Th2FeSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63727403
_cell_length_b 7.63727403
_cell_length_c 7.63727403
_cell_angle_alpha 149.13654219
_cell_angle_beta 148.57710018
_cell_angle_gamma 44.62376465
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 44 | 44 | # generated using pymatgen
data_Th2FeSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06440400
_cell_length_b 4.13623800
_cell_length_c 14.13095799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,118 | 10,293 | mp-23432 | -3.602753 | 5.443 | BaClF | 0 | ['Ba', 'Cl', 'F'] | # generated using pymatgen
data_BaClF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46110700
_cell_length_b 4.46110700
_cell_length_c 7.34887200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 129 | 129 | # generated using pymatgen
data_BaClF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46110700
_cell_length_b 4.46110700
_cell_length_c 7.34887200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
24,119 | 8,771 | mp-20740 | -0.488502 | 0.4708 | Tl4Te3Pb | 0 | ['Tl', 'Te', 'Pb'] | # generated using pymatgen
data_Tl4Te3Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.27207857
_cell_length_b 9.27207857
_cell_length_c 9.27207857
_cell_angle_alpha 121.95733416
_cell_angle_beta 121.95733416
_cell_angle_gamma 86.64196492
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 140 | 140 | # generated using pymatgen
data_Tl4Te3Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.99642400
_cell_length_b 8.99642400
_cell_length_c 13.49127401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,120 | 43,181 | mp-1219041 | -0.622398 | 0.9176 | Sn3SbSe2I5 | 0.069533 | ['I', 'Sb', 'Se', 'Sn'] | # generated using pymatgen
data_Sn3SbSe2I5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51954864
_cell_length_b 7.51954864
_cell_length_c 12.71795483
_cell_angle_alpha 81.95302359
_cell_angle_beta 81.95302359
_cell_angle_gamma 33.83271090
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 8 | 8 | # generated using pymatgen
data_Sn3SbSe2I5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.38836400
_cell_length_b 4.37600600
_cell_length_c 12.71795483
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.41349199
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,121 | 41,477 | mp-978560 | -0.223789 | 0 | SmZnAg2 | 0.060612 | ['Ag', 'Sm', 'Zn'] | # generated using pymatgen
data_SmZnAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92329743
_cell_length_b 4.92329743
_cell_length_c 4.92329743
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_SmZnAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96259400
_cell_length_b 6.96259400
_cell_length_c 6.96259400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,122 | 10,416 | mp-6799 | -1.317639 | 2.2792 | LiCa4(BN2)3 | 0 | ['B', 'Ca', 'Li', 'N'] | # generated using pymatgen
data_LiCa4(BN2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17841056
_cell_length_b 6.17841056
_cell_length_c 6.17841056
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 229 | 229 | # generated using pymatgen
data_LiCa4(BN2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13421400
_cell_length_b 7.13421400
_cell_length_c 7.13421400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,123 | 7,937 | mp-865179 | -0.523394 | 0 | Hf2FeOs | 0 | ['Hf', 'Fe', 'Os'] | # generated using pymatgen
data_Hf2FeOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53898348
_cell_length_b 4.53898348
_cell_length_c 4.53898348
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Hf2FeOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41909200
_cell_length_b 6.41909200
_cell_length_c 6.41909200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,124 | 30,570 | mp-1113722 | -1.367321 | 1.1771 | Rb2AgSbBr6 | 0.020614 | ['Ag', 'Br', 'Rb', 'Sb'] | # generated using pymatgen
data_Rb2AgSbBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.99775812
_cell_length_b 7.99775812
_cell_length_c 7.99775812
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 225 | 225 | # generated using pymatgen
data_Rb2AgSbBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.31053800
_cell_length_b 11.31053800
_cell_length_c 11.31053800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,125 | 10,006 | mp-1025032 | -0.017135 | 0 | PuCu2 | 0 | ['Cu', 'Pu'] | # generated using pymatgen
data_PuCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42521404
_cell_length_b 5.42521404
_cell_length_c 5.42521404
_cell_angle_alpha 132.71724235
_cell_angle_beta 104.46120118
_cell_angle_gamma 94.12282840
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_PuCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35113800
_cell_length_b 6.64572400
_cell_length_c 7.39146400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
24,126 | 33,336 | mp-24339 | -0.99986 | 0 | Sm5Sb3H | 0.028538 | ['H', 'Sb', 'Sm'] | # generated using pymatgen
data_Sm5Sb3H
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.21377147
_cell_length_b 9.21377147
_cell_length_c 6.33775000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999617
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_Sm5Sb3H
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.21377147
_cell_length_b 9.21377147
_cell_length_c 6.33775000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,127 | 42,546 | mp-1101014 | -0.430755 | 0 | Tl2Fe3Se4 | 0.067119 | ['Fe', 'Se', 'Tl'] | # generated using pymatgen
data_Tl2Fe3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53704100
_cell_length_b 7.62205807
_cell_length_c 10.84683565
_cell_angle_alpha 69.70276972
_cell_angle_beta 89.48891368
_cell_angle_gamma 89.59965098
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_Tl2Fe3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53704100
_cell_length_b 7.62205807
_cell_length_c 10.84683565
_cell_angle_alpha 69.70276972
_cell_angle_beta 89.48891368
_cell_angle_gamma 89.59965098
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,128 | 4,497 | mp-996943 | -1.721765 | 1.9899 | Cs2NaInBr6 | 0 | ['Br', 'Cs', 'In', 'Na'] | # generated using pymatgen
data_Cs2NaInBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.03042080
_cell_length_b 8.03042080
_cell_length_c 8.03042080
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 225 | 225 | # generated using pymatgen
data_Cs2NaInBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.35673001
_cell_length_b 11.35673001
_cell_length_c 11.35673001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,129 | 15,279 | mp-23486 | -1.551503 | 0.7182 | RbNiCl3 | 0 | ['Rb', 'Ni', 'Cl'] | # generated using pymatgen
data_RbNiCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05616239
_cell_length_b 7.05616239
_cell_length_c 5.94362500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000369
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_RbNiCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05616239
_cell_length_b 7.05616239
_cell_length_c 5.94362500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,130 | 36,089 | mp-1177761 | -1.709511 | 0.8652 | Li3Fe2(CoO4)2 | 0.039195 | ['Co', 'Fe', 'Li', 'O'] | # generated using pymatgen
data_Li3Fe2(CoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89235912
_cell_length_b 5.89235912
_cell_length_c 5.87240373
_cell_angle_alpha 60.28375367
_cell_angle_beta 60.28375367
_cell_angle_gamma 60.64568612
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 12 | 12 | # generated using pymatgen
data_Li3Fe2(CoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.17250201
_cell_length_b 5.94977200
_cell_length_c 5.87240373
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.04839133
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
24,131 | 1,250 | mp-14551 | -3.575768 | 2.2113 | Sr2CaUO6 | 0 | ['Ca', 'O', 'Sr', 'U'] | # generated using pymatgen
data_Sr2CaUO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13709500
_cell_length_b 5.97358500
_cell_length_c 10.39855606
_cell_angle_alpha 55.15899814
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_Sr2CaUO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97358500
_cell_length_b 6.13709500
_cell_length_c 10.39855606
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.84100186
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,132 | 4,127 | mp-1188994 | -0.141913 | 0 | Tb3Co | 0 | ['Co', 'Tb'] | # generated using pymatgen
data_Tb3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.32871300
_cell_length_b 6.95677300
_cell_length_c 9.44956100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 62 | 62 | # generated using pymatgen
data_Tb3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.32871300
_cell_length_b 6.95677300
_cell_length_c 9.44956100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
24,133 | 37,946 | mp-774694 | -1.448179 | 0 | Li2Ni3SnO8 | 0.044052 | ['Li', 'Ni', 'O', 'Sn'] | # generated using pymatgen
data_Li2Ni3SnO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97655534
_cell_length_b 5.97655508
_cell_length_c 5.97655492
_cell_angle_alpha 58.50082646
_cell_angle_beta 58.50082915
_cell_angle_gamma 58.50083609
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Li2Ni3SnO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84061921
_cell_length_b 5.84061921
_cell_length_c 14.80318895
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,134 | 30,752 | mp-1226498 | -0.456629 | 0 | CePrAl4 | 0.020746 | ['Al', 'Ce', 'Pr'] | # generated using pymatgen
data_CePrAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66069667
_cell_length_b 5.66069667
_cell_length_c 5.66069667
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 216 | 216 | # generated using pymatgen
data_CePrAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00543400
_cell_length_b 8.00543400
_cell_length_c 8.00543400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,135 | 5,162 | mp-1210067 | -0.571586 | 0.3707 | Nd3Cu3Bi4 | 0 | ['Bi', 'Cu', 'Nd'] | # generated using pymatgen
data_Nd3Cu3Bi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62124306
_cell_length_b 8.62124306
_cell_length_c 8.62124306
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 220 | 220 | # generated using pymatgen
data_Nd3Cu3Bi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.95495400
_cell_length_b 9.95495400
_cell_length_c 9.95495400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,136 | 12,943 | mp-864989 | -0.198629 | 0 | Mn2AlRe | 0 | ['Mn', 'Al', 'Re'] | # generated using pymatgen
data_Mn2AlRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13132087
_cell_length_b 4.13132087
_cell_length_c 4.13132087
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Mn2AlRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84257000
_cell_length_b 5.84257000
_cell_length_c 5.84257000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,137 | 23,813 | mp-21398 | -0.223365 | 0 | HoIn5Co | 0.005382 | ['Co', 'Ho', 'In'] | # generated using pymatgen
data_HoIn5Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58676500
_cell_length_b 4.58676500
_cell_length_c 7.54353800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 123 | 123 | # generated using pymatgen
data_HoIn5Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58676500
_cell_length_b 4.58676500
_cell_length_c 7.54353800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,138 | 29,702 | mp-1215907 | -1.120713 | 1.0843 | YAgTe2 | 0.018421 | ['Ag', 'Te', 'Y'] | # generated using pymatgen
data_YAgTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52651750
_cell_length_b 4.52651750
_cell_length_c 7.31460200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999268
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 156 | 156 | # generated using pymatgen
data_YAgTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52651750
_cell_length_b 4.52651750
_cell_length_c 7.31460200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,139 | 7,165 | mp-1214389 | -1.844385 | 2.0029 | BaPb3O4 | 0 | ['Ba', 'O', 'Pb'] | # generated using pymatgen
data_BaPb3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00435768
_cell_length_b 8.00435768
_cell_length_c 6.34477100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999736
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 190 | 190 | # generated using pymatgen
data_BaPb3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00435768
_cell_length_b 8.00435768
_cell_length_c 6.34477100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,140 | 43,632 | mp-1185455 | -0.067737 | 0 | LiRh3 | 0.072131 | ['Li', 'Rh'] | # generated using pymatgen
data_LiRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67692926
_cell_length_b 4.67692926
_cell_length_c 4.67692926
_cell_angle_alpha 132.36483191
_cell_angle_beta 132.36483191
_cell_angle_gamma 69.65342132
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_LiRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77733200
_cell_length_b 3.77733200
_cell_length_c 7.67842400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
24,141 | 2,284 | mp-21430 | -0.314903 | 0 | YbPb3 | 0 | ['Pb', 'Yb'] | # generated using pymatgen
data_YbPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91695900
_cell_length_b 4.91695900
_cell_length_c 4.91695900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 221 | 221 | # generated using pymatgen
data_YbPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91695900
_cell_length_b 4.91695900
_cell_length_c 4.91695900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... |
24,142 | 5,854 | mp-5339 | -1.151275 | 1.9854 | CsNaTe | 0 | ['Cs', 'Na', 'Te'] | # generated using pymatgen
data_CsNaTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36076700
_cell_length_b 5.36076700
_cell_length_c 8.67694900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 129 | 129 | # generated using pymatgen
data_CsNaTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36076700
_cell_length_b 5.36076700
_cell_length_c 8.67694900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,143 | 25,208 | mp-1218705 | -3.044712 | 2.0867 | Sr2TaFeO6 | 0.008194 | ['Fe', 'O', 'Sr', 'Ta'] | # generated using pymatgen
data_Sr2TaFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67782421
_cell_length_b 5.67782421
_cell_length_c 9.83428001
_cell_angle_alpha 73.22134512
_cell_angle_beta 73.22134512
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 225 | 225 | # generated using pymatgen
data_Sr2TaFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.02965600
_cell_length_b 8.02965600
_cell_length_c 8.02965600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,144 | 44 | mp-19989 | -0.304555 | 0 | Ce2In8Co | 0 | ['Ce', 'Co', 'In'] | # generated using pymatgen
data_Ce2In8Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66310900
_cell_length_b 4.66310900
_cell_length_c 12.34555200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 123 | 123 | # generated using pymatgen
data_Ce2In8Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66310900
_cell_length_b 4.66310900
_cell_length_c 12.34555200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,145 | 43,624 | mp-1183720 | 0.072253 | 0 | CdSn3 | 0.072253 | ['Cd', 'Sn'] | # generated using pymatgen
data_CdSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16740128
_cell_length_b 6.16740128
_cell_length_c 6.16740128
_cell_angle_alpha 136.88509407
_cell_angle_beta 136.88509407
_cell_angle_gamma 62.61489374
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_CdSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53222600
_cell_length_b 4.53222600
_cell_length_c 10.53874799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,146 | 6,495 | mp-998762 | -2.599181 | 3.1078 | MnTlF3 | 0 | ['F', 'Mn', 'Tl'] | # generated using pymatgen
data_MnTlF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31617800
_cell_length_b 4.31617800
_cell_length_c 4.31617800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 221 | 221 | # generated using pymatgen
data_MnTlF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31617800
_cell_length_b 4.31617800
_cell_length_c 4.31617800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,147 | 38,318 | mp-21094 | -1.804597 | 1.2136 | InFeO3 | 0.047483 | ['Fe', 'In', 'O'] | # generated using pymatgen
data_InFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39754900
_cell_length_b 3.39754811
_cell_length_c 12.36035700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999898
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_InFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39754855
_cell_length_b 3.39754855
_cell_length_c 12.36035700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,148 | 1,109 | mp-1184364 | -0.022215 | 0 | Fe3Rh | 0 | ['Fe', 'Rh'] | # generated using pymatgen
data_Fe3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16633538
_cell_length_b 4.16633538
_cell_length_c 4.16633538
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | 225 | 225 | # generated using pymatgen
data_Fe3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89208800
_cell_length_b 5.89208800
_cell_length_c 5.89208800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... |
24,149 | 5,891 | mp-570803 | -1.471338 | 0.8378 | Ba2Ge(TeSe)2 | 0 | ['Ba', 'Ge', 'Se', 'Te'] | # generated using pymatgen
data_Ba2Ge(TeSe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28759700
_cell_length_b 7.56382500
_cell_length_c 9.49393005
_cell_angle_alpha 71.54456798
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 11 | 11 | # generated using pymatgen
data_Ba2Ge(TeSe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.56382500
_cell_length_b 7.28759700
_cell_length_c 9.49393005
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.45543202
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,150 | 32,209 | mp-1219100 | 0.004098 | 0 | SmErFe17 | 0.025005 | ['Er', 'Fe', 'Sm'] | # generated using pymatgen
data_SmErFe17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41787436
_cell_length_b 6.41787436
_cell_length_c 6.41787443
_cell_angle_alpha 82.95581465
_cell_angle_beta 82.95581465
_cell_angle_gamma 82.95580306
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 160 | 160 | # generated using pymatgen
data_SmErFe17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50151651
_cell_length_b 8.50151651
_cell_length_c 12.40462200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,151 | 11,724 | mp-1541531 | -3.200239 | 3.2218 | CaMnF6 | 0 | ['Ca', 'F', 'Mn'] | # generated using pymatgen
data_CaMnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72771763
_cell_length_b 5.72771763
_cell_length_c 5.72771687
_cell_angle_alpha 57.99304758
_cell_angle_beta 57.99304758
_cell_angle_gamma 57.99305518
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_CaMnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55309748
_cell_length_b 5.55309748
_cell_length_c 14.23903255
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,152 | 39,443 | mp-759558 | -2.52909 | 0 | Mn3(OF2)2 | 0.051736 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_Mn3(OF2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77722100
_cell_length_b 4.67312000
_cell_length_c 9.78709501
_cell_angle_alpha 89.99541239
_cell_angle_beta 90.00017176
_cell_angle_gamma 89.99974547
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 31 | 31 | # generated using pymatgen
data_Mn3(OF2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67312000
_cell_length_b 4.77722100
_cell_length_c 9.78709501
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,153 | 33,098 | mp-1185849 | -0.300797 | 0 | MgCo2Si | 0.02841 | ['Co', 'Mg', 'Si'] | # generated using pymatgen
data_MgCo2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03762922
_cell_length_b 4.03762922
_cell_length_c 4.03762922
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_MgCo2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71007000
_cell_length_b 5.71007000
_cell_length_c 5.71007000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,154 | 15,233 | mp-15856 | -0.505672 | 0 | DyRh3C | 0 | ['Dy', 'Rh', 'C'] | # generated using pymatgen
data_DyRh3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18294700
_cell_length_b 4.18294700
_cell_length_c 4.18294700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 221 | 221 | # generated using pymatgen
data_DyRh3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18294700
_cell_length_b 4.18294700
_cell_length_c 4.18294700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,155 | 30,072 | mp-1182046 | -0.499114 | 0 | Eu5Si3H | 0.018735 | ['Eu', 'H', 'Si'] | # generated using pymatgen
data_Eu5Si3H
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.05875639
_cell_length_b 9.05875639
_cell_length_c 9.05875639
_cell_angle_alpha 129.47639446
_cell_angle_beta 129.47639446
_cell_angle_gamma 74.24523314
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 140 | 140 | # generated using pymatgen
data_Eu5Si3H
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73174000
_cell_length_b 7.73174000
_cell_length_c 14.44592200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,156 | 4,484 | mp-978796 | -0.470956 | 0 | SmDyIn2 | 0 | ['Sm', 'Dy', 'In'] | # generated using pymatgen
data_SmDyIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37652884
_cell_length_b 5.37652884
_cell_length_c 5.37652884
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_SmDyIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.60356000
_cell_length_b 7.60356000
_cell_length_c 7.60356000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,157 | 44,535 | mp-1029327 | -0.544753 | 0.2193 | Te6MoW3S2 | 0.07652 | ['Mo', 'S', 'Te', 'W'] | # generated using pymatgen
data_Te6MoW3S2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45389764
_cell_length_b 3.45389764
_cell_length_c 39.35658400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999320
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 156 | 156 | # generated using pymatgen
data_Te6MoW3S2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45389764
_cell_length_b 3.45389764
_cell_length_c 39.35658400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,158 | 39,485 | mp-9810 | -0.50676 | 0 | TlFeSe2 | 0.0511 | ['Tl', 'Fe', 'Se'] | # generated using pymatgen
data_TlFeSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97611934
_cell_length_b 6.97611934
_cell_length_c 6.94504721
_cell_angle_alpha 63.91828562
_cell_angle_beta 63.91828562
_cell_angle_gamma 46.40107634
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_TlFeSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.82394401
_cell_length_b 5.49649200
_cell_length_c 6.94504721
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.57669433
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,159 | 10,072 | mp-1105453 | -2.701329 | 4.0524 | SbPbF7 | 0 | ['F', 'Pb', 'Sb'] | # generated using pymatgen
data_SbPbF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84269200
_cell_length_b 7.58165918
_cell_length_c 7.88374404
_cell_angle_alpha 106.18502164
_cell_angle_beta 102.14537244
_cell_angle_gamma 90.46266166
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_SbPbF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84269200
_cell_length_b 7.58165918
_cell_length_c 7.88374404
_cell_angle_alpha 106.18502164
_cell_angle_beta 102.14537244
_cell_angle_gamma 90.46266166
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,160 | 34,645 | mp-1186680 | -0.157512 | 0 | PmZnCu2 | 0.033246 | ['Cu', 'Pm', 'Zn'] | # generated using pymatgen
data_PmZnCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61483766
_cell_length_b 4.61483766
_cell_length_c 4.61483766
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_PmZnCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52636601
_cell_length_b 6.52636601
_cell_length_c 6.52636601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,161 | 22,437 | mp-754461 | -3.131408 | 1.5839 | V4OF11 | 0.002904 | ['F', 'O', 'V'] | # generated using pymatgen
data_V4OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25650000
_cell_length_b 5.44724788
_cell_length_c 7.61032915
_cell_angle_alpha 92.99600640
_cell_angle_beta 89.97987582
_cell_angle_gamma 90.63722218
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_V4OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25650000
_cell_length_b 5.44724788
_cell_length_c 7.61032915
_cell_angle_alpha 92.99600640
_cell_angle_beta 89.97987582
_cell_angle_gamma 90.63722218
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,162 | 28,203 | mp-1218951 | -0.723028 | 1.0245 | SnPbS2 | 0.013824 | ['Pb', 'S', 'Sn'] | # generated using pymatgen
data_SnPbS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09993600
_cell_length_b 4.42535100
_cell_length_c 11.70174300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 26 | 26 | # generated using pymatgen
data_SnPbS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09993600
_cell_length_b 4.42535100
_cell_length_c 11.70174300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,163 | 16,883 | mp-5408 | -0.969275 | 0 | Ag3AsO4 | 0 | ['Ag', 'As', 'O'] | # generated using pymatgen
data_Ag3AsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24688600
_cell_length_b 6.24688600
_cell_length_c 6.24688600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 218 | 218 | # generated using pymatgen
data_Ag3AsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24688600
_cell_length_b 6.24688600
_cell_length_c 6.24688600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,164 | 15,538 | mp-1079110 | -1.029571 | 0 | Hf3AlN | 0 | ['Al', 'Hf', 'N'] | # generated using pymatgen
data_Hf3AlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93885916
_cell_length_b 5.93885916
_cell_length_c 8.89805400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 147.53422769
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Hf3AlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32032400
_cell_length_b 11.40419401
_cell_length_c 8.89805400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,165 | 29,174 | mp-1215181 | -0.108437 | 0 | ZrTiCu | 0.016587 | ['Cu', 'Ti', 'Zr'] | # generated using pymatgen
data_ZrTiCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88422535
_cell_length_b 5.88422535
_cell_length_c 5.88422535
_cell_angle_alpha 149.52315052
_cell_angle_beta 149.52315052
_cell_angle_gamma 43.64181940
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 107 | 107 | # generated using pymatgen
data_ZrTiCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09317600
_cell_length_b 3.09317600
_cell_length_c 10.92524400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,166 | 13,327 | mp-3359 | -2.725246 | 2.4906 | Ba2SnO4 | 0 | ['Ba', 'Sn', 'O'] | # generated using pymatgen
data_Ba2SnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35421850
_cell_length_b 7.35421850
_cell_length_c 7.35421850
_cell_angle_alpha 146.62196183
_cell_angle_beta 146.62196183
_cell_angle_gamma 47.92385741
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_Ba2SnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22392400
_cell_length_b 4.22392400
_cell_length_c 13.44079801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,167 | 10,154 | mp-1212091 | -1.579717 | 0.2179 | HoAsSe | 0 | ['As', 'Ho', 'Se'] | # generated using pymatgen
data_HoAsSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90157500
_cell_length_b 3.91798600
_cell_length_c 17.45881700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_HoAsSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90157500
_cell_length_b 3.91798600
_cell_length_c 17.45881700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,168 | 21,983 | mp-978543 | -0.343336 | 0 | SmErTl2 | 0.002365 | ['Sm', 'Er', 'Tl'] | # generated using pymatgen
data_SmErTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39703211
_cell_length_b 5.39703211
_cell_length_c 5.39703211
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_SmErTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63255601
_cell_length_b 7.63255601
_cell_length_c 7.63255601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,169 | 45,054 | mp-1178387 | -0.501726 | 0 | Cu(AgO)2 | 0.079791 | ['Ag', 'Cu', 'O'] | # generated using pymatgen
data_Cu(AgO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70862740
_cell_length_b 5.70862740
_cell_length_c 5.70862740
_cell_angle_alpha 150.11294288
_cell_angle_beta 133.32913171
_cell_angle_gamma 56.41333852
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 71 | 71 | # generated using pymatgen
data_Cu(AgO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94413200
_cell_length_b 4.52252800
_cell_length_c 10.06143799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,170 | 7,620 | mp-1188098 | -0.293927 | 0 | CeZn3 | 0 | ['Ce', 'Zn'] | # generated using pymatgen
data_CeZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53656900
_cell_length_b 6.72616000
_cell_length_c 10.12228700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_CeZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53656900
_cell_length_b 6.72616000
_cell_length_c 10.12228700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,171 | 41,282 | mp-1247743 | -1.204399 | 0 | TiCrS4 | 0.060397 | ['Cr', 'S', 'Ti'] | # generated using pymatgen
data_TiCrS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83306718
_cell_length_b 6.83409370
_cell_length_c 6.85083001
_cell_angle_alpha 59.91485162
_cell_angle_beta 59.90909777
_cell_angle_gamma 60.36506688
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_TiCrS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85083001
_cell_length_b 6.87125334
_cell_length_c 9.62447914
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,172 | 34,941 | mp-768682 | -1.440944 | 0.9909 | Rb5FeO4 | 0.032674 | ['Fe', 'O', 'Rb'] | # generated using pymatgen
data_Rb5FeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16102800
_cell_length_b 7.37527200
_cell_length_c 8.76387200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 31 | 31 | # generated using pymatgen
data_Rb5FeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16102800
_cell_length_b 7.37527200
_cell_length_c 8.76387200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,173 | 14,991 | mp-985586 | -1.627393 | 2.3358 | Na3BrO | 0 | ['Na', 'Br', 'O'] | # generated using pymatgen
data_Na3BrO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60155200
_cell_length_b 4.60155200
_cell_length_c 4.60155200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 221 | 221 | # generated using pymatgen
data_Na3BrO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60155200
_cell_length_b 4.60155200
_cell_length_c 4.60155200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,174 | 41,429 | mp-759066 | -2.07051 | 0 | LiAgF3 | 0.059528 | ['Ag', 'F', 'Li'] | # generated using pymatgen
data_LiAgF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94080808
_cell_length_b 5.94080808
_cell_length_c 5.94080795
_cell_angle_alpha 54.79419600
_cell_angle_beta 54.79419600
_cell_angle_gamma 54.79420784
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 161 | 161 | # generated using pymatgen
data_LiAgF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46738342
_cell_length_b 5.46738342
_cell_length_c 15.09840929
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,175 | 3,550 | mp-1095684 | -0.652935 | 0 | SrInPd | 0 | ['In', 'Pd', 'Sr'] | # generated using pymatgen
data_SrInPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56081400
_cell_length_b 7.72844600
_cell_length_c 8.67842000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_SrInPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56081400
_cell_length_b 7.72844600
_cell_length_c 8.67842000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,176 | 10,424 | mp-7361 | -0.42725 | 0 | Sr(CoGe)2 | 0 | ['Sr', 'Co', 'Ge'] | # generated using pymatgen
data_Sr(CoGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18842841
_cell_length_b 6.18842841
_cell_length_c 6.18842841
_cell_angle_alpha 141.96240077
_cell_angle_beta 141.96240077
_cell_angle_gamma 54.88544036
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Sr(CoGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03335000
_cell_length_b 4.03335000
_cell_length_c 10.98411400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,177 | 44,092 | mp-1112032 | -0.897198 | 0 | K2HgAsI6 | 0.073315 | ['As', 'Hg', 'I', 'K'] | # generated using pymatgen
data_K2HgAsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.46142783
_cell_length_b 8.46142783
_cell_length_c 8.46142783
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_K2HgAsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.96626599
_cell_length_b 11.96626599
_cell_length_c 11.96626599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,178 | 3,062 | mp-1103093 | -0.363439 | 0 | FeBW | 0 | ['B', 'Fe', 'W'] | # generated using pymatgen
data_FeBW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78353200
_cell_length_b 3.21641000
_cell_length_c 6.74041200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe... | 62 | 62 | # generated using pymatgen
data_FeBW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21641000
_cell_length_b 5.78353200
_cell_length_c 6.74041200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe... |
24,179 | 5,282 | mp-21116 | -0.57656 | 0 | CeCoGe3 | 0 | ['Ce', 'Co', 'Ge'] | # generated using pymatgen
data_CeCoGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76770285
_cell_length_b 5.76770285
_cell_length_c 5.76770285
_cell_angle_alpha 136.12216784
_cell_angle_beta 136.12216784
_cell_angle_gamma 63.79151830
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 107 | 107 | # generated using pymatgen
data_CeCoGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30983400
_cell_length_b 4.30983400
_cell_length_c 9.79368401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,180 | 17,414 | mp-753571 | -2.970485 | 3.0732 | LiVF6 | 0 | ['F', 'Li', 'V'] | # generated using pymatgen
data_LiVF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47106053
_cell_length_b 5.47106053
_cell_length_c 5.47106053
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 225 | 225 | # generated using pymatgen
data_LiVF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73724800
_cell_length_b 7.73724800
_cell_length_c 7.73724800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
24,181 | 42,980 | mp-989518 | -1.213847 | 0 | Rb2SBrCl6 | 0.067874 | ['Rb', 'S', 'Br', 'Cl'] | # generated using pymatgen
data_Rb2SBrCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54836065
_cell_length_b 7.54836065
_cell_length_c 7.54836065
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 225 | 225 | # generated using pymatgen
data_Rb2SBrCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.67499400
_cell_length_b 10.67499400
_cell_length_c 10.67499400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,182 | 8,989 | mp-977401 | -0.491331 | 0 | NbGaRu2 | 0 | ['Nb', 'Ga', 'Ru'] | # generated using pymatgen
data_NbGaRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39616205
_cell_length_b 4.39616205
_cell_length_c 4.39616205
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_NbGaRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.21711199
_cell_length_b 6.21711199
_cell_length_c 6.21711199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,183 | 7,077 | mp-1105849 | -0.409114 | 0 | La2Zn5Pb | 0 | ['La', 'Pb', 'Zn'] | # generated using pymatgen
data_La2Zn5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59092700
_cell_length_b 8.80228551
_cell_length_c 9.25414400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 105.11637647
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_La2Zn5Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59092700
_cell_length_b 16.99542000
_cell_length_c 9.25414400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,184 | 37,148 | mp-1188042 | -0.042168 | 0 | ZrHg3 | 0.042682 | ['Hg', 'Zr'] | # generated using pymatgen
data_ZrHg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45442970
_cell_length_b 6.45442970
_cell_length_c 4.88033400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999692
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_ZrHg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45442970
_cell_length_b 6.45442970
_cell_length_c 4.88033400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,185 | 20,599 | mp-1185209 | -0.267317 | 0 | Li2ZnSi | 0.000378 | ['Li', 'Si', 'Zn'] | # generated using pymatgen
data_Li2ZnSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22849021
_cell_length_b 4.22849021
_cell_length_c 8.19196000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000326
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Li2ZnSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22849021
_cell_length_b 4.22849021
_cell_length_c 8.19196000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,186 | 39,178 | mp-1217019 | -1.447729 | 0 | U2TeSeS2 | 0.049694 | ['S', 'Se', 'Te', 'U'] | # generated using pymatgen
data_U2TeSeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80534200
_cell_length_b 6.77791300
_cell_length_c 11.09880400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 26 | 26 | # generated using pymatgen
data_U2TeSeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80534200
_cell_length_b 6.77791300
_cell_length_c 11.09880400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,187 | 9,207 | mp-13545 | -2.77312 | 0 | BaIrF6 | 0 | ['Ba', 'Ir', 'F'] | # generated using pymatgen
data_BaIrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03696074
_cell_length_b 5.03696074
_cell_length_c 5.03696104
_cell_angle_alpha 98.18718182
_cell_angle_beta 98.18718182
_cell_angle_gamma 98.18717057
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_BaIrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61367044
_cell_length_b 7.61367044
_cell_length_c 7.37799643
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,188 | 43,570 | mp-1111230 | -2.061266 | 4.0149 | K2NaPrBr6 | 0.07279 | ['Br', 'K', 'Na', 'Pr'] | # generated using pymatgen
data_K2NaPrBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18364659
_cell_length_b 8.18364659
_cell_length_c 8.18364659
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 225 | 225 | # generated using pymatgen
data_K2NaPrBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.57342400
_cell_length_b 11.57342400
_cell_length_c 11.57342400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,189 | 11,139 | mp-1206054 | -0.598194 | 0 | Er6FeSb2 | 0 | ['Er', 'Fe', 'Sb'] | # generated using pymatgen
data_Er6FeSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.14593419
_cell_length_b 8.14593419
_cell_length_c 4.10814900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000154
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 189 | 189 | # generated using pymatgen
data_Er6FeSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.14593419
_cell_length_b 8.14593419
_cell_length_c 4.10814900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,190 | 22,725 | mp-1224983 | -0.524103 | 0 | FeCoSi2 | 0.004089 | ['Co', 'Fe', 'Si'] | # generated using pymatgen
data_FeCoSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43821300
_cell_length_b 4.44443200
_cell_length_c 4.45181240
_cell_angle_alpha 89.85943138
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 4 | 4 | # generated using pymatgen
data_FeCoSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44443200
_cell_length_b 4.43821300
_cell_length_c 4.45181240
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.14056862
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,191 | 8,115 | mp-1189855 | -0.363088 | 0 | Ce(As3Os)4 | 0 | ['As', 'Ce', 'Os'] | # generated using pymatgen
data_Ce(As3Os)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46988307
_cell_length_b 7.46988307
_cell_length_c 7.46988307
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 204 | 204 | # generated using pymatgen
data_Ce(As3Os)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62547800
_cell_length_b 8.62547800
_cell_length_c 8.62547800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,192 | 23,360 | mp-46 | 0.004435 | 0 | Ti | 0.004435 | ['Ti'] | # generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.93381361
_cell_length_b 2.93381361
_cell_length_c 4.65700900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999113
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti
... | 194 | 194 | # generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.93381361
_cell_length_b 2.93381361
_cell_length_c 4.65700900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti
... |
24,193 | 23,129 | mp-1189755 | -0.700101 | 0 | Nd5CuBi3 | 0.0048 | ['Bi', 'Cu', 'Nd'] | # generated using pymatgen
data_Nd5CuBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.61556923
_cell_length_b 9.61556923
_cell_length_c 6.59580700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999469
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 193 | 193 | # generated using pymatgen
data_Nd5CuBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.61556923
_cell_length_b 9.61556923
_cell_length_c 6.59580700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,194 | 43,065 | mp-1111179 | -1.617524 | 3.5463 | K3BiBr6 | 0.06856 | ['Bi', 'Br', 'K'] | # generated using pymatgen
data_K3BiBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.47352643
_cell_length_b 8.47352643
_cell_length_c 8.47352643
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_K3BiBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.98337600
_cell_length_b 11.98337600
_cell_length_c 11.98337600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,195 | 11,998 | mp-998427 | -1.920464 | 0.3737 | BaZrSe3 | 0 | ['Ba', 'Se', 'Zr'] | # generated using pymatgen
data_BaZrSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07531900
_cell_length_b 9.18048300
_cell_length_c 15.17879800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_BaZrSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07531900
_cell_length_b 9.18048300
_cell_length_c 15.17879800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,196 | 22,957 | mp-865524 | -0.8099 | 0 | YCdPt2 | 0.003422 | ['Y', 'Cd', 'Pt'] | # generated using pymatgen
data_YCdPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81319666
_cell_length_b 4.81319666
_cell_length_c 4.81319666
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_YCdPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80688799
_cell_length_b 6.80688799
_cell_length_c 6.80688799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,197 | 29,434 | mp-756351 | -2.003872 | 0 | Li3Mn4NiO8 | 0.016556 | ['Li', 'Mn', 'Ni', 'O'] | # generated using pymatgen
data_Li3Mn4NiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98152708
_cell_length_b 5.98152708
_cell_length_c 6.07686423
_cell_angle_alpha 59.69960442
_cell_angle_beta 59.69960442
_cell_angle_gamma 61.00521477
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Li3Mn4NiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.30743999
_cell_length_b 6.07217800
_cell_length_c 6.07686423
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.84350787
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,198 | 19,123 | mp-1188434 | -0.352391 | 0 | Y5Tl3 | 0 | ['Tl', 'Y'] | # generated using pymatgen
data_Y5Tl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.02102404
_cell_length_b 9.02102404
_cell_length_c 6.75427000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000030
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_Y5Tl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.02102404
_cell_length_b 9.02102404
_cell_length_c 6.75427000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,199 | 33,567 | mp-1113295 | -1.045521 | 0 | Cs2HgSbI6 | 0.029092 | ['Cs', 'Hg', 'I', 'Sb'] | # generated using pymatgen
data_Cs2HgSbI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.75607357
_cell_length_b 8.75607357
_cell_length_c 8.75607357
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 225 | 225 | # generated using pymatgen
data_Cs2HgSbI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.38295800
_cell_length_b 12.38295800
_cell_length_c 12.38295800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
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