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 | 2f9e1019-3ad6-4086-af24-65577d02a8e1 | mp-1246724 | Change the atom at index 10 into At in the cif file. The indices of atoms are started from 0. | 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 K10AtKW2N8
_chemical_formula_sum "K11 At1 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_... |
ChangeAtomAction | 644cc4b4-3d78-44c3-aefb-2dc31915a921 | mp-1207481 | Change the atom at index 4 into Fl in the cif file. The indices of atoms are started from 0. | 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 Zn3SbFlAsPb3O14
_chemical_formula_sum "Zn3 Sb1 Fl1 As1 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_nam... |
ChangeAtomAction | a47f78fc-823f-4e9a-aa85-904d0e254bb1 | mp-554704 | Change the atom at index 27 into Zr in the cif file. The indices of atoms are started from 0. | 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 Ti4P4H4O15ZrO4
_chemical_formula_sum "Ti4 P4 H4 O19 Zr1"
_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_n... |
ChangeAtomAction | fa9c9674-0415-4c5b-ab63-feddc13375f9 | mp-774789 | Change the atom at index 30 into Na in the cif file. The indices of atoms are started from 0. | 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 Li8Ti4Co6Sb6O6NaO25
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O31 Na1"
_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 ... |
ChangeAtomAction | 8736573b-9bad-4d6b-afa8-3e0981107e1c | mp-1223525 | Change the atom at index 16 into Fl in the cif file. The indices of atoms are started from 0. | 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 KLa7Cu4O4FlO11
_chemical_formula_sum "K1 La7 Cu4 O15 Fl1"
_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... |
ChangeAtomAction | 1550c2c6-b157-41e3-8d73-6351ccf90c90 | mp-1211239 | Change the atom at index 24 into Os in the cif file. The indices of atoms are started from 0. | 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 Nd4S6O14OsO25
_chemical_formula_sum "Nd4 S6 O39 Os1"
_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
_spa... |
ChangeAtomAction | 400ebd7d-5453-4890-84e6-2df822e22aea | mp-995217 | Change the atom at index 11 into Ca in the cif file. The indices of atoms are started from 0. | 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 H8C3CaC8
_chemical_formula_sum "H8 C11 Ca1"
_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_na... |
ChangeAtomAction | 2de52a0b-fce0-486c-8749-a46bf05f8ba0 | mp-24123 | Change the atom at index 8 into Pt in the cif file. The indices of atoms are started from 0. | 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 Rb2B6PtB5H12
_chemical_formula_sum "Rb2 B11 Pt1 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 59.999999999... |
ChangeAtomAction | 06707be7-4560-45ea-b197-23db9b197f66 | mp-849460 | Change the atom at index 19 into Ne in the cif file. The indices of atoms are started from 0. | 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 Mn8O4F7NeF4
_chemical_formula_sum "Mn8 O4 F11 Ne1"
_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 ... |
ChangeAtomAction | 4835aa22-e0cc-4317-94f8-227cdbd0bf14 | mp-1219829 | Change the atom at index 23 into In in the cif file. The indices of atoms are started from 0. | 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 Re2S16N2O3In
_chemical_formula_sum "Re2 S16 N2 O3 In1"
_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... |
ChangeAtomAction | 3ee77b29-4b3f-4f14-b685-012e95faf723 | mp-504385 | 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 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 Li8NaLi3Fe8P12O48
_chemical_formula_sum "Li11 Na1 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_... |
ChangeAtomAction | ebed8692-7109-4333-bc0a-1ab24184ebd2 | mp-726253 | Change the atom at index 0 into Dy in the cif file. The indices of atoms are started from 0. | 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 DyLi3S2O9
_chemical_formula_sum "Dy1 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... |
ChangeAtomAction | 93ec713a-a4d0-4e16-ad60-e8320d363bdc | mp-580525 | Change the atom at index 44 into Ho in the cif file. The indices of atoms are started from 0. | 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 Dy12Ni12Sn20HoSn3
_chemical_formula_sum "Dy12 Ni12 Sn23 Ho1"
_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 ... |
ChangeAtomAction | ea0bc680-aff6-46a3-aa53-affda2fb728f | mp-754649 | Change the atom at index 6 into W in the cif file. The indices of atoms are started from 0. | 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 Mn2C2S2WO13
_chemical_formula_sum "Mn2 C2 S2 W1 O13"
_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... |
ChangeAtomAction | 8e878f94-3655-4c53-8019-9b1794918fe5 | mp-17691 | Change the atom at index 21 into Tb in the cif file. The indices of atoms are started from 0. | 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 Cu12Sb4S5TbS6
_chemical_formula_sum "Cu12 Sb4 S11 Tb1"
_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"
... |
ChangeAtomAction | 8d9b9a8b-1df0-454f-9992-f6240648bb5d | mp-1023480 | Change the atom at index 13 into Pb in the cif file. The indices of atoms are started from 0. | 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 Mg12AlPbNi2
_chemical_formula_sum "Mg12 Al1 Pb1 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"
_sp... |
ChangeAtomAction | d3414be9-ab71-4914-9fb4-6a1f6bf0dbea | mp-1205559 | Change the atom at index 7 into Es in the cif file. The indices of atoms are started from 0. | 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 Yb2In2Br3EsBr2
_chemical_formula_sum "Yb2 In2 Br5 Es1"
_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... |
ChangeAtomAction | 37fc7aa5-f942-439d-894a-11de40be23b0 | mp-1227411 | Change the atom at index 13 into Sn in the cif file. The indices of atoms are started from 0. | 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 Ba2Sr2Ni2W2O5SnO6
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O11 Sn1"
_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 59.9996... |
ChangeAtomAction | 2cb38936-1a92-4f43-af7e-1e328b8861e3 | mp-1233510 | Change the atom at index 27 into Hg in the cif file. The indices of atoms are started from 0. | 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 MgAg20Bi4O2HgO13
_chemical_formula_sum "Mg1 Ag20 Bi4 O15 Hg1"
_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 89.049683... |
ChangeAtomAction | 44c8958e-6894-487b-a6d4-919096774928 | mp-1190647 | Change the atom at index 8 into Ar in the cif file. The indices of atoms are started from 0. | 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 Ge6F2ArF13
_chemical_formula_sum "Ge6 F15 Ar1"
_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 ... |
ChangeAtomAction | 7104d3cd-bedf-4ae2-ab6a-65c3ea8c949d | mp-777888 | Change the atom at index 5 into Sb in the cif file. The indices of atoms are started from 0. | 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 Li4FeSbFe2F12
_chemical_formula_sum "Li4 Fe3 Sb1 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... |
ChangeAtomAction | d1d72004-d2de-47ae-81de-6e01e143afc6 | mp-12241 | Change the atom at index 40 into As in the cif file. The indices of atoms are started from 0. | 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 Ca22Sb18AsSb
_chemical_formula_sum "Ca22 Sb19 As1"
_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 90.000003... |
ChangeAtomAction | a7a79497-cca6-42c4-a3a2-cbea2a37db58 | mp-1247135 | Change the atom at index 12 into Ne in the cif file. The indices of atoms are started from 0. | 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 Si12NeSiGe2N20
_chemical_formula_sum "Si13 Ne1 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_grou... |
ChangeAtomAction | c27fa964-88e1-45b7-89cb-2ac294763d3f | mp-1179664 | Change the atom at index 15 into Ce in the cif file. The indices of atoms are started from 0. | 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 V8Hg7CeO28
_chemical_formula_sum "V8 Hg7 Ce1 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"
_spa... |
ChangeAtomAction | 470e4a5a-8e9e-44e2-8ead-9f19e4089303 | mp-1095216 | Change the atom at index 11 into K in the cif file. The indices of atoms are started from 0. | 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 Nd2As2O7K
_chemical_formula_sum "Nd2 As2 O7 K1"
_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 63.92896... |
ChangeAtomAction | f5a1adab-42e1-4eec-bf76-066945391d30 | mp-1225453 | Change the atom at index 27 into Th in the cif file. The indices of atoms are started from 0. | 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 Er14Ag13ThAg37
_chemical_formula_sum "Er14 Ag50 Th1"
_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... |
ChangeAtomAction | e532bff0-dbd9-4659-998b-86bc2a7402f0 | mp-1217519 | Change the atom at index 9 into Ce in the cif file. The indices of atoms are started from 0. | 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 Th2V4Pb2OCeO14
_chemical_formula_sum "Th2 V4 Pb2 O15 Ce1"
_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
... |
ChangeAtomAction | 3e42336e-7fbc-4602-8756-af1b69f75356 | mp-1039565 | Change the atom at index 4 into Li in the cif file. The indices of atoms are started from 0. | 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 Ce2Mg2LiMg7
_chemical_formula_sum "Ce2 Mg9 Li1"
_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"
_... |
ChangeAtomAction | 587c1c93-daca-45cd-aa5b-f8a9a43f982e | mp-627601 | Change the atom at index 9 into Cs in the cif file. The indices of atoms are started from 0. | 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 Ag4Sb4SCsS6
_chemical_formula_sum "Ag4 Sb4 S7 Cs1"
_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... |
ChangeAtomAction | 59f8079f-a881-4f36-ae39-bf00d817f895 | mp-559593 | Change the atom at index 29 into S in the cif file. The indices of atoms are started from 0. | 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 P3S9N15F2SF3
_chemical_formula_sum "P3 S10 N15 F5"
_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 117.5547063... |
ChangeAtomAction | 87333784-452b-4979-9534-27b4592bb11f | mp-1576333 | Change the atom at index 16 into La in the cif file. The indices of atoms are started from 0. | 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 Mn2Al2W4O8LaO7
_chemical_formula_sum "Mn2 Al2 W4 O15 La1"
_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 90.000042... |
ChangeAtomAction | 3ea371ce-7793-4712-9670-736e268faaaf | mp-1190028 | Change the atom at index 7 into Md in the cif file. The indices of atoms are started from 0. | 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 Tm3Al4MdAl4Ni6
_chemical_formula_sum "Tm3 Al8 Md1 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_nam... |
ChangeAtomAction | 5999a255-db1c-404a-af2b-3fdc1029c286 | mp-1198979 | Change the atom at index 11 into Cf in the cif file. The indices of atoms are started from 0. | 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 K6Na5CfNa8MgTl18
_chemical_formula_sum "K6 Na13 Cf1 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-... |
ChangeAtomAction | 64d52be2-93a1-413a-99b2-634d41e18497 | mp-1272968 | Change the atom at index 2 into Pr in the cif file. The indices of atoms are started from 0. | 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 Na2PrV3O8
_chemical_formula_sum "Na2 Pr1 V3 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_... |
ChangeAtomAction | bcce3f12-6a37-42fb-b6f4-15beeb44d1e5 | mp-1191019 | Change the atom at index 5 into Ir in the cif file. The indices of atoms are started from 0. | 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 Er2Mn3IrMn8P7
_chemical_formula_sum "Er2 Mn11 Ir1 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... |
ChangeAtomAction | 593289a0-cb17-450e-8f65-ce17957823d8 | mp-1216954 | Change the atom at index 0 into W in the cif file. The indices of atoms are started from 0. | 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 WTm5Sc6Ge6
_chemical_formula_sum "W1 Tm5 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_... |
ChangeAtomAction | c87ffe0a-3fc4-41c2-9366-550f0f83efb5 | mp-1359492 | Change the atom at index 22 into Hf in the cif file. The indices of atoms are started from 0. | 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 Ba4Zn2Cu2Bi4F10HfF17
_chemical_formula_sum "Ba4 Zn2 Cu2 Bi4 F27 Hf1"
_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_gamm... |
ChangeAtomAction | 54f31771-8771-416d-8963-72fe8aa37407 | mp-1209592 | Change the atom at index 3 into Cf in the cif file. The indices of atoms are started from 0. | 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 P3CfP4O24
_chemical_formula_sum "P7 Cf1 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"... |
ChangeAtomAction | daf0aae0-89a3-4157-995a-e73cf6655f77 | mp-1303460 | Change the atom at index 39 into Rb in the cif file. The indices of atoms are started from 0. | 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 Li4Co4C8O23Rb
_chemical_formula_sum "Li4 Co4 C8 O23 Rb1"
_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 103.20... |
ChangeAtomAction | 969e6026-8be1-4b86-bc28-a5a35f8af6d9 | mp-26941 | Change the atom at index 13 into Tl in the cif file. The indices of atoms are started from 0. | 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 Li4Mn4P4OTlO14
_chemical_formula_sum "Li4 Mn4 P4 O15 Tl1"
_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
_... |
ChangeAtomAction | fccaee90-8978-47f3-b063-ca7762f864ec | mp-1200198 | Change the atom at index 51 into Ca in the cif file. The indices of atoms are started from 0. | 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 Cd8Cu8P8S4O23CaO44
_chemical_formula_sum "Cd8 Cu8 P8 S4 O67 Ca1"
_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_al... |
ChangeAtomAction | 4fd3b04d-a3d3-4f21-99d3-8498fe5c4213 | mp-1193000 | Change the atom at index 5 into Gd in the cif file. The indices of atoms are started from 0. | 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 NiC4GdS3N2O12
_chemical_formula_sum "Ni1 C4 Gd1 S3 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 66.768708209... |
ChangeAtomAction | aa0c8598-42fd-44f7-b0b7-d3f89bb191a6 | mp-1212287 | Change the atom at index 14 into Fm in the cif file. The indices of atoms are started from 0. | 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 Ho6B8FmB5Mo2
_chemical_formula_sum "Ho6 B13 Fm1 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-... |
ChangeAtomAction | 5b691f77-1e79-4708-abcc-731d33c7b12f | mp-764994 | Change the atom at index 12 into Ca in the cif file. The indices of atoms are started from 0. | 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 Li6V6CaP15O58
_chemical_formula_sum "Li6 V6 Ca1 P15 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
... |
ChangeAtomAction | 70a72901-69e9-4099-a4cd-2902038fd8b2 | mp-1227202 | Change the atom at index 13 into Th in the cif file. The indices of atoms are started from 0. | 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 CaAl4Si8ThO23
_chemical_formula_sum "Ca1 Al4 Si8 Th1 O23"
_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... |
ChangeAtomAction | 81e688e5-a3e4-46dc-9414-50995cedd095 | mp-1100889 | Change the atom at index 22 into Xe in the cif file. The indices of atoms are started from 0. | 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 Y6B6O10XeO3
_chemical_formula_sum "Y6 B6 O13 Xe1"
_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_... |
ChangeAtomAction | 679d9982-400c-4a35-b06d-7d3d84b641fd | mp-680133 | 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 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 Cd17I20InI13
_chemical_formula_sum "Cd17 I33 In1"
_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_... |
ChangeAtomAction | 92d57e49-a81b-4284-b1aa-8a224af7902d | mp-769928 | Change the atom at index 5 into Pr in the cif file. The indices of atoms are started from 0. | 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 Li4NbPrV2O8
_chemical_formula_sum "Li4 Nb1 Pr1 V2 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 33.044... |
ChangeAtomAction | 7f17e182-93b2-4537-ba61-86ce9b88b23c | mp-1520816 | Change the atom at index 21 into Os in the cif file. The indices of atoms are started from 0. | 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 Ba4Eu4Zr8O5OsO18
_chemical_formula_sum "Ba4 Eu4 Zr8 O23 Os1"
_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_al... |
ChangeAtomAction | 7075bfd5-cee0-43e1-9401-05cef9aea71e | mp-760314 | Change the atom at index 10 into Db in the cif file. The indices of atoms are started from 0. | 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 V6O4DbF19
_chemical_formula_sum "V6 O4 Db1 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
_spa... |
ChangeAtomAction | 6d3c0d9c-bf72-463d-9c7c-bd0e7e527de8 | mp-1192907 | Change the atom at index 7 into Sb in the cif file. The indices of atoms are started from 0. | 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 Cr6PSbP2O16
_chemical_formula_sum "Cr6 P3 Sb1 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_na... |
ChangeAtomAction | 980700d7-342b-4a60-8b1f-32cc7e9d96f9 | mp-753993 | Change the atom at index 2 into Eu in the cif file. The indices of atoms are started from 0. | 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 Nb2EuNbV4O20
_chemical_formula_sum "Nb3 Eu1 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... |
ChangeAtomAction | ad5f4949-b0e8-4372-b578-ceaebd731734 | mp-1386638 | Change the atom at index 14 into Po in the cif file. The indices of atoms are started from 0. | 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 Na5Cu3P4O2PoO13
_chemical_formula_sum "Na5 Cu3 P4 O15 Po1"
_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
... |
ChangeAtomAction | cc02631e-d924-453f-afd7-b1fed8834e34 | mp-705636 | Change the atom at index 35 into Si in the cif file. The indices of atoms are started from 0. | 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 Li6Mn20O9SiO30
_chemical_formula_sum "Li6 Mn20 O39 Si1"
_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 ... |
ChangeAtomAction | 78dad470-04a3-44da-99bf-72ec923d53a4 | mp-1197433 | Change the atom at index 0 into Mo in the cif file. The indices of atoms are started from 0. | 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 MoSm9Co38
_chemical_formula_sum "Mo1 Sm9 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-... |
ChangeAtomAction | 400e58f1-2889-4cfc-add0-650be12854ea | mp-1209821 | Change the atom at index 1 into Xe in the cif file. The indices of atoms are started from 0. | 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 NpXeNp2Ge4O8
_chemical_formula_sum "Np3 Xe1 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_gro... |
ChangeAtomAction | b34d988c-24f4-4e7a-af1a-44e02b25ac3a | mp-766138 | Change the atom at index 20 into Am in the cif file. The indices of atoms are started from 0. | 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 Li6Fe4P4O6AmO13
_chemical_formula_sum "Li6 Fe4 P4 O19 Am1"
_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_na... |
ChangeAtomAction | 96d42f41-38c5-4cca-bda0-dec0fe9ac941 | mp-1194470 | Change the atom at index 11 into Rg in the cif file. The indices of atoms are started from 0. | 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 Hf6Al5RgAl10Pt7
_chemical_formula_sum "Hf6 Al15 Rg1 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_g... |
ChangeAtomAction | f06378e6-065a-483d-a747-1b2ba9f519d4 | mp-2526683 | Change the atom at index 2 into In in the cif file. The indices of atoms are started from 0. | 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 W2InW4O21
_chemical_formula_sum "W6 In1 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_... |
ChangeAtomAction | 7c7e837d-eea3-4961-bbed-8dde2dd9ec7b | mp-1176443 | 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 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 Mn3MgFe4B4O16
_chemical_formula_sum "Mn3 Mg1 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"... |
ChangeAtomAction | 967c1000-8623-424c-9bda-5a124ed4bcb3 | mp-504554 | Change the atom at index 6 into Si in the cif file. The indices of atoms are started from 0. | 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 Ba5TaSiTa2O15
_chemical_formula_sum "Ba5 Ta3 Si1 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
_sp... |
ChangeAtomAction | 21eabfa3-e62c-49d9-b517-20c595d62811 | mp-1204107 | Change the atom at index 13 into Fl in the cif file. The indices of atoms are started from 0. | 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 Al8Fe4SiFlSi8O36
_chemical_formula_sum "Al8 Fe4 Si9 Fl1 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_nam... |
ChangeAtomAction | 0fcab88d-09d4-45dd-86a7-c38909ad1294 | mp-1019708 | Change the atom at index 12 into Ts in the cif file. The indices of atoms are started from 0. | 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 Cs4Ba4Li4TsP7O28
_chemical_formula_sum "Cs4 Ba4 Li4 Ts1 P7 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_gr... |
ChangeAtomAction | 5fabb180-51cd-46a8-9657-e5cee50f0cba | mp-1033689 | Change the atom at index 2 into N in the cif file. The indices of atoms are started from 0. | 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 RbMgNMg4BO7
_chemical_formula_sum "Rb1 Mg5 N1 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"
_spac... |
ChangeAtomAction | 28209a1e-57dd-4a45-99ef-c4349efc8e2e | mp-1224552 | Change the atom at index 4 into Hf in the cif file. The indices of atoms are started from 0. | 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 Ho4HfSn8
_chemical_formula_sum "Ho4 Hf1 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... |
ChangeAtomAction | 81412b79-ccea-4d8c-8e04-93ab9113e774 | mp-34195 | Change the atom at index 7 into Mt in the cif file. The indices of atoms are started from 0. | 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 Ba2C2O3MtO2
_chemical_formula_sum "Ba2 C2 O5 Mt1"
_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... |
ChangeAtomAction | 737965ab-ff47-4870-bcaf-d706f8253940 | mp-761916 | Change the atom at index 22 into Cd in the cif file. The indices of atoms are started from 0. | 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 Na4H16Au2CdAuBr16O8
_chemical_formula_sum "Na4 H16 Au3 Cd1 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_a... |
ChangeAtomAction | 0d7fc306-31ae-4169-85c3-9e3dd3dc7a53 | mp-1359845 | Change the atom at index 11 into Rh in the cif file. The indices of atoms are started from 0. | 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 Ca2Cu4P5RhP2O28
_chemical_formula_sum "Ca2 Cu4 P7 Rh1 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... |
ChangeAtomAction | 7a48faca-74b3-4ec2-a525-645da6308519 | mp-1202862 | Change the atom at index 20 into Fr in the cif file. The indices of atoms are started from 0. | 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 Co4S12N4FrN7O8
_chemical_formula_sum "Co4 S12 N11 Fr1 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_a... |
ChangeAtomAction | 269d2292-adab-4a8f-9fb9-1be6add772e4 | mp-2715503 | Change the atom at index 3 into Br in the cif file. The indices of atoms are started from 0. | 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 Na3BrNa8Sc4Si4Ge4P8O48
_chemical_formula_sum "Na11 Br1 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... |
ChangeAtomAction | 63b89493-0871-49ba-877c-fe394650819b | mp-1100683 | Change the atom at index 16 into Ho 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 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 Li9Mn2Co5HoO15
_chemical_formula_sum "Li9 Mn2 Co5 Ho1 O15"
_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... |
ChangeAtomAction | a3254cf0-beb7-4c1f-b323-0505c8d9bcf8 | mp-559738 | Change the atom at index 38 into S in the cif file. The indices of atoms are started from 0. | 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 Sb8S8N8Cl14SCl25
_chemical_formula_sum "Sb8 S9 N8 Cl39"
_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 105.655667220000... |
ChangeAtomAction | cf0467b3-54a5-4ab3-8d4e-3b47f14a7b93 | mp-754011 | Change the atom at index 13 into Cs in the cif file. The indices of atoms are started from 0. | 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 Li2Bi6O5CsO6
_chemical_formula_sum "Li2 Bi6 O11 Cs1"
_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 ... |
ChangeAtomAction | 2be6bcf4-c8ea-4a2f-9edb-afabe6c3feb4 | mp-555534 | Change the atom at index 6 into Se in the cif file. The indices of atoms are started from 0. | 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 K6SeKMn2Mo8O30
_chemical_formula_sum "K7 Se1 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_nam... |
ChangeAtomAction | 426529fb-41b8-461e-8f93-3d1930c1bf5a | mp-1228731 | Change the atom at index 20 into Ni in the cif file. The indices of atoms are started from 0. | 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 Ba2Li3La3Mo8O4NiO27
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O31 Ni1"
_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 68.11... |
ChangeAtomAction | e53d98b2-5fbe-45a9-880b-5a7939699757 | mp-1405776 | Change the atom at index 9 into Mc in the cif file. The indices of atoms are started from 0. | 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 La2VZnO5Mc
_chemical_formula_sum "La2 V1 Zn1 O5 Mc1"
_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... |
ChangeAtomAction | b6d140ce-65f4-43e3-93f4-06fc11a40377 | mp-765679 | Change the atom at index 1 into Cr in the cif file. The indices of atoms are started from 0. | 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 NaCrNa3Ni6O12
_chemical_formula_sum "Na4 Cr1 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
_spa... |
ChangeAtomAction | f9f8363a-813e-436d-b71e-f28ea9e810de | mp-753408 | Change the atom at index 1 into Ta in the cif file. The indices of atoms are started from 0. | 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 KTaLi2Co2O4
_chemical_formula_sum "K1 Ta1 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 34.518888... |
ChangeAtomAction | b0df826a-e268-4f12-a3c0-6ef162b3f944 | mp-771174 | Change the atom at index 3 into Tc in the cif file. The indices of atoms are started from 0. | 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 Ba3TcBa4B8O20
_chemical_formula_sum "Ba7 Tc1 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... |
ChangeAtomAction | b281933b-b953-4ecc-b85a-8d4ba478f766 | mp-8877 | Change the atom at index 17 into Ga in the cif file. The indices of atoms are started from 0. | 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 Sr4Al6SO6GaO5
_chemical_formula_sum "Sr4 Al6 S1 O11 Ga1"
_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
_spa... |
ChangeAtomAction | 2fb07ce0-aec7-43f7-9c7b-f247f4dd74aa | mp-26157 | Change the atom at index 19 into As in the cif file. The indices of atoms are started from 0. | 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 Li4Sb4P11AsP4O48
_chemical_formula_sum "Li4 Sb4 P15 As1 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_... |
ChangeAtomAction | 9a252092-1d11-4468-ae13-4aea88140cb1 | mp-11321 | Change the atom at index 9 into Cr in the cif file. The indices of atoms are started from 0. | 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 Y6Ta2OCrO12
_chemical_formula_sum "Y6 Ta2 O13 Cr1"
_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... |
ChangeAtomAction | d3164483-18c8-4511-bd99-530b8dcb38a3 | mp-1026795 | Change the atom at index 9 into O in the cif file. The indices of atoms are started from 0. | 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 LiMg8OMg5W
_chemical_formula_sum "Li1 Mg13 O1 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-... |
ChangeAtomAction | 48f7f652-e02f-4d9a-85dd-91186663bce0 | mp-1522139 | Change the atom at index 1 into La in the cif file. The indices of atoms are started from 0. | 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 CaLaHfZrO6
_chemical_formula_sum "Ca1 La1 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 ... |
ChangeAtomAction | ce4ee6b0-d88d-46e5-b60b-7a4bdb64906c | mp-13456 | Change the atom at index 5 into Nb in the cif file. The indices of atoms are started from 0. | 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 Zn5NbS4
_chemical_formula_sum "Zn5 Nb1 S4"
_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... |
ChangeAtomAction | b818cf0a-9c28-4ad3-9e56-0e33ef8ad412 | mp-1519755 | 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 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 SrSmCeVO6
_chemical_formula_sum "Sr1 Sm1 Ce1 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 ... |
ChangeAtomAction | 96b91f06-92db-4fa6-b9dd-3bf150c2bf98 | mp-1234210 | Change the atom at index 20 into Zr in the cif file. The indices of atoms are started from 0. | 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 MgP4Br12O3Zr
_chemical_formula_sum "Mg1 P4 Br12 O3 Zr1"
_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
... |
ChangeAtomAction | 84c23fd2-9c2f-4ac4-b830-042a329b66e9 | mp-1208324 | 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 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 Ti3SiTi4Al12
_chemical_formula_sum "Ti7 Si1 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_... |
ChangeAtomAction | 7fc9b8eb-8f03-4f50-89e9-1d7194d5ec98 | mp-759254 | Change the atom at index 48 into He in the cif file. The indices of atoms are started from 0. | 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 Li2Bi8P14O24HeO23
_chemical_formula_sum "Li2 Bi8 P14 O47 He1"
_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... |
ChangeAtomAction | ce9e28ec-ac04-41b4-9226-2f5419e190fb | mp-1209288 | Change the atom at index 9 into Er in the cif file. The indices of atoms are started from 0. | 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 Pr4Te4AsErAs2
_chemical_formula_sum "Pr4 Te4 As3 Er1"
_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 "... |
ChangeAtomAction | 8a64aed2-4cb6-4dc5-aaba-41b0e0a89ff1 | mp-1110828 | Change the atom at index 3 into Rf in the cif file. The indices of atoms are started from 0. | 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 K2NaRfF6
_chemical_formula_sum "K2 Na1 Rf1 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... |
ChangeAtomAction | ca660b71-b568-4e1e-90a0-379b8258b74a | mp-20547 | Change the atom at index 24 into Hs in the cif file. The indices of atoms are started from 0. | 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 Ca4Fe8O12HsO3
_chemical_formula_sum "Ca4 Fe8 O15 Hs1"
_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 "... |
ChangeAtomAction | aa94f51a-d640-4294-9ee2-984b57410308 | mp-1197546 | 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 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 Ca4Cu4As4O19Cf
_chemical_formula_sum "Ca4 Cu4 As4 O19 Cf1"
_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 ... |
ChangeAtomAction | c85c9c13-f077-4532-85d8-68ae2f4990d8 | mp-1214189 | Change the atom at index 16 into Tl in the cif file. The indices of atoms are started from 0. | 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 Be6Si6C4TlC3S2O24
_chemical_formula_sum "Be6 Si6 C7 Tl1 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 ... |
ChangeAtomAction | 4d1f42d9-43d4-4c9a-8afb-b2227cab7a30 | mp-1113048 | Change the atom at index 2 into V in the cif file. The indices of atoms are started from 0. | 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 Cs2VAlF6
_chemical_formula_sum "Cs2 V1 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
_spa... |
ChangeAtomAction | eaba430a-3978-4e6e-8201-3323fae1d506 | mp-760927 | Change the atom at index 28 into Yb in the cif file. The indices of atoms are started from 0. | 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 Na4Ti4P4O16YbO3
_chemical_formula_sum "Na4 Ti4 P4 O19 Yb1"
_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 ... |
ChangeAtomAction | 6a4a815a-9770-4e74-be77-650851b49fee | mp-1539446 | Change the atom at index 11 into Mn in the cif file. The indices of atoms are started from 0. | 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 Cs4Pt2Cl5MnCl2
_chemical_formula_sum "Cs4 Pt2 Cl7 Mn1"
_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_... |
ChangeAtomAction | 9cd001bc-6195-43a1-a3fb-7c6fff4029d7 | mp-580962 | Change the atom at index 2 into Gd in the cif file. The indices of atoms are started from 0. | 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 Rb2GdC3I6N4
_chemical_formula_sum "Rb2 Gd1 C3 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"
_s... |
ChangeAtomAction | 4f7e3d4f-e4e4-44b8-a6bd-8fe6eb373a11 | mp-1207936 | Change the atom at index 22 into V in the cif file. The indices of atoms are started from 0. | 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 V4B4P8N4O2VO33
_chemical_formula_sum "V5 B4 P8 N4 O35"
_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 ... |
ChangeAtomAction | a10b2d43-186e-4857-993f-e6a3f571b937 | mp-1112206 | Change the atom at index 0 into Na in the cif file. The indices of atoms are started from 0. | 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 NaKGaHgI6
_chemical_formula_sum "Na1 K1 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 59.9999999999... |
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