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 | 95e5c3fe-7345-4828-b98f-19ad61aaf4b5 | mp-1199497 | Change the atom at index 7 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Mo12I28
_chemical_formula_sum "Cs4 Mo12 I28"
_cell_length_a 11.06858183
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4Mo3GaMo8I28
_chemical_formula_sum "Cs4 Mo11 Ga1 I28"
_cell_length_a 11.06858183
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-... |
ChangeAtomAction | 09a529e2-3eaf-410a-8cdc-3167dd3b5a52 | mp-2395 | Change the atom at index 13 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb12Rh4
_chemical_formula_sum "Sb12 Rh4"
_cell_length_a 8.06295688
_cell_length_b 8.06295689
_cell_length_c 8.06295614
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cell_angle_gamma 109.47122396000002
_space_g... | data_image0
_chemical_formula_structural Sb12RhRnRh2
_chemical_formula_sum "Sb12 Rh3 Rn1"
_cell_length_a 8.06295688
_cell_length_b 8.06295689
_cell_length_c 8.06295614
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cell_angle_gamma 109.47122396000002
... |
ChangeAtomAction | 31ec92b3-2a5d-4620-aeba-2029439d3b80 | mp-1223049 | Change the atom at index 8 into Ge in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Br3ClO4
_chemical_formula_sum "La4 Br3 Cl1 O4"
_cell_length_a 8.52979552
_cell_length_b 8.52979552
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.62807147000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural La4Br3ClGeO3
_chemical_formula_sum "La4 Br3 Cl1 Ge1 O3"
_cell_length_a 8.52979552
_cell_length_b 8.52979552
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.62807147000001
_space_group_name... |
ChangeAtomAction | 027e0a74-0b75-43d1-9a79-e18502fdaaf5 | mp-1075490 | Change the atom at index 3 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg3TeMg6Si12
_chemical_formula_sum "Mg9 Te1 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | fd993168-1279-4c71-97a1-80983923b9f2 | mp-771953 | Change the atom at index 27 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O15Ag
_chemical_formula_sum "Li4 Nb2 Ni6 O15 Ag1"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-... |
ChangeAtomAction | bce78ac8-b714-46ac-bc4f-a44993e77e4d | mp-1199329 | Change the atom at index 0 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural RnGd3P4H4C8O24
_chemical_formula_sum "Rn1 Gd3 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_... |
ChangeAtomAction | 8d5d8bb3-ad12-41e5-9322-dbb042b66772 | mp-1207972 | Change the atom at index 11 into La in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4Ti6Ge8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural U4Ti6GeLaGe6
_chemical_formula_sum "U4 Ti6 Ge7 La1"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | b5004f31-ba01-45bf-825b-8444628d1fc1 | mp-1226904 | 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 Ca2Al8Si4O22
_chemical_formula_sum "Ca2 Al8 Si4 O22"
_cell_length_a 5.4776243
_cell_length_b 5.4776243
_cell_length_c 12.837760639999999
_cell_angle_alpha 89.8173835
_cell_angle_beta 89.8173835
_cell_angle_gamma 119.97541108
_space... | data_image0
_chemical_formula_structural Ca2Al8Si4O6McO15
_chemical_formula_sum "Ca2 Al8 Si4 O21 Mc1"
_cell_length_a 5.4776243
_cell_length_b 5.4776243
_cell_length_c 12.837760639999999
_cell_angle_alpha 89.8173835
_cell_angle_beta 89.8173835
_cell_angle_gamma 119.97541108... |
ChangeAtomAction | dd2056df-f1dd-4ee3-9869-c4615f618831 | mp-759390 | Change the atom at index 10 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li10TlLiBi8P12O48
_chemical_formula_sum "Li11 Tl1 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | 8a5e6b93-067b-4a8b-8b25-c4b91bd6419c | mp-2230007 | Change the atom at index 7 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_group_... | data_image0
_chemical_formula_structural Cs4MgTi2RnAg3S8
_chemical_formula_sum "Cs4 Mg1 Ti2 Rn1 Ag3 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_... |
ChangeAtomAction | 7571313b-81bd-4815-83b6-e0967c59ffeb | mp-1228248 | Change the atom at index 2 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_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 Ba2RbBaNdYCu8O16
_chemical_formula_sum "Ba3 Rb1 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 9a46ab85-0e4a-405f-ba7b-f0f750b926e7 | mp-676599 | 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 Cu8NO11
_chemical_formula_sum "Cu8 N1 O11"
_cell_length_a 6.94565887
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma 56.77346674999999
_s... | data_image0
_chemical_formula_structural Cu5FlCu2NO11
_chemical_formula_sum "Cu7 Fl1 N1 O11"
_cell_length_a 6.94565887
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma 56.773466749... |
ChangeAtomAction | bf2e80cb-e068-442a-8b6f-da17b3f5436b | mp-1202750 | Change the atom at index 17 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12NdRu18
_chemical_formula_sum "Nd6 P12 Ru18"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M... |
ChangeAtomAction | 9a06597c-c9a4-4cb3-b947-dcd95642022b | mp-1048365 | Change the atom at index 1 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural YNpCu3O6
_chemical_formula_sum "Y1 Np1 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_spa... |
ChangeAtomAction | 452a07c1-f147-4993-b2e4-286cef16521d | mp-775212 | Change the atom at index 32 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural Mn2V4P6O20MgO3
_chemical_formula_sum "Mn2 V4 P6 O23 Mg1"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.9862898400... |
ChangeAtomAction | aa9423d9-1a10-4be0-b618-0ac83fe6a57c | mp-1245687 | Change the atom at index 32 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 Ta16Te12N4OgN3
_chemical_formula_sum "Ta16 Te12 N7 Og1"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 14f4bff3-4869-4374-a78a-e14c5d2f42b4 | mp-556409 | Change the atom at index 18 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba7Ca2Mn5O4RuO15
_chemical_formula_sum "Ba7 Ca2 Mn5 O19 Ru1"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma ... |
ChangeAtomAction | 72883136-9040-4788-8ca1-aaa7f6283617 | mp-1221261 | Change the atom at index 9 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3CaSc3ZnSi8O24
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si8 O24"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Na3CaSc3ZnSiYSi6O24
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si7 Y1 O24"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
ChangeAtomAction | 332e7d6f-abe7-42c8-a2f5-6013081264cc | mp-15203 | Change the atom at index 36 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24KrW7N32O6
_chemical_formula_sum "Li12 Ca24 Kr1 W7 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angl... |
ChangeAtomAction | 8c23112e-1127-45aa-a533-f6927199c658 | mp-1205925 | Change the atom at index 3 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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 Sm3HfIn2Au4
_chemical_formula_sum "Sm3 Hf1 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 13da88dc-11ea-43a3-a97b-4d13385d86ab | mp-27653 | Change the atom at index 21 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Al4H16
_chemical_formula_sum "Li4 Al4 H16"
_cell_length_a 7.8247
_cell_length_b 4.861909
_cell_length_c 7.87004681
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Al4H13BrH2
_chemical_formula_sum "Li4 Al4 H15 Br1"
_cell_length_a 7.8247
_cell_length_b 4.861909
_cell_length_c 7.87004681
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 180f18ee-6dde-4520-b5a0-c4b82ab770e2 | mp-557634 | Change the atom at index 25 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O11FmO12
_chemical_formula_sum "Na2 V6 P6 O23 Fm1"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_spa... |
ChangeAtomAction | 9ca85888-5d4d-414b-84d2-ffe166d6d0bc | mp-556517 | Change the atom at index 11 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Pb4O8
_chemical_formula_sum "K8 Pb4 O8"
_cell_length_a 7.32732357
_cell_length_b 7.51094697
_cell_length_c 9.97597018
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.17031928000001
_space_group_nam... | data_image0
_chemical_formula_structural K8Pb3LiO8
_chemical_formula_sum "K8 Pb3 Li1 O8"
_cell_length_a 7.32732357
_cell_length_b 7.51094697
_cell_length_c 9.97597018
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.17031928000001
_space_gro... |
ChangeAtomAction | c707c11d-9b39-42d5-ad5b-dfa67ef4ad87 | mp-1239078 | Change the atom at index 15 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_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 Ho8Bi7HfBi8C8
_chemical_formula_sum "Ho8 Bi15 Hf1 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 4e43425e-f39b-41ea-90f8-9f525194fb0f | mp-1105068 | Change the atom at index 11 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O5AlO
_chemical_formula_sum "Ba1 Y1 Fe4 O6 Al1"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_... |
ChangeAtomAction | ac1d09cb-ce2e-4a5b-b480-fa32d7ccd84e | mp-857354 | Change the atom at index 33 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiSn3SbP6O24
_chemical_formula_sum "Li1 Sn3 Sb1 P6 O24"
_cell_length_a 8.97603583
_cell_length_b 8.97603583
_cell_length_c 8.97603585
_cell_angle_alpha 58.29544487000001
_cell_angle_beta 58.29544487
_cell_angle_gamma 58.295447260000... | data_image0
_chemical_formula_structural LiSn3SbP6O22BaO
_chemical_formula_sum "Li1 Sn3 Sb1 P6 O23 Ba1"
_cell_length_a 8.97603583
_cell_length_b 8.97603583
_cell_length_c 8.97603585
_cell_angle_alpha 58.29544487000001
_cell_angle_beta 58.29544487
_cell_angle_gamma 58.29544... |
ChangeAtomAction | c7713b82-c9e8-409b-8262-e17ce3353a6a | mp-705680 | Change the atom at index 22 into Ts in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La4Mo4O14TsO3
_chemical_formula_sum "La4 Mo4 O17 Ts1"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.763029889... |
ChangeAtomAction | 9d92c3c9-56ad-4756-9a23-827fb525d46f | mp-766004 | 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 Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4CThC6O24
_chemical_formula_sum "Li8 V4 C7 Th1 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.000096... |
ChangeAtomAction | a868ddb3-979d-4dfc-af20-3f11a0b8e311 | mp-1228545 | 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 Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu4UCuO13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu5 U1 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090... |
ChangeAtomAction | e1bf36d9-72b9-48ea-8fb1-4295abfe0855 | mp-1201281 | Change the atom at index 31 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Cs4Np4Mo4O19NdO8
_chemical_formula_sum "Cs4 Np4 Mo4 O27 Nd1"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 67fcea3e-10a1-4cfb-9bf3-93e34199fb85 | mp-14485 | Change the atom at index 25 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural La2Ta14O9SmO28
_chemical_formula_sum "La2 Ta14 O37 Sm1"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999... |
ChangeAtomAction | 62ae2d86-b96b-43a2-8931-e831883bf651 | mp-696189 | Change the atom at index 37 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl2H12N6O24
_chemical_formula_sum "Tl2 H12 N6 O24"
_cell_length_a 7.88195585
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_angle_gamma 100.66059958... | data_image0
_chemical_formula_structural Tl2H12N6O17RbO6
_chemical_formula_sum "Tl2 H12 N6 O23 Rb1"
_cell_length_a 7.88195585
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_angle_gamma 100.... |
ChangeAtomAction | df32549e-f391-4f81-8702-47c593375e5c | mp-1217387 | 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 U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 5.031406
_cell_length_b 5.031406
_cell_length_c 7.612934
_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 U2Ge2LiGeRh4
_chemical_formula_sum "U2 Ge3 Li1 Rh4"
_cell_length_a 5.031406
_cell_length_b 5.031406
_cell_length_c 7.612934
_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 | 1dbd1922-32cb-41a4-94a5-d37ba4d08364 | mp-1103193 | Change the atom at index 2 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu4Al4Au4
_chemical_formula_sum "Eu4 Al4 Au4"
_cell_length_a 4.62465214
_cell_length_b 7.53465221
_cell_length_c 7.71137775
_cell_angle_alpha 90.00196137
_cell_angle_beta 89.99997352
_cell_angle_gamma 89.99999955000001
_space_group... | data_image0
_chemical_formula_structural Eu2HfEuAl4Au4
_chemical_formula_sum "Eu3 Hf1 Al4 Au4"
_cell_length_a 4.62465214
_cell_length_b 7.53465221
_cell_length_c 7.71137775
_cell_angle_alpha 90.00196137
_cell_angle_beta 89.99997352
_cell_angle_gamma 89.99999955000001
_spa... |
ChangeAtomAction | 3a4c873b-f35a-4385-9cf1-9fcd2966b215 | mp-1229180 | Change the atom at index 10 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb2LiSb2As3S16
_chemical_formula_sum "Ag8 Sb4 Li1 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_spac... |
ChangeAtomAction | 0166a920-89f6-43f1-89e2-f61612d8b109 | mp-568422 | Change the atom at index 8 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Ag2C4N4
_chemical_formula_sum "Na2 Ag2 C4 N4"
_cell_length_a 3.84354959
_cell_length_b 3.84354959
_cell_length_c 17.64199814
_cell_angle_alpha 88.71636565
_cell_angle_beta 88.71636565
_cell_angle_gamma 59.55760556999999
_space_g... | data_image0
_chemical_formula_structural Na2Ag2C4OgN3
_chemical_formula_sum "Na2 Ag2 C4 Og1 N3"
_cell_length_a 3.84354959
_cell_length_b 3.84354959
_cell_length_c 17.64199814
_cell_angle_alpha 88.71636565
_cell_angle_beta 88.71636565
_cell_angle_gamma 59.55760556999999
_s... |
ChangeAtomAction | 307fdeea-d7b1-4f78-a027-dd164f5a6f5d | mp-1213761 | Change the atom at index 16 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 Cr4Ni8B4TaO19
_chemical_formula_sum "Cr4 Ni8 B4 Ta1 O19"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 83f18f19-c8ce-41cb-a410-9f507b17d330 | mp-557801 | Change the atom at index 0 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Ba6Ca8V14Cu6O56
_chemical_formula_sum "K2 Ba6 Ca8 V14 Cu6 O56"
_cell_length_a 11.42723405
_cell_length_b 11.42723405
_cell_length_c 12.455723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000031
_space_grou... | data_image0
_chemical_formula_structural ZrKBa6Ca8V14Cu6O56
_chemical_formula_sum "Zr1 K1 Ba6 Ca8 V14 Cu6 O56"
_cell_length_a 11.42723405
_cell_length_b 11.42723405
_cell_length_c 12.455723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000031
_space... |
ChangeAtomAction | 6f9d2902-4e1b-42cb-90f3-db4dda5b0f73 | mp-1202750 | 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 Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural NaNd4P12Ru19
_chemical_formula_sum "Na1 Nd4 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name... |
ChangeAtomAction | a66a0298-7cd9-4e4a-9e9e-98beec788988 | mp-1104719 | Change the atom at index 5 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural GdAl8Fe4
_chemical_formula_sum "Gd1 Al8 Fe4"
_cell_length_a 5.103752
_cell_length_b 6.78118467
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_group_name_H-M... | data_image0
_chemical_formula_structural GdAl4LiAl3Fe4
_chemical_formula_sum "Gd1 Al7 Li1 Fe4"
_cell_length_a 5.103752
_cell_length_b 6.78118467
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_group... |
ChangeAtomAction | 952d8c5f-ee15-4e87-98d1-85f4506a104d | mp-1196042 | Change the atom at index 34 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H30HsH5Pt2N12F12
_chemical_formula_sum "Na4 H35 Hs1 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.246... |
ChangeAtomAction | 3f997c83-2a60-4a2f-a866-2cffbda4ddbe | mp-1347506 | Change the atom at index 7 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2IrWO12
_chemical_formula_sum "Mg4 Cu2 Ir1 W1 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 512ebe53-75e8-4ee4-8f7e-cb7ef5b74024 | mp-777558 | Change the atom at index 94 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li32Ti3Cr13O46PrO
_chemical_formula_sum "Li32 Ti3 Cr13 O47 Pr1"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_... |
ChangeAtomAction | cd6502d5-91af-411b-b550-31594e1f62c7 | mp-1080028 | Change the atom at index 5 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2ZrTiOIO4
_chemical_formula_sum "Sr2 Zr1 Ti1 O5 I1"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.414644... |
ChangeAtomAction | bd10a2d9-ea35-484e-b106-27c3096d6260 | mp-1175073 | Change the atom at index 15 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 8.813284
_cell_length_b 5.034429
_cell_length_c 5.11380087
_cell_angle_alpha 70.78771484
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li7Mn2Co3O3DbO8
_chemical_formula_sum "Li7 Mn2 Co3 O11 Db1"
_cell_length_a 8.813284
_cell_length_b 5.034429
_cell_length_c 5.11380087
_cell_angle_alpha 70.78771484
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 6eba27d1-1bdf-4122-a634-a7c635e34725 | mp-1228475 | Change the atom at index 23 into Fl 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 Ba10Mn2Co8O3FlO24
_chemical_formula_sum "Ba10 Mn2 Co8 O27 Fl1"
_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 | 660f2a01-3daf-4ca8-85b5-e2a995c0b5c0 | mp-505638 | Change the atom at index 38 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_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 Tb12Cr4Se22NeSe
_chemical_formula_sum "Tb12 Cr4 Se23 Ne1"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | f73c83f9-b068-46e0-a7ec-513658372248 | mp-2227274 | Change the atom at index 0 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural SgW2Br4O4
_chemical_formula_sum "Sg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... |
ChangeAtomAction | 05d95bae-a0e6-40f3-bf59-c26694683ddc | mp-773104 | Change the atom at index 12 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... | data_image0
_chemical_formula_structural Sr12CuSr11Fe16O55
_chemical_formula_sum "Sr23 Cu1 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.5083302200... |
ChangeAtomAction | 8a59c75f-18dc-4d3f-83f9-518fd3eb7a20 | mp-1644899 | Change the atom at index 38 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O20OsO3
_chemical_formula_sum "Li6 V4 C8 O23 Os1"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space... |
ChangeAtomAction | 3cd2b977-c0cc-449d-b812-ef039a84d486 | mp-1183955 | Change the atom at index 7 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4H4S4
_chemical_formula_sum "Cs4 H4 S4"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 7.45097573
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma 104.11382687999999
_... | data_image0
_chemical_formula_structural Cs4H3NaS4
_chemical_formula_sum "Cs4 H3 Na1 S4"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 7.45097573
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma 104.11382687999... |
ChangeAtomAction | 7a984920-1e55-4671-8490-cf3032a4e931 | mp-770517 | Change the atom at index 24 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_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 Li24NdLi11Al4Ni8O32
_chemical_formula_sum "Li35 Nd1 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | 0d4c5220-dac4-4e90-a698-9fd2a6072ad5 | mp-1226835 | Change the atom at index 0 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural HfCe3Al6Ru2
_chemical_formula_sum "Hf1 Ce3 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M... |
ChangeAtomAction | f3637b5d-2873-4ef1-b2c4-f85286ddfaca | mp-1182591 | Change the atom at index 9 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho3Sn7
_chemical_formula_sum "Ho3 Sn7"
_cell_length_a 14.33178552
_cell_length_b 14.33178552
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.95461124999997
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ho3Sn6At
_chemical_formula_sum "Ho3 Sn6 At1"
_cell_length_a 14.33178552
_cell_length_b 14.33178552
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.95461124999997
_space_group_name_H-M_alt ... |
ChangeAtomAction | 8aabe50e-1219-49cd-bcee-1eb722cf5dfe | mp-2526683 | 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 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 W7O15FmO5
_chemical_formula_sum "W7 O20 Fm1"
_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 | a7b86d0d-815e-4ada-a344-af4c014f4664 | mp-1245329 | Change the atom at index 40 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.34094743
_cell_length_b 12.19680335
_cell_length_c 12.54310877
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sn40FrO39
_chemical_formula_sum "Sn40 Fr1 O39"
_cell_length_a 11.34094743
_cell_length_b 12.19680335
_cell_length_c 12.54310877
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
_space_group_nam... |
ChangeAtomAction | 8d4a94c5-be58-43e0-aef6-bdfc15435219 | mp-568040 | Change the atom at index 6 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2AlNi9
_chemical_formula_sum "La2 Al1 Ni9"
_cell_length_a 4.95176912
_cell_length_b 4.95172729
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angle_gamma 119.08056806
_space_group_name_... | data_image0
_chemical_formula_structural La2AlNi3NNi5
_chemical_formula_sum "La2 Al1 Ni8 N1"
_cell_length_a 4.95176912
_cell_length_b 4.95172729
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angle_gamma 119.08056806
_space_grou... |
ChangeAtomAction | 03834812-1450-42d6-97fd-83c4e2a37f24 | mp-1234087 | Change the atom at index 31 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn4Cu2P6O24
_chemical_formula_sum "Mg1 Mn4 Cu2 P6 O24"
_cell_length_a 8.35917693
_cell_length_b 8.30749622
_cell_length_c 9.38006093
_cell_angle_alpha 59.20311101
_cell_angle_beta 58.79414886
_cell_angle_gamma 62.36155787999999
_... | data_image0
_chemical_formula_structural MgMn4Cu2P6O18IO5
_chemical_formula_sum "Mg1 Mn4 Cu2 P6 O23 I1"
_cell_length_a 8.35917693
_cell_length_b 8.30749622
_cell_length_c 9.38006093
_cell_angle_alpha 59.20311101
_cell_angle_beta 58.79414886
_cell_angle_gamma 62.36155787999... |
ChangeAtomAction | e3815e21-d04e-47fd-a6db-0a4064e896b4 | mp-17177 | Change the atom at index 2 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb8Zn4O24
_chemical_formula_sum "Nb8 Zn4 O24"
_cell_length_a 5.05574439
_cell_length_b 5.76456888
_cell_length_c 14.2852666
_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 Nb2SrNb5Zn4O24
_chemical_formula_sum "Nb7 Sr1 Zn4 O24"
_cell_length_a 5.05574439
_cell_length_b 5.76456888
_cell_length_c 14.2852666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | ce04c990-e82b-4f12-b744-b7fa401c3aa2 | mp-24064 | Change the atom at index 4 into Cm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P4H4F8
_chemical_formula_sum "P4 H4 F8"
_cell_length_a 4.68248
_cell_length_b 6.537462
_cell_length_c 8.127723
_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_n... | data_image0
_chemical_formula_structural P4CmH3F8
_chemical_formula_sum "P4 Cm1 H3 F8"
_cell_length_a 4.68248
_cell_length_b 6.537462
_cell_length_c 8.127723
_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... |
ChangeAtomAction | 7a1d438c-ffb6-46e4-9d76-6d2a29ebb322 | mp-1022213 | Change the atom at index 5 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Nb2Fe2
_chemical_formula_sum "Mg12 Nb2 Fe2"
_cell_length_a 4.830719
_cell_length_b 5.726148
_cell_length_c 10.908532
_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 Mg5CoMg6Nb2Fe2
_chemical_formula_sum "Mg11 Co1 Nb2 Fe2"
_cell_length_a 4.830719
_cell_length_b 5.726148
_cell_length_c 10.908532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 21f3436f-8ba2-4da2-9719-ff8dc91e75af | mp-1112234 | Change the atom at index 6 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural K2GaHgF2CF3
_chemical_formula_sum "K2 Ga1 Hg1 F5 C1"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
ChangeAtomAction | 6e6659c3-9e97-47aa-9f44-151981a9c592 | mp-607816 | Change the atom at index 1 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural USrU2Fe4Ge4
_chemical_formula_sum "U3 Sr1 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 181fb0cd-2c17-4b4e-bd73-b8befd00ae84 | mp-1043054 | Change the atom at index 22 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_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 Ti4Zn4Ni4P8O2SbO33
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O35 Sb1"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | c3ccb99c-233f-42d4-8df8-5e7feb5d0f1b | mp-1195664 | Change the atom at index 26 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8P28Br4
_chemical_formula_sum "Sr8 P28 Br4"
_cell_length_a 9.88982955
_cell_length_b 9.88982955
_cell_length_c 9.88982955
_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 Sr8P18CrP9Br4
_chemical_formula_sum "Sr8 P27 Cr1 Br4"
_cell_length_a 9.88982955
_cell_length_b 9.88982955
_cell_length_c 9.88982955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 7b195e72-22cf-41d1-beed-267189a8bca3 | mp-28355 | Change the atom at index 13 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ge4Se10
_chemical_formula_sum "Na8 Ge4 Se10"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_space_gro... | data_image0
_chemical_formula_structural Na8Ge4SeCrSe8
_chemical_formula_sum "Na8 Ge4 Se9 Cr1"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_spa... |
ChangeAtomAction | 1cd8ee0e-6c51-4b53-b676-66ed796dca23 | mp-755078 | 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 Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... | data_image0
_chemical_formula_structural Sr2NTi5N2O11
_chemical_formula_sum "Sr2 N3 Ti5 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998... |
ChangeAtomAction | f5c3a935-f53d-49f4-97da-a1b4b8f34a18 | mp-2218385 | Change the atom at index 12 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MgMn4O4F3Ce
_chemical_formula_sum "Mg1 Mn4 O4 F3 Ce1"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_spa... |
ChangeAtomAction | 058fa045-cb32-4ec9-a4c4-6b3216c86480 | mp-568987 | Change the atom at index 0 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Be2H8
_chemical_formula_sum "Na4 Be2 H8"
_cell_length_a 4.93980793
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural TeNa3Be2H8
_chemical_formula_sum "Te1 Na3 Be2 H8"
_cell_length_a 4.93980793
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | c18af8fc-4894-4afc-a940-c07f814fb9b6 | mp-1188599 | Change the atom at index 9 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd6Sb8Au6
_chemical_formula_sum "Gd6 Sb8 Au6"
_cell_length_a 8.66466557
_cell_length_b 8.66466557
_cell_length_c 8.66466557
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Gd6Sb3USb4Au6
_chemical_formula_sum "Gd6 Sb7 U1 Au6"
_cell_length_a 8.66466557
_cell_length_b 8.66466557
_cell_length_c 8.66466557
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... |
ChangeAtomAction | 8ecc55ef-ed4c-458c-912f-4080af9ee02c | mp-1214189 | Change the atom at index 7 into Li 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 Be6SiLiSi4C8S2O24
_chemical_formula_sum "Be6 Si5 Li1 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 ... |
ChangeAtomAction | 8e9b0b12-4056-4e58-ad01-0982da8dc7a0 | mp-981356 | Change the atom at index 4 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ZrFe6Ge6
_chemical_formula_sum "Zr1 Fe6 Ge6"
_cell_length_a 5.06194756
_cell_length_b 5.06194905
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.99898177999998
_space... | data_image0
_chemical_formula_structural ZrFe3RbFe2Ge6
_chemical_formula_sum "Zr1 Fe5 Rb1 Ge6"
_cell_length_a 5.06194756
_cell_length_b 5.06194905
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.9989817799999... |
ChangeAtomAction | 082719e6-8f1d-4315-9b65-28beec67987a | mp-697575 | Change the atom at index 22 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 Rb8Zn4H10OgH5
_chemical_formula_sum "Rb8 Zn4 H15 Og1"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | bface962-793b-4b5a-9a8b-e2d3e42c1141 | mp-1233200 | Change the atom at index 16 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... | data_image0
_chemical_formula_structural MgMn6O4F5BF2
_chemical_formula_sum "Mg1 Mn6 O4 F7 B1"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_gro... |
ChangeAtomAction | 51888c53-a2eb-48a4-a4db-dde0c4f0cf76 | mp-1179727 | Change the atom at index 47 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rh12S12Cl60
_chemical_formula_sum "Rh12 S12 Cl60"
_cell_length_a 13.90672218
_cell_length_b 13.906722179999997
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_cell_angle_beta 61.93167552999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rh12S12Cl23UCl36
_chemical_formula_sum "Rh12 S12 Cl59 U1"
_cell_length_a 13.90672218
_cell_length_b 13.906722179999997
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_cell_angle_beta 61.93167552999999
_cell_angl... |
ChangeAtomAction | c9742635-b96c-4061-8957-a5a4103214fd | mp-1215706 | Change the atom at index 2 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ZnCuW2O8
_chemical_formula_sum "Zn1 Cu1 W2 O8"
_cell_length_a 4.745246
_cell_length_b 5.01087319
_cell_length_c 5.88285058
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.01154898000001
_cell_angle_gamma 87.1501431
_space_group_na... | data_image0
_chemical_formula_structural ZnCuIWO8
_chemical_formula_sum "Zn1 Cu1 I1 W1 O8"
_cell_length_a 4.745246
_cell_length_b 5.01087319
_cell_length_c 5.88285058
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.01154898000001
_cell_angle_gamma 87.1501431
_space_group... |
ChangeAtomAction | 1e1e6669-2146-4f4f-b644-bc6374b2c326 | mp-771831 | Change the atom at index 10 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8La4Cl28
_chemical_formula_sum "Sr8 La4 Cl28"
_cell_length_a 13.353074
_cell_length_b 7.20691
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr8La2ArLaCl28
_chemical_formula_sum "Sr8 La3 Ar1 Cl28"
_cell_length_a 13.353074
_cell_length_b 7.20691
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | 29d45f93-9abd-4b4b-a684-fbed1c0826ad | mp-1233037 | Change the atom at index 13 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaTb4Al2Fe2O12
_chemical_formula_sum "Ca1 Tb4 Al2 Fe2 O12"
_cell_length_a 6.14280864
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_cell_angle_gamma 91.98623958
_space... | data_image0
_chemical_formula_structural CaTb4Al2Fe2O4NpO7
_chemical_formula_sum "Ca1 Tb4 Al2 Fe2 O11 Np1"
_cell_length_a 6.14280864
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_cell_angle_gamma 91.98623958
... |
ChangeAtomAction | e3a259be-06f4-4acc-90ac-b9d6ca5095fa | mp-558219 | Change the atom at index 20 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Li2B6S12
_chemical_formula_sum "Sr2 Li2 B6 S12"
_cell_length_a 8.73321635
_cell_length_b 8.73321635
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_space_group_... | data_image0
_chemical_formula_structural Sr2Li2B6S10ZnS
_chemical_formula_sum "Sr2 Li2 B6 S11 Zn1"
_cell_length_a 8.73321635
_cell_length_b 8.73321635
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_space... |
ChangeAtomAction | e1443616-6703-42ba-8121-700cf6e549f6 | mp-1173973 | Change the atom at index 10 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... | data_image0
_chemical_formula_structural Li5Mn2CoO2BO5
_chemical_formula_sum "Li5 Mn2 Co1 O7 B1"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431... |
ChangeAtomAction | 0be63fdf-7b4b-4902-88c7-a27363807ed0 | mp-1049235 | Change the atom at index 19 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O11Rh
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O11 Rh1"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
ChangeAtomAction | 8db3f42d-8b4f-4afa-94a9-2fa2e823017a | mp-572465 | Change the atom at index 31 into Pb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S15PbS8
_chemical_formula_sum "Cr4 Cu4 P8 S23 Pb1"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | 093b4bcd-2ab7-4476-bb8b-3800c2fa9c13 | mp-1188256 | Change the atom at index 18 into Rg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 U4Ni4Se10RgSe
_chemical_formula_sum "U4 Ni4 Se11 Rg1"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 | be4c951d-caa6-49d0-b0c7-79214944d708 | mp-1201935 | Change the atom at index 29 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H13RuH2O28
_chemical_formula_sum "K8 P8 H15 Ru1 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | d1a1163f-6df2-401a-bb4f-a5bbfe29188e | mp-8762 | Change the atom at index 1 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural ErFlEr6S8O4
_chemical_formula_sum "Er7 Fl1 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | d0066e72-b384-44e8-bcf1-8430f6c7d36b | mp-1195020 | Change the atom at index 26 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P8Se10XeSe13
_chemical_formula_sum "Pr4 Tl4 P8 Se23 Xe1"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | 9628b067-e08a-4bd9-a3d7-d4b44af7d535 | mp-756349 | Change the atom at index 23 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn3CuP4O16
_chemical_formula_sum "Mn3 Cu1 P4 O16"
_cell_length_a 6.009187
_cell_length_b 4.904914
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mn3CuP4O15Po
_chemical_formula_sum "Mn3 Cu1 P4 O15 Po1"
_cell_length_a 6.009187
_cell_length_b 4.904914
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 125d7da8-5995-4416-b285-8c4d87e2e511 | mp-1328951 | Change the atom at index 41 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta8Mn4Zn4O32
_chemical_formula_sum "Ta8 Mn4 Zn4 O32"
_cell_length_a 5.0959081
_cell_length_b 5.74841374
_cell_length_c 19.66740339
_cell_angle_alpha 90.00850828
_cell_angle_beta 83.7842863
_cell_angle_gamma 90.00567482000001
_space... | data_image0
_chemical_formula_structural Ta8Mn4Zn4O25ThO6
_chemical_formula_sum "Ta8 Mn4 Zn4 O31 Th1"
_cell_length_a 5.0959081
_cell_length_b 5.74841374
_cell_length_c 19.66740339
_cell_angle_alpha 90.00850828
_cell_angle_beta 83.7842863
_cell_angle_gamma 90.00567482000001... |
ChangeAtomAction | 102c4c96-3b9d-483c-9d08-2357b9eb14de | mp-1245786 | Change the atom at index 25 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_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 In12Ga8N5NbN10
_chemical_formula_sum "In12 Ga8 N15 Nb1"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | d6f50581-116d-4698-868c-4c4697845cbc | mp-753939 | Change the atom at index 4 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Sn4P4O16
_chemical_formula_sum "Li4 Sn4 P4 O16"
_cell_length_a 4.868779
_cell_length_b 7.169465
_cell_length_c 10.870271
_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 Li4RfSn3P4O16
_chemical_formula_sum "Li4 Rf1 Sn3 P4 O16"
_cell_length_a 4.868779
_cell_length_b 7.169465
_cell_length_c 10.870271
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 7452ff0b-1006-4324-bfbf-a5bb422b5e71 | mp-752419 | Change the atom at index 3 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr3NiCa4I16
_chemical_formula_sum "Sr3 Ni1 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | ca2b3752-21e9-4bd5-a142-218e50d97b99 | mp-1026593 | Change the atom at index 6 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CsMg14W
_chemical_formula_sum "Cs1 Mg14 W1"
_cell_length_a 6.45874453
_cell_length_b 6.458744000000001
_cell_length_c 10.66315161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000273999999
_space_group_name_H... | data_image0
_chemical_formula_structural CsMg5LrMg8W
_chemical_formula_sum "Cs1 Mg13 Lr1 W1"
_cell_length_a 6.45874453
_cell_length_b 6.458744000000001
_cell_length_c 10.66315161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000273999999
_space_grou... |
ChangeAtomAction | 7c5e2ba0-41f3-4a69-a2e3-5ee53fa9296b | mp-2753 | Change the atom at index 7 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl16S12
_chemical_formula_sum "Tl16 S12"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 13.09186851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tl7TaTl8S12
_chemical_formula_sum "Tl15 Ta1 S12"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 13.09186851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_... |
ChangeAtomAction | dd311542-8c37-4af0-ad98-6e6ce01b3f03 | mp-1201334 | Change the atom at index 8 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH7SgH12PdC4N4O12
_chemical_formula_sum "Ni1 H19 Sg1 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space... |
ChangeAtomAction | fd69d65a-89e6-4e4c-b4af-a62c622692f1 | mp-1246366 | 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 Zr2Cr2Ag2S8
_chemical_formula_sum "Zr2 Cr2 Ag2 S8"
_cell_length_a 7.14491313
_cell_length_b 6.122022969999999
_cell_length_c 6.56542107
_cell_angle_alpha 92.21634455
_cell_angle_beta 89.99909616
_cell_angle_gamma 90.00027732999999
... | data_image0
_chemical_formula_structural ZrThCr2Ag2S8
_chemical_formula_sum "Zr1 Th1 Cr2 Ag2 S8"
_cell_length_a 7.14491313
_cell_length_b 6.122022969999999
_cell_length_c 6.56542107
_cell_angle_alpha 92.21634455
_cell_angle_beta 89.99909616
_cell_angle_gamma 90.00027732999... |
ChangeAtomAction | f236511d-1be2-45f5-a5e3-9f633f082c9d | mp-756744 | Change the atom at index 13 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6BWB4O18
_chemical_formula_sum "Li6 Co6 B5 W1 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.046... |
ChangeAtomAction | 18a52ddb-efda-4af4-b697-84bacaf8a919 | mp-1233814 | Change the atom at index 18 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgCr8P4O5EuO14
_chemical_formula_sum "Mg1 Cr8 P4 O19 Eu1"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | 2f0c53b0-af85-441f-a83a-384c19d038cc | mp-6955 | Change the atom at index 4 into Pd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 K4PdGe3N4O4
_chemical_formula_sum "K4 Pd1 Ge3 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 | 168e42b1-cfdd-421f-8fab-934572f94b0c | mp-1046251 | Change the atom at index 4 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4PZn3W2O16
_chemical_formula_sum "Ta4 P1 Zn3 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_spa... |
ChangeAtomAction | 99d47744-511e-42a6-8d2e-289dcc557faa | mp-1229067 | Change the atom at index 6 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... | data_image0
_chemical_formula_structural Ba6BkBa3Y5Cu15O32
_chemical_formula_sum "Ba9 Bk1 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma ... |
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