action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
AddAtomAction | 16c23ae0-e1f4-472d-8f77-b18211d418b6 | mp-1246724 | Add one Hf atom at the Cartesian coordinate [1.686 4.885 1.56 ] to the cif file. | data_image0
_chemical_formula_structural K12W2N8
_chemical_formula_sum "K12 W2 N8"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural K12W2N8Hf
_chemical_formula_sum "K12 W2 N8 Hf1"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
AddAtomAction | a26cd482-8968-4930-8f66-b028686c50b2 | mp-1207481 | Add one Cn atom at the Cartesian coordinate [-1.488 2.839 5.37 ] to the cif file. | data_image0
_chemical_formula_structural Zn3SbAs2Pb3O14
_chemical_formula_sum "Zn3 Sb1 As2 Pb3 O14"
_cell_length_a 8.67683789
_cell_length_b 8.67683789
_cell_length_c 5.38009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999912
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn3SbAs2Pb3O14Cn
_chemical_formula_sum "Zn3 Sb1 As2 Pb3 O14 Cn1"
_cell_length_a 8.67683789
_cell_length_b 8.67683789
_cell_length_c 5.38009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999912
_space_group_na... |
AddAtomAction | 83ef1b1d-f00d-4895-b83a-682a51617160 | mp-554704 | Add one Ir atom at the Cartesian coordinate [0.896 3.158 0.752] to the cif file. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti4P4H4O20Ir
_chemical_formula_sum "Ti4 P4 H4 O20 Ir1"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | a5c37412-ecc5-4adf-be4e-4a3d0d86934a | mp-774789 | Add one K atom at the Cartesian coordinate [7.363 5.231 0.741] to the cif file. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32K
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32 K1"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.9... |
AddAtomAction | 90ebbaae-d841-42d7-bbfe-a8d13860c116 | mp-1223525 | Add one Lv atom at the Cartesian coordinate [10.899 0.312 1.179] to the cif file. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu4O16Lv
_chemical_formula_sum "K1 La7 Cu4 O16 Lv1"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5... |
AddAtomAction | 31162a7c-4c92-4c69-a1d4-1b936c9b9ef1 | mp-1211239 | Add one S atom at the Cartesian coordinate [8.811 3.921 0.107] to the cif file. | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... | data_image0
_chemical_formula_structural Nd4S6O40S
_chemical_formula_sum "Nd4 S7 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group... |
AddAtomAction | c41d1c5e-4b68-470a-8f1e-c47c7afa1c24 | mp-995217 | Add one Sc atom at the Cartesian coordinate [3.719 4.793 0.621] to the cif file. | data_image0
_chemical_formula_structural H8C12
_chemical_formula_sum "H8 C12"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural H8C12Sc
_chemical_formula_sum "H8 C12 Sc1"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_nam... |
AddAtomAction | 8036fbed-95c4-4df9-9069-016c597de625 | mp-24123 | Add one Ho atom at the Cartesian coordinate [8.555 4.721 2.603] to the cif file. | data_image0
_chemical_formula_structural Rb2B12H12
_chemical_formula_sum "Rb2 B12 H12"
_cell_length_a 7.69311963
_cell_length_b 7.69311963
_cell_length_c 7.69311963
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Rb2B12H12Ho
_chemical_formula_sum "Rb2 B12 H12 Ho1"
_cell_length_a 7.69311963
_cell_length_b 7.69311963
_cell_length_c 7.69311963
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
AddAtomAction | 49a772d1-abdc-4cb3-b881-458cac668183 | mp-849460 | Add one In atom at the Cartesian coordinate [1.098 3.847 1.203] to the cif file. | data_image0
_chemical_formula_structural Mn8O4F12
_chemical_formula_sum "Mn8 O4 F12"
_cell_length_a 4.769088
_cell_length_b 5.7096
_cell_length_c 11.04172549
_cell_angle_alpha 82.82142872999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn8O4F12In
_chemical_formula_sum "Mn8 O4 F12 In1"
_cell_length_a 4.769088
_cell_length_b 5.7096
_cell_length_c 11.04172549
_cell_angle_alpha 82.82142872999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 62fe53c6-4955-4e76-9808-689fdcc12576 | mp-1219829 | Add one Ce atom at the Cartesian coordinate [9.769 8.393 1.8 ] to the cif file. | data_image0
_chemical_formula_structural Re2S16N2O4
_chemical_formula_sum "Re2 S16 N2 O4"
_cell_length_a 7.860381
_cell_length_b 8.74623012
_cell_length_c 10.20727706
_cell_angle_alpha 83.87596624
_cell_angle_beta 77.61601136000002
_cell_angle_gamma 78.20883059
_space_gro... | data_image0
_chemical_formula_structural Re2S16N2O4Ce
_chemical_formula_sum "Re2 S16 N2 O4 Ce1"
_cell_length_a 7.860381
_cell_length_b 8.74623012
_cell_length_c 10.20727706
_cell_angle_alpha 83.87596624
_cell_angle_beta 77.61601136000002
_cell_angle_gamma 78.20883059
_spa... |
AddAtomAction | 2242eb14-4eb3-4556-8728-326f1821994f | mp-504385 | Add one Rf atom at the Cartesian coordinate [0.967 7.622 6.058] to the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48Rf
_chemical_formula_sum "Li12 Fe8 P12 O48 Rf1"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | 58cd6652-f8de-40bc-b850-fa2bae2147d6 | mp-726253 | Add one Xe atom at the Cartesian coordinate [3.899 2.813 0.416] to the cif file. | data_image0
_chemical_formula_structural RbLi3S2O9
_chemical_formula_sum "Rb1 Li3 S2 O9"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_gr... | data_image0
_chemical_formula_structural RbLi3S2O9Xe
_chemical_formula_sum "Rb1 Li3 S2 O9 Xe1"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_sp... |
AddAtomAction | bf2e63ed-2012-4748-aaf7-c89864e4636d | mp-580525 | Add one Cs atom at the Cartesian coordinate [0.57 9.791 7.372] to the cif file. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Dy12Ni12Sn24Cs
_chemical_formula_sum "Dy12 Ni12 Sn24 Cs1"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | fcff3d2c-9ec1-430d-8697-f75db3f49b02 | mp-754649 | Add one Mn atom at the Cartesian coordinate [5.296 2.435 1.508] to the cif file. | data_image0
_chemical_formula_structural Mn2C2S2O14
_chemical_formula_sum "Mn2 C2 S2 O14"
_cell_length_a 6.220934
_cell_length_b 5.141389
_cell_length_c 8.71139767
_cell_angle_alpha 86.514774
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2C2S2O14Mn
_chemical_formula_sum "Mn3 C2 S2 O14"
_cell_length_a 6.220934
_cell_length_b 5.141389
_cell_length_c 8.71139767
_cell_angle_alpha 86.514774
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 58e3ef79-31cd-4181-8713-72365434f911 | mp-17691 | Add one Md atom at the Cartesian coordinate [5.645 1.467 6.789] to the cif file. | data_image0
_chemical_formula_structural Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Cu12Sb4S12Md
_chemical_formula_sum "Cu12 Sb4 S12 Md1"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 7eaea0dd-cbc9-4150-bce5-7d59a28b8575 | mp-1023480 | Add one Se atom at the Cartesian coordinate [0.652 1.869 6.232] to the cif file. | data_image0
_chemical_formula_structural Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Mg12Al2Ni2Se
_chemical_formula_sum "Mg12 Al2 Ni2 Se1"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | 99c73b7e-c349-400a-9237-63b17eb269a8 | mp-1205559 | Add one Tm atom at the Cartesian coordinate [-4.26 2.413 1.132] to the cif file. | data_image0
_chemical_formula_structural Yb2In2Br6
_chemical_formula_sum "Yb2 In2 Br6"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Yb2In2Br6Tm
_chemical_formula_sum "Yb2 In2 Br6 Tm1"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_al... |
AddAtomAction | 7df2bf1d-d785-43d6-83f5-b6d0d20cd58b | mp-1227411 | Add one Mn atom at the Cartesian coordinate [2.977 4.903 2.355] to the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12Mn
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12 Mn1"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966... |
AddAtomAction | fe5bfa7e-ce42-4933-a05c-b000a93386d5 | mp-1233510 | Add one Br atom at the Cartesian coordinate [0.204 5.234 5.786] to the cif file. | data_image0
_chemical_formula_structural MgAg20Bi4O16
_chemical_formula_sum "Mg1 Ag20 Bi4 O16"
_cell_length_a 5.97614794
_cell_length_b 9.14592543
_cell_length_c 13.74615363
_cell_angle_alpha 93.61089738999999
_cell_angle_beta 94.2991175
_cell_angle_gamma 89.04968398
_spa... | data_image0
_chemical_formula_structural MgAg20Bi4O16Br
_chemical_formula_sum "Mg1 Ag20 Bi4 O16 Br1"
_cell_length_a 5.97614794
_cell_length_b 9.14592543
_cell_length_c 13.74615363
_cell_angle_alpha 93.61089738999999
_cell_angle_beta 94.2991175
_cell_angle_gamma 89.04968398... |
AddAtomAction | 2a51a333-6850-45ea-8449-f3f976b6c314 | mp-1190647 | Add one Te atom at the Cartesian coordinate [0.009 2.863 8. ] to the cif file. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge6F16Te
_chemical_formula_sum "Ge6 F16 Te1"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 995a153b-7f52-45d3-b297-83202345091d | mp-777888 | Add one Se atom at the Cartesian coordinate [1.068 1.074 2.078] to the cif file. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_group_n... | data_image0
_chemical_formula_structural Li4Fe4F12Se
_chemical_formula_sum "Li4 Fe4 F12 Se1"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_g... |
AddAtomAction | ed3ac88f-1dd6-4c1d-bfed-3c08a43e0073 | mp-12241 | Add one Er atom at the Cartesian coordinate [4.893 0.415 2.027] to the cif file. | data_image0
_chemical_formula_structural Ca22Sb20
_chemical_formula_sum "Ca22 Sb20"
_cell_length_a 12.0175782
_cell_length_b 12.017578059999998
_cell_length_c 12.10675775
_cell_angle_alpha 119.75662422
_cell_angle_beta 119.75662842000001
_cell_angle_gamma 90.00000316000002... | data_image0
_chemical_formula_structural Ca22Sb20Er
_chemical_formula_sum "Ca22 Sb20 Er1"
_cell_length_a 12.0175782
_cell_length_b 12.017578059999998
_cell_length_c 12.10675775
_cell_angle_alpha 119.75662422
_cell_angle_beta 119.75662842000001
_cell_angle_gamma 90.00000316... |
AddAtomAction | 38490ef9-b14d-454e-8d73-7d12fc6a9db7 | mp-1247135 | Add one Np atom at the Cartesian coordinate [1.119 6.46 8.648] to the cif file. | data_image0
_chemical_formula_structural Si14Ge2N20
_chemical_formula_sum "Si14 Ge2 N20"
_cell_length_a 6.9613158
_cell_length_b 6.750121
_cell_length_c 9.777887800000002
_cell_angle_alpha 90.0
_cell_angle_beta 106.51030843999999
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Si14Ge2N20Np
_chemical_formula_sum "Si14 Ge2 N20 Np1"
_cell_length_a 6.9613158
_cell_length_b 6.750121
_cell_length_c 9.777887800000002
_cell_angle_alpha 90.0
_cell_angle_beta 106.51030843999999
_cell_angle_gamma 90.0
_space_group_... |
AddAtomAction | 9025631a-023f-4dca-a919-1fedb5498661 | mp-1179664 | Add one Se atom at the Cartesian coordinate [3.02 0.434 8.421] to the cif file. | data_image0
_chemical_formula_structural V8Hg8O28
_chemical_formula_sum "V8 Hg8 O28"
_cell_length_a 3.457299
_cell_length_b 19.266052
_cell_length_c 12.002204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural V8Hg8O28Se
_chemical_formula_sum "V8 Hg8 O28 Se1"
_cell_length_a 3.457299
_cell_length_b 19.266052
_cell_length_c 12.002204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | 542625a6-400d-4e99-b3f4-ad8b8e8ac583 | mp-1095216 | Add one Eu atom at the Cartesian coordinate [-0.308 0.2 2.537] to the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8Eu
_chemical_formula_sum "Nd2 As2 O8 Eu1"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928... |
AddAtomAction | 79cfaef7-e191-4950-8236-98cfcbe5d7a7 | mp-1225453 | Add one Au atom at the Cartesian coordinate [-1.308 9.982 1.266] to the cif file. | data_image0
_chemical_formula_structural Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er14Ag51Au
_chemical_formula_sum "Er14 Ag51 Au1"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt... |
AddAtomAction | df17859b-5d6b-4293-a9e8-d51c7d74e696 | mp-1217519 | Add one Ds atom at the Cartesian coordinate [3.067 1.957 0.349] to the cif file. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16Ds
_chemical_formula_sum "Th2 V4 Pb2 O16 Ds1"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_... |
AddAtomAction | 3556423e-24da-4f06-a93a-0e22e50c3be5 | mp-1039565 | Add one Ru atom at the Cartesian coordinate [ 5.016 2.884 13.075] to the cif file. | data_image0
_chemical_formula_structural Ce2Mg10
_chemical_formula_sum "Ce2 Mg10"
_cell_length_a 5.24575518
_cell_length_b 3.09210841
_cell_length_c 17.95839835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Ce2Mg10Ru
_chemical_formula_sum "Ce2 Mg10 Ru1"
_cell_length_a 5.24575518
_cell_length_b 3.09210841
_cell_length_c 17.95839835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | a4ac0dcb-bc60-4ea2-96b7-4a1b5f7cf748 | mp-627601 | Add one Nb atom at the Cartesian coordinate [5.613 4.364 2.91 ] to the cif file. | data_image0
_chemical_formula_structural Ag4Sb4S8
_chemical_formula_sum "Ag4 Sb4 S8"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_name_H... | data_image0
_chemical_formula_structural Ag4Sb4S8Nb
_chemical_formula_sum "Ag4 Sb4 S8 Nb1"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_... |
AddAtomAction | 17ca3414-1bc7-4f78-b3b4-bc32b687a340 | mp-559593 | Add one Sc atom at the Cartesian coordinate [-6.295 -1.009 5.063] to the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6Sc
_chemical_formula_sum "P3 S9 N15 F6 Sc1"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470... |
AddAtomAction | 54735bc0-98b6-4594-b08c-4304dcc83ab8 | mp-1576333 | Add one Mn atom at the Cartesian coordinate [4.676 1.374 6.204] to the cif file. | data_image0
_chemical_formula_structural Mn2Al2W4O16
_chemical_formula_sum "Mn2 Al2 W4 O16"
_cell_length_a 5.12278566
_cell_length_b 5.674278
_cell_length_c 9.27022947
_cell_angle_alpha 90.00001642999999
_cell_angle_beta 91.56680175999999
_cell_angle_gamma 90.0000422000000... | data_image0
_chemical_formula_structural Mn2Al2W4O16Mn
_chemical_formula_sum "Mn3 Al2 W4 O16"
_cell_length_a 5.12278566
_cell_length_b 5.674278
_cell_length_c 9.27022947
_cell_angle_alpha 90.00001642999999
_cell_angle_beta 91.56680175999999
_cell_angle_gamma 90.00004220000... |
AddAtomAction | 2db032c4-8e38-4806-9e6c-2e742a4d0874 | mp-1190028 | Add one Cm atom at the Cartesian coordinate [6.963 2.071 1.548] to the cif file. | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Tm3Al9Ni6Cm
_chemical_formula_sum "Tm3 Al9 Ni6 Cm1"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H... |
AddAtomAction | e7f66621-57fc-4401-8fe2-db426c7aec4a | mp-1198979 | Add one Ts atom at the Cartesian coordinate [10.075 7.582 7.147] to the cif file. | data_image0
_chemical_formula_structural K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K6Na14MgTl18Ts
_chemical_formula_sum "K6 Na14 Mg1 Tl18 Ts1"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | dc7dddae-ed24-4b57-b572-eea4b3c81750 | mp-1272968 | Add one Sr atom at the Cartesian coordinate [0.737 1.091 5.29 ] to the cif file. | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... | data_image0
_chemical_formula_structural Na2V4O8Sr
_chemical_formula_sum "Na2 V4 O8 Sr1"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_... |
AddAtomAction | 1f6ecc6c-2224-42c0-bed4-6e5e8e29103f | mp-1191019 | Add one Zn atom at the Cartesian coordinate [6.309 5.076 0.87 ] to the cif file. | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Er2Mn12P7Zn
_chemical_formula_sum "Er2 Mn12 P7 Zn1"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt ... |
AddAtomAction | 312a9d6f-dcd4-4063-b907-01d2f5bf19f5 | mp-1216954 | Add one Os atom at the Cartesian coordinate [1.102 2.517 3.006] to the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6Os
_chemical_formula_sum "Tm6 Sc6 Ge6 Os1"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_spac... |
AddAtomAction | 38488112-fd89-4beb-a149-40f359e66941 | mp-1359492 | Add one K atom at the Cartesian coordinate [6.745 0.844 5.074] to the cif file. | data_image0
_chemical_formula_structural Ba4Zn2Cu2Bi4F28
_chemical_formula_sum "Ba4 Zn2 Cu2 Bi4 F28"
_cell_length_a 7.76955665
_cell_length_b 7.76955665
_cell_length_c 16.18337066
_cell_angle_alpha 89.94437581999999
_cell_angle_beta 89.94437581999999
_cell_angle_gamma 40.4... | data_image0
_chemical_formula_structural Ba4Zn2Cu2Bi4F28K
_chemical_formula_sum "Ba4 Zn2 Cu2 Bi4 F28 K1"
_cell_length_a 7.76955665
_cell_length_b 7.76955665
_cell_length_c 16.18337066
_cell_angle_alpha 89.94437581999999
_cell_angle_beta 89.94437581999999
_cell_angle_gamma ... |
AddAtomAction | 022ad24b-fdf3-43b2-a4e5-2f1172e7c426 | mp-1209592 | Add one Ba atom at the Cartesian coordinate [4.207 5.112 3.072] to the cif file. | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural P8O24Ba
_chemical_formula_sum "P8 O24 Ba1"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 2d6c8907-7d0c-4206-969b-47c04bf3b819 | mp-1303460 | Add one C atom at the Cartesian coordinate [-0.33 7.244 0.578] to the cif file. | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... | data_image0
_chemical_formula_structural Li4Co4C8O24C
_chemical_formula_sum "Li4 Co4 C9 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.2068367... |
AddAtomAction | 94c6d404-8f20-4663-b39a-8de06dc202cc | mp-26941 | Add one Bk atom at the Cartesian coordinate [1.011 1.903 2.878] to the cif file. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li4Mn4P4O16Bk
_chemical_formula_sum "Li4 Mn4 P4 O16 Bk1"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_s... |
AddAtomAction | ff81fd7c-d2f6-4f44-b032-71310dd20c01 | mp-1200198 | Add one Cm atom at the Cartesian coordinate [5.168 2.352 4.166] to the cif file. | data_image0
_chemical_formula_structural Cd8Cu8P8S4O68
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Cd8Cu8P8S4O68Cm
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68 Cm1"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 8610b084-246d-4e98-8317-0cf0bea4214d | mp-1193000 | Add one Np atom at the Cartesian coordinate [10.044 7.586 4.488] to the cif file. | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... | data_image0
_chemical_formula_structural NiC4S4N2O12Np
_chemical_formula_sum "Ni1 C4 S4 N2 O12 Np1"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.768708209... |
AddAtomAction | 850fd475-1f4f-4536-9e89-a893d739b564 | mp-1212287 | Add one S atom at the Cartesian coordinate [-1.304 2.444 9.092] to the cif file. | data_image0
_chemical_formula_structural Ho6B14Mo2
_chemical_formula_sum "Ho6 B14 Mo2"
_cell_length_a 8.14948756
_cell_length_b 8.14948756
_cell_length_c 9.454235
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.46716801999997
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6B14Mo2S
_chemical_formula_sum "Ho6 B14 Mo2 S1"
_cell_length_a 8.14948756
_cell_length_b 8.14948756
_cell_length_c 9.454235
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.46716801999997
_space_group_name_H-M_a... |
AddAtomAction | 401d090c-54ff-46f1-8cae-7a9eb435ac1e | mp-764994 | Add one Br atom at the Cartesian coordinate [3.877 3.306 4.127] to the cif file. | data_image0
_chemical_formula_structural Li6V6P16O58
_chemical_formula_sum "Li6 V6 P16 O58"
_cell_length_a 9.732393
_cell_length_b 9.765990269999998
_cell_length_c 14.37332939
_cell_angle_alpha 90.70755737
_cell_angle_beta 89.68670657
_cell_angle_gamma 119.85956181
_space... | data_image0
_chemical_formula_structural Li6V6P16O58Br
_chemical_formula_sum "Li6 V6 P16 O58 Br1"
_cell_length_a 9.732393
_cell_length_b 9.765990269999998
_cell_length_c 14.37332939
_cell_angle_alpha 90.70755737
_cell_angle_beta 89.68670657
_cell_angle_gamma 119.85956181
... |
AddAtomAction | a15ca64e-88ea-41a3-86d2-cfa43aac6386 | mp-1227202 | Add one Fe atom at the Cartesian coordinate [-0.772 -0.277 9.272] to the cif file. | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... | data_image0
_chemical_formula_structural CaAl4Si8O24Fe
_chemical_formula_sum "Ca1 Al4 Si8 O24 Fe1"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090... |
AddAtomAction | 20a7782d-9ac2-48ce-854c-49fa83994cd4 | mp-1100889 | Add one Cd atom at the Cartesian coordinate [ 2.979 0.48 24.578] to the cif file. | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Y6B6O14Cd
_chemical_formula_sum "Y6 B6 O14 Cd1"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_al... |
AddAtomAction | 3c650cc4-bef3-484c-b8b5-281512208bb1 | mp-680133 | Add one Ac atom at the Cartesian coordinate [-0.631 2.053 36.07 ] to the cif file. | data_image0
_chemical_formula_structural Cd17I34
_chemical_formula_sum "Cd17 I34"
_cell_length_a 4.33968349
_cell_length_b 4.33968349
_cell_length_c 125.10129
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999222999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd17I34Ac
_chemical_formula_sum "Cd17 I34 Ac1"
_cell_length_a 4.33968349
_cell_length_b 4.33968349
_cell_length_c 125.10129
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999222999999
_space_group_name_H-M_alt... |
AddAtomAction | fbdeb1a1-2574-45d6-b4fd-f44520fb9f1f | mp-769928 | Add one U atom at the Cartesian coordinate [18.974 6.236 0.526] to the cif file. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8U
_chemical_formula_sum "Li4 Nb1 V3 O8 U1"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.04452... |
AddAtomAction | 5931d5f9-251a-41c3-aa8c-afe631aa57e5 | mp-1520816 | Add one Lu atom at the Cartesian coordinate [2.24 8.297 5.769] to the cif file. | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24Lu
_chemical_formula_sum "Ba4 Eu4 Zr8 O24 Lu1"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 5e28863e-8974-44cf-94b4-d81b5a7d680e | mp-760314 | Add one He atom at the Cartesian coordinate [ 3.991 0.461 10.338] to the cif file. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O5F19He
_chemical_formula_sum "V6 O5 F19 He1"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_spa... |
AddAtomAction | 477a17cd-9f24-4b6b-8f3b-63d63352f2c7 | mp-1192907 | Add one Ru atom at the Cartesian coordinate [0.122 4.909 1.736] to the cif file. | data_image0
_chemical_formula_structural Cr6P4O16
_chemical_formula_sum "Cr6 P4 O16"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cr6P4O16Ru
_chemical_formula_sum "Cr6 P4 O16 Ru1"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_nam... |
AddAtomAction | 0592e220-fe5c-4393-8ece-1b65a2543ebd | mp-753993 | Add one Ge atom at the Cartesian coordinate [3.032 4.031 5.597] to the cif file. | data_image0
_chemical_formula_structural Nb4V4O20
_chemical_formula_sum "Nb4 V4 O20"
_cell_length_a 5.5994912
_cell_length_b 7.03718861
_cell_length_c 11.99087588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Nb4V4O20Ge
_chemical_formula_sum "Nb4 V4 O20 Ge1"
_cell_length_a 5.5994912
_cell_length_b 7.03718861
_cell_length_c 11.99087588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | a6aba190-b2ac-4eb8-bdf5-c065c48d4d6b | mp-1386638 | Add one W atom at the Cartesian coordinate [-1.847 4.481 6.566] to the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16W
_chemical_formula_sum "Na5 Cu3 P4 O16 W1"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_sp... |
AddAtomAction | d16cafdb-d64a-4aba-8be6-fe6342aaeb2d | mp-705636 | Add one Ra atom at the Cartesian coordinate [8.487 6.334 7.681] to the cif file. | data_image0
_chemical_formula_structural Li6Mn20O40
_chemical_formula_sum "Li6 Mn20 O40"
_cell_length_a 5.89207024
_cell_length_b 5.858170179999999
_cell_length_c 29.77496903
_cell_angle_alpha 60.53641309999999
_cell_angle_beta 60.084772949999994
_cell_angle_gamma 60.19014... | data_image0
_chemical_formula_structural Li6Mn20O40Ra
_chemical_formula_sum "Li6 Mn20 O40 Ra1"
_cell_length_a 5.89207024
_cell_length_b 5.858170179999999
_cell_length_c 29.77496903
_cell_angle_alpha 60.53641309999999
_cell_angle_beta 60.084772949999994
_cell_angle_gamma 60... |
AddAtomAction | a22b99a3-836e-47c5-a0a5-9ed5665da4f9 | mp-1197433 | Add one Cn atom at the Cartesian coordinate [ 1.135 0.553 22.437] to the cif file. | data_image0
_chemical_formula_structural Sm10Co38
_chemical_formula_sum "Sm10 Co38"
_cell_length_a 4.990224
_cell_length_b 4.990223349999999
_cell_length_c 31.911024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000432999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sm10Co38Cn
_chemical_formula_sum "Sm10 Co38 Cn1"
_cell_length_a 4.990224
_cell_length_b 4.990223349999999
_cell_length_c 31.911024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000432999998
_space_group_name_... |
AddAtomAction | a705c32b-41e3-4350-996e-4351e3c5f54e | mp-1209821 | Add one P atom at the Cartesian coordinate [ 1.837 -0.037 3.578] to the cif file. | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... | data_image0
_chemical_formula_structural Np4Ge4O8P
_chemical_formula_sum "Np4 Ge4 O8 P1"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_n... |
AddAtomAction | fc2d13cf-f618-4047-b7f4-14d0a40d0bef | mp-766138 | Add one Mn atom at the Cartesian coordinate [3.606 5.766 3.039] to the cif file. | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li6Fe4P4O20Mn
_chemical_formula_sum "Li6 Fe4 P4 O20 Mn1"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name... |
AddAtomAction | 9ca291ff-64e4-492e-9aaa-a0a0fb7dd344 | mp-1194470 | Add one Yb atom at the Cartesian coordinate [14.033 4.92 6.217] to the cif file. | data_image0
_chemical_formula_structural Hf6Al16Pt7
_chemical_formula_sum "Hf6 Al16 Pt7"
_cell_length_a 8.69292695
_cell_length_b 8.69292713
_cell_length_c 8.6929265
_cell_angle_alpha 60.00003086
_cell_angle_beta 60.00002578
_cell_angle_gamma 60.00003065
_space_group_name... | data_image0
_chemical_formula_structural Hf6Al16Pt7Yb
_chemical_formula_sum "Hf6 Al16 Pt7 Yb1"
_cell_length_a 8.69292695
_cell_length_b 8.69292713
_cell_length_c 8.6929265
_cell_angle_alpha 60.00003086
_cell_angle_beta 60.00002578
_cell_angle_gamma 60.00003065
_space_grou... |
AddAtomAction | 0732d834-7b8f-4a91-8ef3-73e0184628fa | mp-2526683 | Add one Ag atom at the Cartesian coordinate [2.681 0.921 2.386] to the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21Ag
_chemical_formula_sum "W7 O21 Ag1"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_gr... |
AddAtomAction | ddf999c9-1bd0-4f0f-8add-35dd4dd86fab | mp-1176443 | Add one Mt atom at the Cartesian coordinate [0.729 3.164 3.186] to the cif file. | data_image0
_chemical_formula_structural Mn4Fe4B4O16
_chemical_formula_sum "Mn4 Fe4 B4 O16"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mn4Fe4B4O16Mt
_chemical_formula_sum "Mn4 Fe4 B4 O16 Mt1"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 0c299ef7-e8e3-40e5-8530-fea25e350299 | mp-504554 | Add one Fr atom at the Cartesian coordinate [ 4.039 1.941 11.635] to the cif file. | data_image0
_chemical_formula_structural Ba5Ta4O15
_chemical_formula_sum "Ba5 Ta4 O15"
_cell_length_a 5.81978595
_cell_length_b 5.81978595
_cell_length_c 11.884633370000001
_cell_angle_alpha 90.00003437
_cell_angle_beta 89.999961
_cell_angle_gamma 119.99998843
_space_grou... | data_image0
_chemical_formula_structural Ba5Ta4O15Fr
_chemical_formula_sum "Ba5 Ta4 O15 Fr1"
_cell_length_a 5.81978595
_cell_length_b 5.81978595
_cell_length_c 11.884633370000001
_cell_angle_alpha 90.00003437
_cell_angle_beta 89.999961
_cell_angle_gamma 119.99998843
_spac... |
AddAtomAction | 8edf9217-fec4-4f74-9904-1a12fa0ef30d | mp-1204107 | Add one Os atom at the Cartesian coordinate [1.01 5.468 3.421] to the cif file. | data_image0
_chemical_formula_structural Al8Fe4Si10O36
_chemical_formula_sum "Al8 Fe4 Si10 O36"
_cell_length_a 10.03890181
_cell_length_b 10.03890181
_cell_length_c 9.408538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.72560159
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al8Fe4Si10O36Os
_chemical_formula_sum "Al8 Fe4 Si10 O36 Os1"
_cell_length_a 10.03890181
_cell_length_b 10.03890181
_cell_length_c 9.408538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.72560159
_space_group_nam... |
AddAtomAction | d88cd50d-89a4-42d8-ae42-48d6c944d07f | mp-1019708 | Add one Mo atom at the Cartesian coordinate [10.344 7.711 9.085] to the cif file. | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28Mo
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28 Mo1"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
AddAtomAction | c3645716-c1bc-4f91-aa80-af45e7974873 | mp-1033689 | Add one Ra atom at the Cartesian coordinate [2.372 3.963 2.965] to the cif file. | data_image0
_chemical_formula_structural RbMg6BO7
_chemical_formula_sum "Rb1 Mg6 B1 O7"
_cell_length_a 4.038395
_cell_length_b 4.038395
_cell_length_c 12.807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural RbMg6BO7Ra
_chemical_formula_sum "Rb1 Mg6 B1 O7 Ra1"
_cell_length_a 4.038395
_cell_length_b 4.038395
_cell_length_c 12.807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
AddAtomAction | ca2c1bf6-712e-45d8-9af1-5bd500d0fc89 | mp-1224552 | Add one Tl atom at the Cartesian coordinate [ 1.517 1.221 15.744] to the cif file. | data_image0
_chemical_formula_structural Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ho4NiSn8Tl
_chemical_formula_sum "Ho4 Ni1 Sn8 Tl1"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | 680a3aed-6892-4bb5-872b-f48a47631e83 | mp-34195 | Add one Th atom at the Cartesian coordinate [4.858 2.244 2.84 ] to the cif file. | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2C2O6Th
_chemical_formula_sum "Ba2 C2 O6 Th1"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | cf07ac8e-349b-4543-bd8e-57c9aa35e613 | mp-761916 | Add one Zr atom at the Cartesian coordinate [ 7.466 0.482 10.042] to the cif file. | data_image0
_chemical_formula_structural Na4H16Au4Br16O8
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4H16Au4Br16O8Zr
_chemical_formula_sum "Na4 H16 Au4 Br16 O8 Zr1"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | 32d330e9-cf02-4de9-bac0-df9edb781501 | mp-1359845 | Add one Ce atom at the Cartesian coordinate [ 4.14 2.836 10.017] to the cif file. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu4P8O28Ce
_chemical_formula_sum "Ca2 Cu4 P8 O28 Ce1"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_g... |
AddAtomAction | ddae494f-c0a5-414d-8ec6-3d0d6dfc3618 | mp-1202862 | Add one Zn atom at the Cartesian coordinate [14.177 5.488 4.095] to the cif file. | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Co4S12N12O8Zn
_chemical_formula_sum "Co4 S12 N12 O8 Zn1"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | e468c86e-9beb-4a47-8a6c-c87cc500f81b | mp-2715503 | Add one Hf atom at the Cartesian coordinate [5.353 6.702 1.771] to the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48Hf
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48 Hf1"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0... |
AddAtomAction | ed376a41-f455-4ab1-86e1-1f6cffaa175f | mp-1100683 | Add one Mo atom at the Cartesian coordinate [6.472 3.004 0.921] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 7.7159323
_cell_length_b 7.7159322999999995
_cell_length_c 5.83132204
_cell_angle_alpha 68.16691333
_cell_angle_beta 68.16691333
_cell_angle_gamma 96.14700931
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Mo
_chemical_formula_sum "Li9 Mn2 Co5 O16 Mo1"
_cell_length_a 7.7159323
_cell_length_b 7.7159322999999995
_cell_length_c 5.83132204
_cell_angle_alpha 68.16691333
_cell_angle_beta 68.16691333
_cell_angle_gamma 96.14700931... |
AddAtomAction | a87d6dda-e32d-410b-bfdc-d2a1973dedb3 | mp-559738 | Add one N atom at the Cartesian coordinate [-0.898 2.603 5.147] to the cif file. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S8N8Cl40N
_chemical_formula_sum "Sb8 S8 N9 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
... |
AddAtomAction | 3df73463-cff0-472e-8949-f0ff3bec9f0c | mp-754011 | Add one Ti atom at the Cartesian coordinate [1.332 2.944 3.105] to the cif file. | data_image0
_chemical_formula_structural Li2Bi6O12
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.14... | data_image0
_chemical_formula_structural Li2Bi6O12Ti
_chemical_formula_sum "Li2 Bi6 O12 Ti1"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma ... |
AddAtomAction | a6f21075-26e9-4426-9ae2-2ffb51e3f5f5 | mp-555534 | Add one U atom at the Cartesian coordinate [2.402 5.712 6.06 ] to the cif file. | data_image0
_chemical_formula_structural K8Mn2Mo8O30
_chemical_formula_sum "K8 Mn2 Mo8 O30"
_cell_length_a 10.5685905
_cell_length_b 10.5685905
_cell_length_c 8.35687
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000312999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8Mn2Mo8O30U
_chemical_formula_sum "K8 Mn2 Mo8 O30 U1"
_cell_length_a 10.5685905
_cell_length_b 10.5685905
_cell_length_c 8.35687
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000312999998
_space_group_name_H... |
AddAtomAction | 9001ebd5-b7b9-46ab-8ae5-3d7f5aea360f | mp-1228731 | Add one Cr atom at the Cartesian coordinate [1.464 1.771 2.487] to the cif file. | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32Cr
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32 Cr1"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.1137... |
AddAtomAction | 1ea1e76d-de6c-4da7-aa92-c50d806f211b | mp-1405776 | Add one Eu atom at the Cartesian coordinate [6.816 1.788 1.755] to the cif file. | data_image0
_chemical_formula_structural La2VZnO6
_chemical_formula_sum "La2 V1 Zn1 O6"
_cell_length_a 5.53529803
_cell_length_b 5.53529803
_cell_length_c 5.53529736
_cell_angle_alpha 61.57173501999999
_cell_angle_beta 61.57173501999999
_cell_angle_gamma 61.571734660000004... | data_image0
_chemical_formula_structural La2VZnO6Eu
_chemical_formula_sum "La2 V1 Zn1 O6 Eu1"
_cell_length_a 5.53529803
_cell_length_b 5.53529803
_cell_length_c 5.53529736
_cell_angle_alpha 61.57173501999999
_cell_angle_beta 61.57173501999999
_cell_angle_gamma 61.571734660... |
AddAtomAction | 80864522-b2ac-49a9-ad6f-7ab8f5747d7d | mp-765679 | Add one Dy atom at the Cartesian coordinate [2.927 4.589 0.76 ] to the cif file. | data_image0
_chemical_formula_structural Na5Ni6O12
_chemical_formula_sum "Na5 Ni6 O12"
_cell_length_a 5.90590272
_cell_length_b 6.77917068
_cell_length_c 6.824543950000001
_cell_angle_alpha 66.79941026
_cell_angle_beta 76.6802411
_cell_angle_gamma 66.93232418
_space_group... | data_image0
_chemical_formula_structural Na5Ni6O12Dy
_chemical_formula_sum "Na5 Ni6 O12 Dy1"
_cell_length_a 5.90590272
_cell_length_b 6.77917068
_cell_length_c 6.824543950000001
_cell_angle_alpha 66.79941026
_cell_angle_beta 76.6802411
_cell_angle_gamma 66.93232418
_space... |
AddAtomAction | d937004d-08d1-4a3c-bd0a-976d53563c7f | mp-753408 | Add one Sb atom at the Cartesian coordinate [2.552 1.265 1.199] to the cif file. | data_image0
_chemical_formula_structural K2Li2Co2O4
_chemical_formula_sum "K2 Li2 Co2 O4"
_cell_length_a 5.71086211
_cell_length_b 5.71086211
_cell_length_c 8.36646467
_cell_angle_alpha 60.928591699999984
_cell_angle_beta 60.928591699999984
_cell_angle_gamma 34.51888808
_... | data_image0
_chemical_formula_structural K2Li2Co2O4Sb
_chemical_formula_sum "K2 Li2 Co2 O4 Sb1"
_cell_length_a 5.71086211
_cell_length_b 5.71086211
_cell_length_c 8.36646467
_cell_angle_alpha 60.928591699999984
_cell_angle_beta 60.928591699999984
_cell_angle_gamma 34.51888... |
AddAtomAction | 2ac2d5cf-5a5a-45ef-8070-0b360235afe1 | mp-771174 | Add one Ts atom at the Cartesian coordinate [ 4.288 4.689 11.53 ] to the cif file. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8B8O20Ts
_chemical_formula_sum "Ba8 B8 O20 Ts1"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | ebaeb6a1-d155-492c-902c-507bb8dc4179 | mp-8877 | Add one Yb atom at the Cartesian coordinate [ 2.685 -1.656 5.323] to the cif file. | data_image0
_chemical_formula_structural Sr4Al6SO12
_chemical_formula_sum "Sr4 Al6 S1 O12"
_cell_length_a 8.09501311
_cell_length_b 8.09501311
_cell_length_c 8.09501311
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Sr4Al6SO12Yb
_chemical_formula_sum "Sr4 Al6 S1 O12 Yb1"
_cell_length_a 8.09501311
_cell_length_b 8.09501311
_cell_length_c 8.09501311
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
AddAtomAction | da899f11-63ee-4109-a341-72526391192d | mp-26157 | Add one Am atom at the Cartesian coordinate [0.768 7.476 7.574] to the cif file. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48Am
_chemical_formula_sum "Li4 Sb4 P16 O48 Am1"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
AddAtomAction | 833ffaad-c29b-4ac2-b987-a1808bc78724 | mp-11321 | Add one At atom at the Cartesian coordinate [2.633 2.057 6.639] to the cif file. | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y6Ta2O14At
_chemical_formula_sum "Y6 Ta2 O14 At1"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-... |
AddAtomAction | e8f0cf49-0f98-4b7c-92fd-ef6d7f6a8716 | mp-1026795 | Add one F atom at the Cartesian coordinate [-0.76 3.069 3.655] to the cif file. | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiMg14WF
_chemical_formula_sum "Li1 Mg14 W1 F1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_... |
AddAtomAction | 69fa7200-4d58-4ee1-a480-739b697a427f | mp-1522139 | Add one Nd atom at the Cartesian coordinate [7.075 1.941 1.488] to the cif file. | data_image0
_chemical_formula_structural Ca2HfZrO6
_chemical_formula_sum "Ca2 Hf1 Zr1 O6"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Ca2HfZrO6Nd
_chemical_formula_sum "Ca2 Hf1 Zr1 O6 Nd1"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma... |
AddAtomAction | 5c556ef7-cbcb-46da-a1b4-0ed26cf9ea38 | mp-13456 | Add one Fm atom at the Cartesian coordinate [24.378 4.322 1.012] to the cif file. | data_image0
_chemical_formula_structural Zn5S5
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016399999... | data_image0
_chemical_formula_structural Zn5S5Fm
_chemical_formula_sum "Zn5 S5 Fm1"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016... |
AddAtomAction | 76329b2d-0d54-4eff-a732-9422e20f236e | mp-1519755 | Add one Nh atom at the Cartesian coordinate [8.656 5.144 4.32 ] to the cif file. | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrSmEuVO6Nh
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6 Nh1"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_... |
AddAtomAction | fc03ca1f-8b00-495b-b733-f7a822dd2f71 | mp-1234210 | Add one O atom at the Cartesian coordinate [5.901 2.237 3.216] to the cif file. | data_image0
_chemical_formula_structural MgP4Br12O4
_chemical_formula_sum "Mg1 P4 Br12 O4"
_cell_length_a 6.36628657
_cell_length_b 11.02611279
_cell_length_c 11.38689833
_cell_angle_alpha 89.53519106
_cell_angle_beta 90.22452353
_cell_angle_gamma 98.58385999000001
_space... | data_image0
_chemical_formula_structural MgP4Br12O5
_chemical_formula_sum "Mg1 P4 Br12 O5"
_cell_length_a 6.36628657
_cell_length_b 11.02611279
_cell_length_c 11.38689833
_cell_angle_alpha 89.53519106
_cell_angle_beta 90.22452353
_cell_angle_gamma 98.58385999000001
_space... |
AddAtomAction | 5502154b-5a2c-414e-89bf-727398ee240e | mp-1208324 | Add one Nb atom at the Cartesian coordinate [0.352 2.572 8.554] to the cif file. | data_image0
_chemical_formula_structural Ti8Al12
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti8Al12Nb
_chemical_formula_sum "Ti8 Al12 Nb1"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | 9adcd893-701d-46ec-ae04-99b8da1c5e09 | mp-759254 | Add one Te atom at the Cartesian coordinate [-0.369 3.268 8.135] to the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48Te
_chemical_formula_sum "Li2 Bi8 P14 O48 Te1"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86... |
AddAtomAction | 0c341ebd-9a8e-41de-9df1-fb2322a3a4b2 | mp-1209288 | Add one Pd atom at the Cartesian coordinate [2.81 7.524 9.318] to the cif file. | data_image0
_chemical_formula_structural Pr4Te4As4
_chemical_formula_sum "Pr4 Te4 As4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Pr4Te4As4Pd
_chemical_formula_sum "Pr4 Te4 As4 Pd1"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 015cf42d-fb4a-450a-94a7-dd984a60ed31 | mp-1110828 | Add one Rb atom at the Cartesian coordinate [3.042 3.775 0.188] to the cif file. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6Rb
_chemical_formula_sum "K2 Na1 Ta1 F6 Rb1"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999... |
AddAtomAction | 98439471-3077-4543-a6a7-e687fc75723b | mp-20547 | Add one Au atom at the Cartesian coordinate [2.596 4.538 0.272] to the cif file. | data_image0
_chemical_formula_structural Ca4Fe8O16
_chemical_formula_sum "Ca4 Fe8 O16"
_cell_length_a 3.02567488
_cell_length_b 9.24346216
_cell_length_c 10.72256921
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Ca4Fe8O16Au
_chemical_formula_sum "Ca4 Fe8 O16 Au1"
_cell_length_a 3.02567488
_cell_length_b 9.24346216
_cell_length_c 10.72256921
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | b548324e-5831-48f8-a459-40987888c22d | mp-1197546 | Add one Ba atom at the Cartesian coordinate [0.082 0.877 6.036] to the cif file. | data_image0
_chemical_formula_structural Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Ca4Cu4As4O20Ba
_chemical_formula_sum "Ca4 Cu4 As4 O20 Ba1"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | b45427be-7d13-4464-8590-f104cf656693 | mp-1214189 | Add one Zn atom at the Cartesian coordinate [8.017 7.591 2.157] to the cif file. | data_image0
_chemical_formula_structural Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Be6Si6C8S2O24Zn
_chemical_formula_sum "Be6 Si6 C8 S2 O24 Zn1"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | bba6c89b-e753-4951-9320-050de20c41f7 | mp-1113048 | Add one Ir atom at the Cartesian coordinate [5.168 3.096 4.439] to the cif file. | data_image0
_chemical_formula_structural Cs2RbAlF6
_chemical_formula_sum "Cs2 Rb1 Al1 F6"
_cell_length_a 5.98039244
_cell_length_b 5.98039226
_cell_length_c 5.98039226
_cell_angle_alpha 60.00000076999999
_cell_angle_beta 60.000001140000016
_cell_angle_gamma 60.00000117
_s... | data_image0
_chemical_formula_structural Cs2RbAlF6Ir
_chemical_formula_sum "Cs2 Rb1 Al1 F6 Ir1"
_cell_length_a 5.98039244
_cell_length_b 5.98039226
_cell_length_c 5.98039226
_cell_angle_alpha 60.00000076999999
_cell_angle_beta 60.000001140000016
_cell_angle_gamma 60.000001... |
AddAtomAction | 575191d6-89ef-468e-bb39-e104d07f2e13 | mp-760927 | Add one Ce atom at the Cartesian coordinate [6.116 3.874 7.518] to the cif file. | data_image0
_chemical_formula_structural Na4Ti4P4O20
_chemical_formula_sum "Na4 Ti4 P4 O20"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Na4Ti4P4O20Ce
_chemical_formula_sum "Na4 Ti4 P4 O20 Ce1"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | f22d2b98-468d-411b-8b1d-aab553ed056f | mp-1539446 | Add one Pd atom at the Cartesian coordinate [0.263 4.621 1.849] to the cif file. | data_image0
_chemical_formula_structural Cs4Pt2Cl8
_chemical_formula_sum "Cs4 Pt2 Cl8"
_cell_length_a 7.44671597
_cell_length_b 7.4467158
_cell_length_c 9.47830816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.98841345999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4Pt2Cl8Pd
_chemical_formula_sum "Cs4 Pt2 Cl8 Pd1"
_cell_length_a 7.44671597
_cell_length_b 7.4467158
_cell_length_c 9.47830816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.98841345999999
_space_group_name_H-M... |
AddAtomAction | 73686177-7d16-44e5-969f-ab10be43b624 | mp-580962 | Add one Fl atom at the Cartesian coordinate [ 0.369 1.039 12.963] to the cif file. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb2C4I6N4Fl
_chemical_formula_sum "Rb2 C4 I6 N4 Fl1"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | c2e22203-0abf-41a2-ab0e-d96b57e84acc | mp-1207936 | Add one La atom at the Cartesian coordinate [4.22 8.059 6.221] to the cif file. | data_image0
_chemical_formula_structural V4B4P8N4O36
_chemical_formula_sum "V4 B4 P8 N4 O36"
_cell_length_a 8.412787
_cell_length_b 9.477069
_cell_length_c 9.56597293
_cell_angle_alpha 75.74640795
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural V4B4P8N4O36La
_chemical_formula_sum "V4 B4 P8 N4 O36 La1"
_cell_length_a 8.412787
_cell_length_b 9.477069
_cell_length_c 9.56597293
_cell_angle_alpha 75.74640795
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 7bf43308-1588-4517-84be-65950f84c855 | mp-1112206 | Add one Cu atom at the Cartesian coordinate [3.103 1.164 2.229] to the cif file. | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2GaHgI6Cu
_chemical_formula_sum "K2 Ga1 Hg1 I6 Cu1"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
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