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 |
|---|---|---|---|---|---|
ChangeAtomAction | 7ec2c3ef-8647-49ca-b04f-007ed78a8563 | mp-1195405 | Change the atom at index 12 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4Mn4Cu4SrCu11P12
_chemical_formula_sum "Ho4 Mn4 Cu15 Sr1 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 8afbf521-702c-4e96-84fb-94c83c53cf69 | mp-767412 | Change the atom at index 3 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... | data_image0
_chemical_formula_structural Li3MgCo3S8
_chemical_formula_sum "Li3 Mg1 Co3 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_... |
ChangeAtomAction | dcc93dd8-1c42-439b-851d-1438ecd53df0 | mp-1208738 | Change the atom at index 4 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb4ArTb7Ni6Pb
_chemical_formula_sum "Tb11 Ar1 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space... |
ChangeAtomAction | f1627013-658f-49e7-b61e-a055ea450ef1 | mp-1080201 | Change the atom at index 25 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_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 Re12N13KrN2
_chemical_formula_sum "Re12 N15 Kr1"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
ChangeAtomAction | e84d120f-2e85-4d5b-9535-29583115336f | mp-1228475 | Change the atom at index 41 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O21PaO6
_chemical_formula_sum "Ba10 Mn2 Co8 O27 Pa1"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | 65b9b364-c2d6-4aa7-8f73-0f3f88c4c9be | mp-25284 | Change the atom at index 2 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... | data_image0
_chemical_formula_structural Li2CeMn3Ni2O12
_chemical_formula_sum "Li2 Ce1 Mn3 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_sp... |
ChangeAtomAction | f73a584f-6e51-425c-bacc-c5b31e7e97ed | mp-2233356 | Change the atom at index 15 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCu2AgS2O10
_chemical_formula_sum "Mg1 Cu2 Ag1 S2 O10"
_cell_length_a 5.89393351
_cell_length_b 5.8879384
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle_beta 101.12880505
_cell_angle_gamma 114.72312795000002
... | data_image0
_chemical_formula_structural MgCu2AgS2O9Y
_chemical_formula_sum "Mg1 Cu2 Ag1 S2 O9 Y1"
_cell_length_a 5.89393351
_cell_length_b 5.8879384
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle_beta 101.12880505
_cell_angle_gamma 114.72312795000002... |
ChangeAtomAction | f481a026-f451-4872-8a3e-8744bf549fac | mp-1204342 | Change the atom at index 17 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B9BaB2H16Cl4O32
_chemical_formula_sum "Ca8 B11 Ba1 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
ChangeAtomAction | 6d1b100f-eb72-4c86-ab5e-7276510c5f97 | mp-1178408 | Change the atom at index 9 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8HfCfHf2O12
_chemical_formula_sum "Cs8 Hf3 Cf1 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-... |
ChangeAtomAction | 07e6905f-b0ac-4f9c-ac3e-53da422d3dbe | mp-732227 | Change the atom at index 11 into Ho in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb4As4N3HoO16F8
_chemical_formula_sum "Sb4 As4 N3 Ho1 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | 78a67b00-df1a-45f2-81b7-b431963ace07 | mp-1204213 | Change the atom at index 57 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O35RfO24
_chemical_formula_sum "Tb4 Nb4 S14 O59 Rf1"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 850fd55f-0524-47ac-84f8-cb1a148327c2 | mp-1047596 | Change the atom at index 13 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 Zn4Bi8OHfO14
_chemical_formula_sum "Zn4 Bi8 O15 Hf1"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | f2ca87d0-5164-46df-9139-f058c6d615b7 | mp-850196 | Change the atom at index 17 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3V4O11F
_chemical_formula_sum "Li3 V4 O11 F1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_group_name... | data_image0
_chemical_formula_structural Li3V4O10VF
_chemical_formula_sum "Li3 V5 O10 F1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_group_nam... |
ChangeAtomAction | 672f2147-e2a8-4e84-96aa-7513653d92ff | mp-2217302 | Change the atom at index 8 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2MgNi2O6
_chemical_formula_sum "Ba2 Mg1 Ni2 O6"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba2MgNi2O3KrO2
_chemical_formula_sum "Ba2 Mg1 Ni2 O5 Kr1"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_a... |
ChangeAtomAction | 5f8e5fdf-4e56-4147-b500-98f50ca28f80 | mp-1111109 | Change the atom at index 0 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2LiNbF6
_chemical_formula_sum "K2 Li1 Nb1 F6"
_cell_length_a 5.9279406
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural SmKLiNbF6
_chemical_formula_sum "Sm1 K1 Li1 Nb1 F6"
_cell_length_a 5.9279406
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
ChangeAtomAction | cdb5497c-e09f-4248-ae6a-0b74401d7a97 | mp-1019897 | Change the atom at index 11 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4N4O16
_chemical_formula_sum "La4 N4 O16"
_cell_length_a 5.63928
_cell_length_b 7.303537
_cell_length_c 9.578525
_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_... | data_image0
_chemical_formula_structural La4N4O3PrO12
_chemical_formula_sum "La4 N4 O15 Pr1"
_cell_length_a 5.63928
_cell_length_b 7.303537
_cell_length_c 9.578525
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
ChangeAtomAction | b2957e6a-3d7d-4da6-860a-299a69e8f021 | mp-1209658 | Change the atom at index 0 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... | data_image0
_chemical_formula_structural PuPr9C12Br6
_chemical_formula_sum "Pu1 Pr9 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_spa... |
ChangeAtomAction | e6bb27a3-f2e5-4117-803a-2d8b14bedca8 | mp-1179989 | Change the atom at index 20 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I2RnIN16
_chemical_formula_sum "Pd2 C8 S8 I3 Rn1 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.... |
ChangeAtomAction | 488ae949-d3fd-4004-a395-60cdbb2de595 | mp-1043265 | Change the atom at index 0 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2Fe4O10
_chemical_formula_sum "Zn2 Fe4 O10"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 11.038242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural VZnFe4O10
_chemical_formula_sum "V1 Zn1 Fe4 O10"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 11.038242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_space_group_name_H-M_alt ... |
ChangeAtomAction | 60ec98f8-96b3-4dfd-b084-40288e202554 | mp-1047241 | Change the atom at index 3 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2MoWO6
_chemical_formula_sum "Ca2 Mo1 W1 O6"
_cell_length_a 5.605692
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.6781164
_cell_angle_gamma 60.79860257000001
_... | data_image0
_chemical_formula_structural Ca2MoLiO6
_chemical_formula_sum "Ca2 Mo1 Li1 O6"
_cell_length_a 5.605692
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.6781164
_cell_angle_gamma 60.79860257000001
... |
ChangeAtomAction | f5cf89fb-11be-4fcf-ba27-1368e9e91e75 | mp-1517569 | Change the atom at index 22 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Eu4Sb4W4O24
_chemical_formula_sum "K4 Eu4 Sb4 W4 O24"
_cell_length_a 8.417926
_cell_length_b 8.40426722
_cell_length_c 8.44088553
_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 K4Eu4Sb4W4O6FmO17
_chemical_formula_sum "K4 Eu4 Sb4 W4 O23 Fm1"
_cell_length_a 8.417926
_cell_length_b 8.40426722
_cell_length_c 8.44088553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | 041cd19e-0b9e-468f-a65e-83b1a30ab3de | mp-1237057 | Change the atom at index 6 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaTi2PbO6
_chemical_formula_sum "Ca1 Ti2 Pb1 O6"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 8.1786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural CaTi2PbO2MtO3
_chemical_formula_sum "Ca1 Ti2 Pb1 O5 Mt1"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 8.1786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | 3b420660-6c20-4c0a-b349-3ef5343d0884 | mp-29621 | Change the atom at index 4 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Bi6
_chemical_formula_sum "Ba10 Bi6"
_cell_length_a 10.28896437
_cell_length_b 10.28890659
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba4CnBa5Bi6
_chemical_formula_sum "Ba9 Cn1 Bi6"
_cell_length_a 10.28896437
_cell_length_b 10.28890659
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-M... |
ChangeAtomAction | c5a8592a-3649-424f-9b0e-bfed4f51e111 | mp-753628 | Change the atom at index 10 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li2V2F6AgF5
_chemical_formula_sum "Li2 V2 F11 Ag1"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt ... |
ChangeAtomAction | 780e50fe-f35c-4016-a36e-334068c77154 | mp-1021415 | Change the atom at index 14 into Cm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Mg12Sn2
_chemical_formula_sum "La2 Mg12 Sn2"
_cell_length_a 5.253729
_cell_length_b 6.529946
_cell_length_c 11.951848
_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 La2Mg12CmSn
_chemical_formula_sum "La2 Mg12 Cm1 Sn1"
_cell_length_a 5.253729
_cell_length_b 6.529946
_cell_length_c 11.951848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
ChangeAtomAction | 29bf6f46-f998-4135-8ec0-103bbab0cbea | mp-26995 | Change the atom at index 0 into Pb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Co2P4O14
_chemical_formula_sum "Li2 Co2 P4 O14"
_cell_length_a 8.123492
_cell_length_b 4.868697
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural PbLiCo2P4O14
_chemical_formula_sum "Pb1 Li1 Co2 P4 O14"
_cell_length_a 8.123492
_cell_length_b 4.868697
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | b1a9424c-9537-4d03-873f-1cf5f4e6943a | mp-756816 | Change the atom at index 4 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Fe3O8
_chemical_formula_sum "Li3 Fe3 O8"
_cell_length_a 5.87904966
_cell_length_b 5.87904966
_cell_length_c 5.87904966
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48438635
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li3FeInFeO8
_chemical_formula_sum "Li3 Fe2 In1 O8"
_cell_length_a 5.87904966
_cell_length_b 5.87904966
_cell_length_c 5.87904966
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48438635
_space_group_n... |
ChangeAtomAction | ed6cba4b-2171-4f8a-91ec-e6e1a25ba08f | mp-661715 | Change the atom at index 16 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12IrO
_chemical_formula_sum "Ti2 S2 Cl12 Ir1 O1"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_g... |
ChangeAtomAction | 16665769-0a26-4041-9a18-98f6d103819d | mp-510581 | Change the atom at index 2 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4
_chemical_formula_sum "Pr2 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr2CfNiSn2H4
_chemical_formula_sum "Pr2 Cf1 Ni1 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_a... |
ChangeAtomAction | 736c755c-faa3-4140-b701-802c02f9b807 | mp-1227512 | Change the atom at index 13 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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_... | data_image0
_chemical_formula_structural Bi8Se5RbS6
_chemical_formula_sum "Bi8 Se5 Rb1 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
ChangeAtomAction | bf429b96-8fda-4dec-a619-3b93a7eb3773 | mp-1201549 | Change the atom at index 5 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe2Sb12Pb8Se28
_chemical_formula_sum "Fe2 Sb12 Pb8 Se28"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 16.841557159999997
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Fe2Sb3FlSb8Pb8Se28
_chemical_formula_sum "Fe2 Sb11 Fl1 Pb8 Se28"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 16.841557159999997
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
ChangeAtomAction | bd10f92d-1778-426a-80c8-39250f3be17d | mp-1021280 | Change the atom at index 6 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 Li2Mg4RbMg7Bi2
_chemical_formula_sum "Li2 Mg11 Rb1 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 8f0be0b4-d16a-471e-bfa7-42f61d4b538c | mp-1217800 | Change the atom at index 17 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... | data_image0
_chemical_formula_structural Ta12MoO4UO28
_chemical_formula_sum "Ta12 Mo1 O32 U1"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969... |
ChangeAtomAction | d79a68b1-874a-433f-960c-06a100c49e97 | mp-773076 | Change the atom at index 54 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co16O32
_chemical_formula_sum "Li8 Co16 O32"
_cell_length_a 8.056096
_cell_length_b 8.056096
_cell_length_c 8.056096
_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 Li8Co16O30MoO
_chemical_formula_sum "Li8 Co16 O31 Mo1"
_cell_length_a 8.056096
_cell_length_b 8.056096
_cell_length_c 8.056096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | 8d32d91f-883c-4e76-9369-925bbc653548 | mp-1188770 | Change the atom at index 1 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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_IT... | data_image0
_chemical_formula_structural ErThEr10Co4
_chemical_formula_sum "Er11 Th1 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
ChangeAtomAction | 60bf42c3-b636-4a04-a4a7-4d653f8b38f8 | mp-1037998 | Change the atom at index 18 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 Mg18ZnMg11AlCdO32
_chemical_formula_sum "Mg29 Zn1 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 44820f41-8f02-404e-917a-cbeeef313236 | mp-2227915 | Change the atom at index 9 into Ho in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTe4Mo3WS4
_chemical_formula_sum "Mg1 Te4 Mo3 W1 S4"
_cell_length_a 3.38244389
_cell_length_b 3.3819439799999995
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural MgTe4Mo3WHoS3
_chemical_formula_sum "Mg1 Te4 Mo3 W1 Ho1 S3"
_cell_length_a 3.38244389
_cell_length_b 3.3819439799999995
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002
_cell_angle_gamma... |
ChangeAtomAction | 9cdfe988-6c27-4e60-8b9a-19f67bd80c28 | mp-1228475 | Change the atom at index 36 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O16SeO11
_chemical_formula_sum "Ba10 Mn2 Co8 O27 Se1"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | 9ca1346f-42df-4ee1-8334-233af3149d67 | mp-17620 | Change the atom at index 14 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm6B6O18
_chemical_formula_sum "Tm6 B6 O18"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 8.686243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tm6B6O2EsO15
_chemical_formula_sum "Tm6 B6 O17 Es1"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 8.686243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_name_H-M_alt ... |
ChangeAtomAction | 2ef4f45d-e0b9-4ef6-b016-36807eb5eaa2 | mp-777800 | Change the atom at index 4 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe4O6F2
_chemical_formula_sum "Fe4 O6 F2"
_cell_length_a 5.58597388
_cell_length_b 5.58597388
_cell_length_c 4.69974869
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma 65.441805
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Fe4GaO5F2
_chemical_formula_sum "Fe4 Ga1 O5 F2"
_cell_length_a 5.58597388
_cell_length_b 5.58597388
_cell_length_c 4.69974869
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma 65.441805
_space_group_name_... |
ChangeAtomAction | 7d5d6084-d33e-40ca-b038-e5b916449ab7 | mp-697170 | Change the atom at index 31 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg4H24Br3CfBr4N8
_chemical_formula_sum "Mg4 H24 Br7 Cf1 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 6413cb8a-1d72-4aad-9487-11a514a66114 | mp-757411 | Change the atom at index 15 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li8Co4P3FlP4O28
_chemical_formula_sum "Li8 Co4 P7 Fl1 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_spac... |
ChangeAtomAction | 3885d3d3-ad8c-45d5-9370-3aa77c8fa153 | mp-1036398 | Change the atom at index 12 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 Mg12SrMgAlBO16
_chemical_formula_sum "Mg13 Sr1 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 636f3afd-9945-45c7-8583-7594eea5dea6 | mp-1046855 | Change the atom at index 7 into Pd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Sb4O8
_chemical_formula_sum "Ca2 Sb4 O8"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 6.94412517
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Ca2Sb4OPdO6
_chemical_formula_sum "Ca2 Sb4 O7 Pd1"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 6.94412517
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
ChangeAtomAction | 118ddba0-31fe-4252-a5c9-3651db789a1b | mp-570610 | Change the atom at index 36 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cd13I23HgI2
_chemical_formula_sum "Cd13 I25 Hg1"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt ... |
ChangeAtomAction | 1d456004-f7fd-4812-ba45-3a2e3c285371 | mp-1175691 | Change the atom at index 11 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2HeCo4O16
_chemical_formula_sum "Li9 Mn2 He1 Co4 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.3025... |
ChangeAtomAction | dba991aa-b80c-4c25-8787-40f8b6b9119e | mp-1218051 | Change the atom at index 9 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4MoS8
_chemical_formula_sum "Ta4 Mo1 S8"
_cell_length_a 3.32250052
_cell_length_b 3.32250052
_cell_length_c 25.410429
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta4MoS4HgS3
_chemical_formula_sum "Ta4 Mo1 S7 Hg1"
_cell_length_a 3.32250052
_cell_length_b 3.32250052
_cell_length_c 25.410429
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028000001
_space_group_name_H-M... |
ChangeAtomAction | a5664fbe-5733-41c9-8115-830a4ef5b671 | mp-782632 | Change the atom at index 51 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Ni8S16O19RnO44
_chemical_formula_sum "Li8 Ni8 S16 O63 Rn1"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | 15b7bcaa-027c-4c07-b850-704b859bc471 | mp-1074751 | Change the atom at index 4 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.96411
_cell_length_b 6.031043
_cell_length_c 7.63054751
_cell_angle_alpha 66.95852602
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Mg4InMg3Si4
_chemical_formula_sum "Mg7 In1 Si4"
_cell_length_a 5.96411
_cell_length_b 6.031043
_cell_length_c 7.63054751
_cell_angle_alpha 66.95852602
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 8e0cc34e-7f0d-4141-aad8-8a2acec045ab | mp-1207428 | Change the atom at index 3 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Zr3CaNi4As4
_chemical_formula_sum "Zr3 Ca1 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | fcd5c1cb-92d4-4787-92ab-d58be2e4cf30 | mp-567381 | Change the atom at index 8 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Hg4C8
_chemical_formula_sum "K4 Hg4 C8"
_cell_length_a 17.91584894
_cell_length_b 17.486908269999997
_cell_length_c 5.171992299999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gamma 16.743760769999987
... | data_image0
_chemical_formula_structural K4Hg4TaC7
_chemical_formula_sum "K4 Hg4 Ta1 C7"
_cell_length_a 17.91584894
_cell_length_b 17.486908269999997
_cell_length_c 5.171992299999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gamma 16.7437607699... |
ChangeAtomAction | 93c927d0-8a8a-4c6e-97ff-0ccb511d8583 | mp-1508 | Change the atom at index 14 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 La8S6LrS9
_chemical_formula_sum "La8 S15 Lr1"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | 30a07431-f751-4baa-bcdf-9c10c77c31c7 | mp-781738 | Change the atom at index 32 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O6LiO25
_chemical_formula_sum "Na12 V4 B8 S2 O31 Li1"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 5... |
ChangeAtomAction | 1bd71e1b-f16a-4a9d-82ed-60755f1efee9 | mp-766361 | Change the atom at index 8 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb8EsNb11O50
_chemical_formula_sum "Nb19 Es1 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group... |
ChangeAtomAction | b68ccb87-6c1e-4daf-beb1-8cb435a4db68 | mp-1173920 | Change the atom at index 1 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... | data_image0
_chemical_formula_structural LiCfLi2Mn2Co2O8
_chemical_formula_sum "Li3 Cf1 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
... |
ChangeAtomAction | eaa13106-ecb7-45a7-98fd-6864db520b37 | mp-1193845 | Change the atom at index 16 into Pm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7Cu3PmCu12
_chemical_formula_sum "Ho6 Al7 Cu15 Pm1"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
ChangeAtomAction | 7fe0886c-2584-4c50-9291-aea6ac2fed21 | mp-1207428 | Change the atom at index 4 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Zr4WNi3As4
_chemical_formula_sum "Zr4 W1 Ni3 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 9cb22e3b-d52b-4043-8a95-19c980434ad2 | mp-756426 | Change the atom at index 10 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr2Nb2O8
_chemical_formula_sum "Zr2 Nb2 O8"
_cell_length_a 6.36032836
_cell_length_b 6.36032836
_cell_length_c 5.14539008
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33015732
_cell_angle_gamma 113.67927965
_space_group_name_H... | data_image0
_chemical_formula_structural Zr2Nb2O6UO
_chemical_formula_sum "Zr2 Nb2 O7 U1"
_cell_length_a 6.36032836
_cell_length_b 6.36032836
_cell_length_c 5.14539008
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33015732
_cell_angle_gamma 113.67927965
_space_group_n... |
ChangeAtomAction | 3db80f1c-ac84-4b08-9432-1051374d7e45 | mp-2223616 | Change the atom at index 4 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuH2NdHO2F2
_chemical_formula_sum "Mg1 Cu1 H3 Nd1 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.... |
ChangeAtomAction | a474a397-3bc8-407b-a7e7-269d34bbc09b | mp-4279 | Change the atom at index 4 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ge8O20
_chemical_formula_sum "Ca4 Ge8 O20"
_cell_length_a 5.73313539
_cell_length_b 7.32176262
_cell_length_c 8.30649173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ca4AtGe7O20
_chemical_formula_sum "Ca4 At1 Ge7 O20"
_cell_length_a 5.73313539
_cell_length_b 7.32176262
_cell_length_c 8.30649173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | dd534578-dc1e-4433-9df8-7274c1f11aa0 | mp-30012 | Change the atom at index 7 into Ho in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Bi4Kr3HoF28
_chemical_formula_sum "Bi4 Kr3 Ho1 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 571c3a7f-6e2a-4ea8-a0db-5bce05f84eb1 | mp-740718 | Change the atom at index 80 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl8ThCl15
_chemical_formula_sum "Al8 H48 N16 Cl23 Th1"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | 3420c6eb-e34b-473d-acd7-51256de37fa2 | mp-752785 | Change the atom at index 12 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4U4O4FeO12
_chemical_formula_sum "Sm4 U4 O16 Fe1"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_n... |
ChangeAtomAction | 7a4102a8-a617-4b89-841c-fb79f83c2f9a | mp-721707 | Change the atom at index 0 into Ds in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural DsH23C12N16O12
_chemical_formula_sum "Ds1 H23 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86... |
ChangeAtomAction | 8a2976c5-75f9-4903-8627-ff76bb56017b | mp-1078280 | Change the atom at index 7 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ga2Pd4
_chemical_formula_sum "Ca4 Ga2 Pd4"
_cell_length_a 5.71127494
_cell_length_b 5.71127494
_cell_length_c 7.784373920000001
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.83040982
_cell_angle_gamma 59.933964769999996
_spa... | data_image0
_chemical_formula_structural Ca4Ga2PdPoPd2
_chemical_formula_sum "Ca4 Ga2 Pd3 Po1"
_cell_length_a 5.71127494
_cell_length_b 5.71127494
_cell_length_c 7.784373920000001
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.83040982
_cell_angle_gamma 59.9339647699999... |
ChangeAtomAction | f5e57d79-4f87-4043-a06f-fe56605a2699 | mp-2228948 | Change the atom at index 0 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural SmSb2P2H2O10
_chemical_formula_sum "Sm1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... |
ChangeAtomAction | e182b92a-a70a-45c8-bb80-bac0cdb5b760 | mp-1078929 | Change the atom at index 7 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg4Br4N2
_chemical_formula_sum "Hg4 Br4 N2"
_cell_length_a 7.20815582
_cell_length_b 7.208155820000001
_cell_length_c 6.247823
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999833000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Hg4Br3NoN2
_chemical_formula_sum "Hg4 Br3 No1 N2"
_cell_length_a 7.20815582
_cell_length_b 7.208155820000001
_cell_length_c 6.247823
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999833000001
_space_group_nam... |
ChangeAtomAction | 5e5d14d5-b4de-4fb0-8b11-9c97a3246091 | mp-1212544 | Change the atom at index 14 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3V3H6O7
_chemical_formula_sum "Na3 V3 H6 O7"
_cell_length_a 11.36722494
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_space_group_na... | data_image0
_chemical_formula_structural Na3V3H6O2PrO4
_chemical_formula_sum "Na3 V3 H6 O6 Pr1"
_cell_length_a 11.36722494
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_space_... |
ChangeAtomAction | ee6bd5d1-dfdb-438b-9465-68f749e1a258 | mp-771136 | Change the atom at index 17 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... | data_image0
_chemical_formula_structural Ho4Se6O7RfO16
_chemical_formula_sum "Ho4 Se6 O23 Rf1"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_spa... |
ChangeAtomAction | ca4e43bc-8c53-4791-9999-30db723f2e75 | mp-775339 | Change the atom at index 37 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O19InO10
_chemical_formula_sum "Li4 V2 Si12 O29 In1"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gam... |
ChangeAtomAction | 3d8c0dc2-29bb-4ee0-ad58-0d2e081e08e9 | mp-1213259 | Change the atom at index 20 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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_IT... | data_image0
_chemical_formula_structural Mn20McMn11Sn20
_chemical_formula_sum "Mn31 Mc1 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
ChangeAtomAction | c8045fa1-a189-496a-8683-55b5f50ba317 | mp-1226671 | Change the atom at index 22 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... | data_image0
_chemical_formula_structural Co4P6H12EsH9N4O18
_chemical_formula_sum "Co4 P6 H21 Es1 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_g... |
ChangeAtomAction | 00e5df4a-e14b-4353-89c3-b40095905acd | mp-1173581 | Change the atom at index 52 into Md in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_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 Na8Ti8P8O28MdO11
_chemical_formula_sum "Na8 Ti8 P8 O39 Md1"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | 6adda9c7-e047-4a6f-8cf5-620b36ba8604 | mp-1233593 | Change the atom at index 11 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O2NaO13
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O15 Na1"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.03... |
ChangeAtomAction | 4645bca4-097a-4d57-bc10-58d08004e156 | mp-2226963 | Change the atom at index 2 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... | data_image0
_chemical_formula_structural Rb2YbNaMgW2O8
_chemical_formula_sum "Rb2 Yb1 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_sp... |
ChangeAtomAction | b079c89c-313b-449e-9e31-f34ce04e650f | mp-1198084 | Change the atom at index 8 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... | data_image0
_chemical_formula_structural Ca6S2OsS3O27
_chemical_formula_sum "Ca6 S5 Os1 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.5... |
ChangeAtomAction | e91b3970-f053-4bd1-8d55-bfbebcb0f1e8 | mp-770417 | Change the atom at index 34 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O18HO5
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O23 H1"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.... |
ChangeAtomAction | f90516c6-103d-40d1-a024-b76237b59ce8 | mp-1245067 | Change the atom at index 69 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... | data_image0
_chemical_formula_structural Al69EsAl30
_chemical_formula_sum "Al99 Es1"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_grou... |
ChangeAtomAction | 913ad28d-fa26-4d7f-9f76-f095e2de9930 | mp-754801 | Change the atom at index 2 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li2NdTi6O13
_chemical_formula_sum "Li2 Nd1 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_spac... |
ChangeAtomAction | 7bba7819-da20-4384-8b17-97af2e08f80c | mp-1185731 | Change the atom at index 8 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... | data_image0
_chemical_formula_structural Mg8NaMg7ScAl12
_chemical_formula_sum "Mg15 Na1 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.5922... |
ChangeAtomAction | 34b68768-59aa-479b-8652-ceed3c220714 | mp-1111627 | Change the atom at index 9 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2NaPdF5Zn
_chemical_formula_sum "K2 Na1 Pd1 F5 Zn1"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... |
ChangeAtomAction | 8d930eb2-29b1-4f4c-942c-fa8c9c3439fb | mp-1174239 | Change the atom at index 20 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co6O6YbO7
_chemical_formula_sum "Li8 Co6 O13 Yb1"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_... |
ChangeAtomAction | f7204e05-5035-4d4f-9f34-ea684edafb40 | mp-558194 | Change the atom at index 11 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2La2Mg2W2O12
_chemical_formula_sum "Na2 La2 Mg2 W2 O12"
_cell_length_a 5.60498325
_cell_length_b 5.604983250000001
_cell_length_c 7.958433200000001
_cell_angle_alpha 89.95392383
_cell_angle_beta 89.95392383
_cell_angle_gamma 90.61... | data_image0
_chemical_formula_structural Na2La2Mg2W2O3YbO8
_chemical_formula_sum "Na2 La2 Mg2 W2 O11 Yb1"
_cell_length_a 5.60498325
_cell_length_b 5.604983250000001
_cell_length_c 7.958433200000001
_cell_angle_alpha 89.95392383
_cell_angle_beta 89.95392383
_cell_angle_gamma ... |
ChangeAtomAction | 8f47f072-9059-4607-896d-ea9758403906 | mp-779083 | Change the atom at index 8 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... | data_image0
_chemical_formula_structural Li2V3SnO2RhO5
_chemical_formula_sum "Li2 V3 Sn1 O7 Rh1"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_g... |
ChangeAtomAction | 81042fdf-4215-4731-b309-fb4a814e6d77 | mp-562403 | Change the atom at index 16 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4As4O4F16
_chemical_formula_sum "Cs4 As4 O4 F16"
_cell_length_a 6.48014715
_cell_length_b 5.12260146
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4As4O4F4MoF11
_chemical_formula_sum "Cs4 As4 O4 F15 Mo1"
_cell_length_a 6.48014715
_cell_length_b 5.12260146
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | 2caf0bda-44ec-4320-ac2b-cefc6c7da978 | mp-29185 | Change the atom at index 3 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te3ErO6F4
_chemical_formula_sum "Te3 Er1 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.6783140999999... |
ChangeAtomAction | 426259b9-3332-4717-9f32-631f67f4f758 | mp-776521 | Change the atom at index 17 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti3V2SbP6O24
_chemical_formula_sum "Ti3 V2 Sb1 P6 O24"
_cell_length_a 8.68819717
_cell_length_b 8.68819717
_cell_length_c 8.68819765
_cell_angle_alpha 60.802887500000004
_cell_angle_beta 60.802887500000004
_cell_angle_gamma 60.80288... | data_image0
_chemical_formula_structural Ti3V2SbP6O5AlO18
_chemical_formula_sum "Ti3 V2 Sb1 P6 O23 Al1"
_cell_length_a 8.68819717
_cell_length_b 8.68819717
_cell_length_c 8.68819765
_cell_angle_alpha 60.802887500000004
_cell_angle_beta 60.802887500000004
_cell_angle_gamma ... |
ChangeAtomAction | a95bcee8-f9c9-41d9-8bc9-3dff716031c8 | mp-1188903 | Change the atom at index 7 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... | data_image0
_chemical_formula_structural Pt2Cl5RhCl2O10
_chemical_formula_sum "Pt2 Cl7 Rh1 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_... |
ChangeAtomAction | 19da8ee5-6652-4798-a7b7-e75b068f37c7 | mp-1016677 | Change the atom at index 11 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Cr2C2
_chemical_formula_sum "Mg12 Cr2 C2"
_cell_length_a 3.111152
_cell_length_b 9.703971
_cell_length_c 10.344159
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Mg11LuCr2C2
_chemical_formula_sum "Mg11 Lu1 Cr2 C2"
_cell_length_a 3.111152
_cell_length_b 9.703971
_cell_length_c 10.344159
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | 714ad7ad-3342-4df5-8003-f824adcc2a58 | mp-1194096 | Change the atom at index 27 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... | data_image0
_chemical_formula_structural Sr8Ni4Se12O3KO32
_chemical_formula_sum "Sr8 Ni4 Se12 O35 K1"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 1... |
ChangeAtomAction | ea900f60-39d9-44bd-a682-45475507e262 | mp-761020 | Change the atom at index 7 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co8O4F12
_chemical_formula_sum "Co8 O4 F12"
_cell_length_a 5.61457836
_cell_length_b 5.61457836
_cell_length_c 10.15479898
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.44611164
_cell_angle_gamma 67.69860746
_space_group_name_H... | data_image0
_chemical_formula_structural Co7CuO4F12
_chemical_formula_sum "Co7 Cu1 O4 F12"
_cell_length_a 5.61457836
_cell_length_b 5.61457836
_cell_length_c 10.15479898
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.44611164
_cell_angle_gamma 67.69860746
_space_group_... |
ChangeAtomAction | 2e20525d-8700-449c-8c69-1ffe99d85107 | mp-1047132 | Change the atom at index 3 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... | data_image0
_chemical_formula_structural Ca2AgSiAg2O8
_chemical_formula_sum "Ca2 Ag3 Si1 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985... |
ChangeAtomAction | d5a8a1be-c178-4b53-aa7b-438ab126f784 | mp-626083 | Change the atom at index 5 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si4H4O10
_chemical_formula_sum "Si4 H4 O10"
_cell_length_a 8.9706373
_cell_length_b 8.9706373
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.204511430000004
_space_group_na... | data_image0
_chemical_formula_structural Si4HLvH2O10
_chemical_formula_sum "Si4 H3 Lv1 O10"
_cell_length_a 8.9706373
_cell_length_b 8.9706373
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.204511430000004
_space_g... |
ChangeAtomAction | 586574c6-d472-41a7-a678-2e3a75d8a524 | mp-19265 | Change the atom at index 10 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy4Ni4O12
_chemical_formula_sum "Dy4 Ni4 O12"
_cell_length_a 5.15399503
_cell_length_b 5.49893767
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle_beta 89.99809542
_cell_angle_gamma 90.00004845000001
_spac... | data_image0
_chemical_formula_structural Dy4Ni4O2CsO9
_chemical_formula_sum "Dy4 Ni4 O11 Cs1"
_cell_length_a 5.15399503
_cell_length_b 5.49893767
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle_beta 89.99809542
_cell_angle_gamma 90.00004845000001... |
ChangeAtomAction | c55d39d5-a70a-4b2a-9267-923cbb32036f | mp-1042880 | Change the atom at index 12 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn4Ni6O2ArO13
_chemical_formula_sum "Zn4 Ni6 O15 Ar1"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt... |
ChangeAtomAction | aac73687-4bd0-41f2-bead-fd9ff89ba3c9 | mp-753857 | Change the atom at index 4 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4O4F6
_chemical_formula_sum "Mn4 O4 F6"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 6.933818450000001
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.0499085
_space_group_nam... | data_image0
_chemical_formula_structural Mn4VO3F6
_chemical_formula_sum "Mn4 V1 O3 F6"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 6.933818450000001
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.0499085
_space_group... |
ChangeAtomAction | c8dd5bab-d48c-4a13-a099-1cd5c541b3f4 | mp-759335 | Change the atom at index 41 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O9PrO48
_chemical_formula_sum "Li10 V6 P16 O57 Pr1"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_spa... |
ChangeAtomAction | 4831fa24-e446-40cf-8c06-7efd58a9269c | mp-1212504 | Change the atom at index 25 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P12H5NH14W4O36
_chemical_formula_sum "Nd8 P12 H19 N1 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
ChangeAtomAction | 0ef447d8-299b-4b04-aa3d-6767aeb1b67e | mp-1028120 | Change the atom at index 2 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural CaMgMnMg12C
_chemical_formula_sum "Ca1 Mg13 Mn1 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt... |
ChangeAtomAction | cc193e3f-3b06-401b-aeac-299b37ebefd7 | mp-606121 | Change the atom at index 10 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4Bi10Rh6
_chemical_formula_sum "Ce4 Bi10 Rh6"
_cell_length_a 13.88962224
_cell_length_b 13.88962224
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.66538879
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Bi6RbBi3Rh6
_chemical_formula_sum "Ce4 Bi9 Rb1 Rh6"
_cell_length_a 13.88962224
_cell_length_b 13.88962224
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.66538879
_space_group_name_H-M_... |
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