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 | db6478ee-5413-41ee-9700-3eb2baa2f3ce | mp-541971 | Change the atom at index 11 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm2Ni12P7
_chemical_formula_sum "Tm2 Ni12 P7"
_cell_length_a 8.95021444
_cell_length_b 8.95019988
_cell_length_c 3.6448585100000006
_cell_angle_alpha 89.99999178
_cell_angle_beta 90.00000702
_cell_angle_gamma 119.99714150999999
_sp... | data_image0
_chemical_formula_structural Tm2Ni9PuNi2P7
_chemical_formula_sum "Tm2 Ni11 Pu1 P7"
_cell_length_a 8.95021444
_cell_length_b 8.95019988
_cell_length_c 3.6448585100000006
_cell_angle_alpha 89.99999178
_cell_angle_beta 90.00000702
_cell_angle_gamma 119.99714150999... |
ChangeAtomAction | 9ff8771b-5ffb-47d2-8859-920ddc323fa9 | mp-1247520 | 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 Ca6Re4N8
_chemical_formula_sum "Ca6 Re4 N8"
_cell_length_a 7.07157795
_cell_length_b 9.1900106
_cell_length_c 5.36736206
_cell_angle_alpha 90.00000385
_cell_angle_beta 93.61192825000002
_cell_angle_gamma 130.52539222
_space_group_n... | data_image0
_chemical_formula_structural Ca3MgCa2Re4N8
_chemical_formula_sum "Ca5 Mg1 Re4 N8"
_cell_length_a 7.07157795
_cell_length_b 9.1900106
_cell_length_c 5.36736206
_cell_angle_alpha 90.00000385
_cell_angle_beta 93.61192825000002
_cell_angle_gamma 130.52539222
_spac... |
ChangeAtomAction | 6d4bd16c-88ce-42eb-8cba-0e7fe0b585a2 | mp-1172905 | Change the atom at index 4 into Md in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3BiMdBiS6
_chemical_formula_sum "Ag3 Bi2 Md1 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt ... |
ChangeAtomAction | 8c06f184-65a7-468c-81c6-d3341d223c21 | mp-772276 | Change the atom at index 8 into Be in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... | data_image0
_chemical_formula_structural Cr4P4BeO19
_chemical_formula_sum "Cr4 P4 Be1 O19"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059... |
ChangeAtomAction | 85976c2e-c6d9-45d7-b8c2-fd5f7d0a2b70 | mp-28092 | Change the atom at index 68 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H28TlH23O2
_chemical_formula_sum "B40 H51 Tl1 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_g... |
ChangeAtomAction | 3a9e7505-abe7-4b4f-a282-82d1dbfb264d | mp-1519716 | Change the atom at index 34 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_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 Pr4Mg4Bi8O18ZnO5
_chemical_formula_sum "Pr4 Mg4 Bi8 O23 Zn1"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 3b5f3db4-3261-4ff9-872c-816e5c223545 | mp-1197452 | Change the atom at index 26 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ni4P4C18DbCO8
_chemical_formula_sum "Ni4 P4 C19 Db1 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_a... |
ChangeAtomAction | 9ef166f7-b55f-4d6f-8a3f-fd4f11a65f60 | mp-1227514 | Change the atom at index 20 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O10CsO3
_chemical_formula_sum "Ca4 Ga4 Ge2 O13 Cs1"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
ChangeAtomAction | 14dfcd02-8500-4702-ae5e-87fa266ee66f | mp-17461 | 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 Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na4Ti4P8O6VO21
_chemical_formula_sum "Na4 Ti4 P8 O27 V1"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | 3a2f2dbf-5bda-4e57-8ba5-ef20b0e5f7d0 | mp-1179245 | Change the atom at index 28 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12O10InO9
_chemical_formula_sum "V6 H12 O19 In1"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_g... |
ChangeAtomAction | ba205efa-0b11-4910-9ce7-08be81e39bef | mp-1397105 | Change the atom at index 16 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Nb6Cu2Cl18
_chemical_formula_sum "Rb2 Nb6 Cu2 Cl18"
_cell_length_a 9.455724
_cell_length_b 9.47075796
_cell_length_c 9.47459431
_cell_angle_alpha 119.70891577000002
_cell_angle_beta 105.57744098
_cell_angle_gamma 95.73010008
_sp... | data_image0
_chemical_formula_structural Rb2Nb6Cu2Cl6TbCl11
_chemical_formula_sum "Rb2 Nb6 Cu2 Cl17 Tb1"
_cell_length_a 9.455724
_cell_length_b 9.47075796
_cell_length_c 9.47459431
_cell_angle_alpha 119.70891577000002
_cell_angle_beta 105.57744098
_cell_angle_gamma 95.7301... |
ChangeAtomAction | e89133f8-0191-45f8-8373-ce8802bcec7a | mp-1199467 | Change the atom at index 28 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_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 Lu20Ge8GdGe7
_chemical_formula_sum "Lu20 Ge15 Gd1"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | efc23069-9915-404c-98d1-ca7750853910 | mp-569786 | Change the atom at index 17 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er8Pb4Se16
_chemical_formula_sum "Er8 Pb4 Se16"
_cell_length_a 4.112409
_cell_length_b 12.567483
_cell_length_c 14.943412
_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 Er8Pb4Se5CeSe10
_chemical_formula_sum "Er8 Pb4 Se15 Ce1"
_cell_length_a 4.112409
_cell_length_b 12.567483
_cell_length_c 14.943412
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | f1086165-c4dc-436e-8cd1-53a5b5cb3bd2 | mp-1197733 | Change the atom at index 43 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4S8O36
_chemical_formula_sum "Mg4 S8 O36"
_cell_length_a 6.761775
_cell_length_b 8.274607
_cell_length_c 12.573329
_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 Mg4S8O31IrO4
_chemical_formula_sum "Mg4 S8 O35 Ir1"
_cell_length_a 6.761775
_cell_length_b 8.274607
_cell_length_c 12.573329
_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 | 91a13d68-ffcc-4bd4-aab8-98a6fa7d030d | mp-736227 | Change the atom at index 3 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C16N16
_chemical_formula_sum "C16 N16"
_cell_length_a 4.429825
_cell_length_b 9.562066
_cell_length_c 18.58444721
_cell_angle_alpha 75.86542616
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural C3OC12N16
_chemical_formula_sum "C15 O1 N16"
_cell_length_a 4.429825
_cell_length_b 9.562066
_cell_length_c 18.58444721
_cell_angle_alpha 75.86542616
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | c29e304d-5a49-4b71-920d-0a5fd78030bd | mp-1049235 | Change the atom at index 4 into Ne 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 La2Ta2NeZnCr2O12
_chemical_formula_sum "La2 Ta2 Ne1 Zn1 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_gro... |
ChangeAtomAction | 608522c5-4e29-44f8-b22a-41ffc6cfda28 | mp-1177049 | Change the atom at index 15 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... | data_image0
_chemical_formula_structural Li6Co3NiP5CO24
_chemical_formula_sum "Li6 Co3 Ni1 P5 C1 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_spac... |
ChangeAtomAction | 34f3b1ca-a8e8-467f-ac6b-8e5eafedcf5c | mp-2715503 | Change the atom at index 50 into Ce 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 Na12Sc4Si4Ge4P8O18CeO29
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O47 Ce1"
_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 9... |
ChangeAtomAction | 700abcd8-9293-4665-a964-e333d9354b4d | mp-12885 | Change the atom at index 4 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... | data_image0
_chemical_formula_structural BaAl2SbMoO7
_chemical_formula_sum "Ba1 Al2 Sb1 Mo1 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36... |
ChangeAtomAction | ff43b57e-e57c-4e36-82cc-2faacad1da97 | mp-540706 | Change the atom at index 12 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... | data_image0
_chemical_formula_structural Na4Nb8MgO21
_chemical_formula_sum "Na4 Nb8 Mg1 O21"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.209279... |
ChangeAtomAction | 0288e1de-9379-42dd-9600-d4fa5696f53f | mp-1588 | Change the atom at index 2 into Tm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C22F14
_chemical_formula_sum "C22 F14"
_cell_length_a 6.13417845
_cell_length_b 6.134178450000001
_cell_length_c 13.79451585
_cell_angle_alpha 85.79723518
_cell_angle_beta 85.79723518
_cell_angle_gamma 82.00049108
_space_group_name... | data_image0
_chemical_formula_structural C2TmC19F14
_chemical_formula_sum "C21 Tm1 F14"
_cell_length_a 6.13417845
_cell_length_b 6.134178450000001
_cell_length_c 13.79451585
_cell_angle_alpha 85.79723518
_cell_angle_beta 85.79723518
_cell_angle_gamma 82.00049108
_space_gr... |
ChangeAtomAction | 15adebcd-fdb7-47de-aa9a-1622b2d4f2d7 | mp-1219046 | Change the atom at index 8 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn4Sb2S4I6
_chemical_formula_sum "Sn4 Sb2 S4 I6"
_cell_length_a 7.7761768
_cell_length_b 7.7761768
_cell_length_c 17.461303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.68845972000003
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Sn4Sb2S2EuSI6
_chemical_formula_sum "Sn4 Sb2 S3 Eu1 I6"
_cell_length_a 7.7761768
_cell_length_b 7.7761768
_cell_length_c 17.461303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.68845972000003
_space_group_name_... |
ChangeAtomAction | 8c140486-6408-47d7-bccc-a36d599c2ccd | mp-1177331 | Change the atom at index 2 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4MnCrO6
_chemical_formula_sum "Li4 Mn1 Cr1 O6"
_cell_length_a 5.00452286
_cell_length_b 5.00451943
_cell_length_c 5.11410777
_cell_angle_alpha 99.90005629
_cell_angle_beta 99.8991431
_cell_angle_gamma 119.41151240999999
_space_gr... | data_image0
_chemical_formula_structural Li2SgLiMnCrO6
_chemical_formula_sum "Li3 Sg1 Mn1 Cr1 O6"
_cell_length_a 5.00452286
_cell_length_b 5.00451943
_cell_length_c 5.11410777
_cell_angle_alpha 99.90005629
_cell_angle_beta 99.8991431
_cell_angle_gamma 119.41151240999999
_... |
ChangeAtomAction | bdca152c-c7b1-40b6-a0fa-8153e1710ee0 | mp-1028157 | Change the atom at index 4 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg4BaMg9MnCu
_chemical_formula_sum "Mg13 Ba1 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_a... |
ChangeAtomAction | 3b4322a6-1e66-46a3-941f-b52966abe813 | mp-556659 | Change the atom at index 4 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La12Ti4Cl20O16
_chemical_formula_sum "La12 Ti4 Cl20 O16"
_cell_length_a 4.082481
_cell_length_b 14.804852
_cell_length_c 16.954473
_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 La4AmLa7Ti4Cl20O16
_chemical_formula_sum "La11 Am1 Ti4 Cl20 O16"
_cell_length_a 4.082481
_cell_length_b 14.804852
_cell_length_c 16.954473
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 50c4380c-06d2-4c38-86c2-d834860c650b | mp-1245478 | Change the atom at index 8 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe4FrFe3N12
_chemical_formula_sum "Cr4 Fe7 Fr1 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_gr... |
ChangeAtomAction | c629cf4f-1199-4644-b7c1-671574874fc7 | mp-1177387 | Change the atom at index 21 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... | data_image0
_chemical_formula_structural Li8V6P7AsP8O58
_chemical_formula_sum "Li8 V6 P15 As1 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_... |
ChangeAtomAction | 3a6c9268-72c7-416f-868c-f06335b8c027 | mp-753678 | Change the atom at index 21 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaW6O18
_chemical_formula_sum "Ba1 W6 O18"
_cell_length_a 7.4074885
_cell_length_b 7.4074885
_cell_length_c 7.61895556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000361000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaW6O14SO3
_chemical_formula_sum "Ba1 W6 O17 S1"
_cell_length_a 7.4074885
_cell_length_b 7.4074885
_cell_length_c 7.61895556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000361000001
_space_group_name_H-M_al... |
ChangeAtomAction | a9fe365e-2f67-4e56-b0f2-9b9e7e6cafaf | mp-1522146 | Change the atom at index 21 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Na4Ce4Nb4O24
_chemical_formula_sum "Ba4 Na4 Ce4 Nb4 O24"
_cell_length_a 8.50927686
_cell_length_b 8.52224338
_cell_length_c 8.47541748
_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 Ba4Na4Ce4Nb4O5WO18
_chemical_formula_sum "Ba4 Na4 Ce4 Nb4 O23 W1"
_cell_length_a 8.50927686
_cell_length_b 8.52224338
_cell_length_c 8.47541748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | 364dea25-581a-4607-b1c7-726452fc42c2 | mp-1111777 | Change the atom at index 2 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CsRb2SbCl6
_chemical_formula_sum "Cs1 Rb2 Sb1 Cl6"
_cell_length_a 8.36523586
_cell_length_b 8.36523586
_cell_length_c 8.36523586
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural CsRbGaSbCl6
_chemical_formula_sum "Cs1 Rb1 Ga1 Sb1 Cl6"
_cell_length_a 8.36523586
_cell_length_b 8.36523586
_cell_length_c 8.36523586
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
ChangeAtomAction | 4156e6cf-6037-481a-b6e7-fabd63471d08 | mp-760791 | Change the atom at index 42 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Cu10F34
_chemical_formula_sum "Li8 Cu10 F34"
_cell_length_a 6.453074
_cell_length_b 9.49745902
_cell_length_c 11.37776213
_cell_angle_alpha 103.388009
_cell_angle_beta 94.93763275
_cell_angle_gamma 109.50856340999998
_space_grou... | data_image0
_chemical_formula_structural Li8Cu10F24SmF9
_chemical_formula_sum "Li8 Cu10 F33 Sm1"
_cell_length_a 6.453074
_cell_length_b 9.49745902
_cell_length_c 11.37776213
_cell_angle_alpha 103.388009
_cell_angle_beta 94.93763275
_cell_angle_gamma 109.50856340999998
_sp... |
ChangeAtomAction | 31a470b4-7e4e-4847-b181-582fd15dd1ce | mp-1236434 | Change the atom at index 12 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S2ReSO4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S3 Re1 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93... |
ChangeAtomAction | 2dc09037-a29a-4f02-a097-ac509f90baa7 | mp-766011 | Change the atom at index 2 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li2FlVCrP2H2O10
_chemical_formula_sum "Li2 Fl1 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma ... |
ChangeAtomAction | 02a780de-b3d8-4092-9a4d-eb422f30d532 | mp-1193261 | 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 Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cs3NiH4C4N8O8
_chemical_formula_sum "Cs3 Ni1 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | ceb29807-4b8e-40ed-b69d-2c5856325a53 | mp-600154 | Change the atom at index 36 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural K4Cu2H16C8O6CoO17
_chemical_formula_sum "K4 Cu2 H16 C8 O23 Co1"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
ChangeAtomAction | 0807d8de-773e-4105-b7ed-1bd36724e1d1 | mp-1173945 | Change the atom at index 8 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... | data_image0
_chemical_formula_structural Li6Mn2XeMnO10
_chemical_formula_sum "Li6 Mn3 Xe1 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_s... |
ChangeAtomAction | 96f4b79e-0fb0-49a0-b1be-c3389bb98cd6 | mp-1110982 | Change the atom at index 0 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2NaCeF6
_chemical_formula_sum "Cs2 Na1 Ce1 F6"
_cell_length_a 6.63440109
_cell_length_b 6.63440109
_cell_length_c 6.63440109
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural RaCsNaCeF6
_chemical_formula_sum "Ra1 Cs1 Na1 Ce1 F6"
_cell_length_a 6.63440109
_cell_length_b 6.63440109
_cell_length_c 6.63440109
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
ChangeAtomAction | 54391e37-d4f5-4ee9-8510-e3a426fbf35c | mp-1034441 | Change the atom at index 17 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_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 Mg14CrSnOAsO14
_chemical_formula_sum "Mg14 Cr1 Sn1 O15 As1"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 19f10923-7ec2-4ba0-88ef-c64604df6d11 | mp-18288 | Change the atom at index 10 into Dy in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Sn8O16
_chemical_formula_sum "Ti4 Sn8 O16"
_cell_length_a 8.53328795
_cell_length_b 8.53328795
_cell_length_c 5.93015972
_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 Ti4Sn6DySnO16
_chemical_formula_sum "Ti4 Sn7 Dy1 O16"
_cell_length_a 8.53328795
_cell_length_b 8.53328795
_cell_length_c 5.93015972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 008a27d8-f387-4393-97e2-4391259ad6fd | mp-1520090 | Change the atom at index 7 into Bi in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiLaFe4O12
_chemical_formula_sum "Li1 La1 Fe4 O12"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiLaFe4OBiO10
_chemical_formula_sum "Li1 La1 Fe4 O11 Bi1"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_n... |
ChangeAtomAction | ad7d1565-cfa6-4f9b-9adf-cce1871e88da | mp-1100809 | Change the atom at index 6 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr3Cu6Cl18
_chemical_formula_sum "Zr3 Cu6 Cl18"
_cell_length_a 11.35578116
_cell_length_b 10.99052115
_cell_length_c 6.05785421
_cell_angle_alpha 90.19196004
_cell_angle_beta 90.67373892
_cell_angle_gamma 120.31682264999999
_space_... | data_image0
_chemical_formula_structural Zr3Cu3PCu2Cl18
_chemical_formula_sum "Zr3 Cu5 P1 Cl18"
_cell_length_a 11.35578116
_cell_length_b 10.99052115
_cell_length_c 6.05785421
_cell_angle_alpha 90.19196004
_cell_angle_beta 90.67373892
_cell_angle_gamma 120.31682264999999
... |
ChangeAtomAction | 220656f2-4e76-426a-8cca-6b3877835cd3 | mp-1030723 | Change the atom at index 9 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te2Mo3WSe2S4
_chemical_formula_sum "Te2 Mo3 W1 Se2 S4"
_cell_length_a 3.3072276
_cell_length_b 3.3072276
_cell_length_c 37.574663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999196
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Te2Mo3WSe2SDbS2
_chemical_formula_sum "Te2 Mo3 W1 Se2 S3 Db1"
_cell_length_a 3.3072276
_cell_length_b 3.3072276
_cell_length_c 37.574663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999196
_space_group_name_... |
ChangeAtomAction | cb0fb4c9-5f97-47eb-9098-ef03809789df | mp-1195679 | Change the atom at index 21 into Dy in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O3DyO26
_chemical_formula_sum "Cs4 Th2 Si12 O29 Dy1"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_... |
ChangeAtomAction | 318c5272-a64e-4114-98cd-e12306627f3a | mp-3855 | Change the atom at index 24 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F12TcF3
_chemical_formula_sum "Na8 Be4 F15 Tc1"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | d4ca6340-427b-40f6-ae40-4b72988f493b | mp-1224658 | Change the atom at index 15 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe11RbFe22C2
_chemical_formula_sum "Ho4 Fe33 Rb1 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | 9578a7e3-0d5f-4b98-aa80-1cf0c1ca5592 | mp-765689 | Change the atom at index 22 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co6O4F12
_chemical_formula_sum "Li8 Co6 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999
... | data_image0
_chemical_formula_structural Li8Co6O4F4RnF7
_chemical_formula_sum "Li8 Co6 O4 F11 Rn1"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.166523669... |
ChangeAtomAction | dfe010d3-a84c-43f2-b401-719d8d1372aa | mp-628715 | Change the atom at index 24 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Eu4P4Se16
_chemical_formula_sum "K4 Eu4 P4 Se16"
_cell_length_a 6.82166288
_cell_length_b 6.9404548
_cell_length_c 17.42114529
_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 K4Eu4P4Se12NiSe3
_chemical_formula_sum "K4 Eu4 P4 Se15 Ni1"
_cell_length_a 6.82166288
_cell_length_b 6.9404548
_cell_length_c 17.42114529
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | 971f49e5-ea82-4abd-826a-baf117ac86ee | mp-510604 | Change the atom at index 1 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn32O48
_chemical_formula_sum "Mn32 O48"
_cell_length_a 9.41886143
_cell_length_b 9.42071325
_cell_length_c 9.41927971
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural MnTlMn30O48
_chemical_formula_sum "Mn31 Tl1 O48"
_cell_length_a 9.41886143
_cell_length_b 9.42071325
_cell_length_c 9.41927971
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | a8923085-74bf-4ac4-80bf-ea5201b2f351 | mp-1209619 | Change the atom at index 7 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF3CsF2
_chemical_formula_sum "Rb3 Bi1 F5 Cs1"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_spac... |
ChangeAtomAction | be43f097-8f2b-4e66-aa85-bdd7ab8bdbbc | mp-1176176 | Change the atom at index 16 into Os 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 3.02272
_cell_length_b 9.76787124
_cell_length_c 9.98994925
_cell_angle_alpha 87.31177365
_cell_angle_beta 88.3866931
_cell_angle_gamma 82.58774870000002
_space_gr... | data_image0
_chemical_formula_structural Li9Mn2Co5OsO15
_chemical_formula_sum "Li9 Mn2 Co5 Os1 O15"
_cell_length_a 3.02272
_cell_length_b 9.76787124
_cell_length_c 9.98994925
_cell_angle_alpha 87.31177365
_cell_angle_beta 88.3866931
_cell_angle_gamma 82.58774870000002
_sp... |
ChangeAtomAction | 1447c333-e2e8-44b2-9a5f-68d76000591f | mp-1193514 | Change the atom at index 21 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2V6O22
_chemical_formula_sum "Sr2 V6 O22"
_cell_length_a 11.228262
_cell_length_b 5.289352
_cell_length_c 9.07300453
_cell_angle_alpha 86.99417824
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Sr2V6O13KO8
_chemical_formula_sum "Sr2 V6 O21 K1"
_cell_length_a 11.228262
_cell_length_b 5.289352
_cell_length_c 9.07300453
_cell_angle_alpha 86.99417824
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | ab267bb0-2a8e-4f7f-a48f-b453327e81a1 | mp-735491 | Change the atom at index 22 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaMg2H24Cl6O12
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma 107.1... | data_image0
_chemical_formula_structural CaMg2H19CoH4Cl6O12
_chemical_formula_sum "Ca1 Mg2 H23 Co1 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma ... |
ChangeAtomAction | ee2e41a8-4e01-4382-88bd-5d5156516a97 | mp-28118 | Change the atom at index 2 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2Sb2I12
_chemical_formula_sum "Al2 Sb2 I12"
_cell_length_a 7.51513469
_cell_length_b 10.55020765
_cell_length_c 10.55020827
_cell_angle_alpha 79.31177768
_cell_angle_beta 70.49784906
_cell_angle_gamma 70.49784278
_space_group_nam... | data_image0
_chemical_formula_structural Al2TlSbI12
_chemical_formula_sum "Al2 Tl1 Sb1 I12"
_cell_length_a 7.51513469
_cell_length_b 10.55020765
_cell_length_c 10.55020827
_cell_angle_alpha 79.31177768
_cell_angle_beta 70.49784906
_cell_angle_gamma 70.49784278
_space_grou... |
ChangeAtomAction | b1fde32c-b789-41d6-bf01-c1561d7ad4d3 | mp-1201107 | Change the atom at index 8 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... | data_image0
_chemical_formula_structural Zn2B6BrB13H52O16
_chemical_formula_sum "Zn2 B19 Br1 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.33... |
ChangeAtomAction | 55d1ddde-7203-4b8d-98d2-d4e9759ce0d8 | mp-2232505 | 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 Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_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 Ba2YHfFe3O8
_chemical_formula_sum "Ba2 Y1 Hf1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 702582ca-704b-454e-a5fd-d6f1d1039ded | mp-1205853 | Change the atom at index 9 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4In2Au3Mo
_chemical_formula_sum "Nd4 In2 Au3 Mo1"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 30bfc6ef-f0b2-49f2-811b-b8f36b0736f0 | mp-636519 | Change the atom at index 10 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O4TcO3
_chemical_formula_sum "Ni2 Rh4 O7 Tc1"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_gro... |
ChangeAtomAction | d0f7b302-d423-4fc3-becb-d2c969429616 | mp-20268 | Change the atom at index 0 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural MnTi3Ge4Pd4
_chemical_formula_sum "Mn1 Ti3 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.9999996699... |
ChangeAtomAction | 9239a9c5-c51d-4b5f-987e-ef5b53a6ffc8 | mp-2235569 | Change the atom at index 5 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr3Co2Cu2S2O5
_chemical_formula_sum "Sr3 Co2 Cu2 S2 O5"
_cell_length_a 3.9132808
_cell_length_b 3.91392552
_cell_length_c 13.8699461
_cell_angle_alpha 97.98614465
_cell_angle_beta 98.19198951999999
_cell_angle_gamma 90.06672837
_sp... | data_image0
_chemical_formula_structural Sr3Co2RbCuS2O5
_chemical_formula_sum "Sr3 Co2 Rb1 Cu1 S2 O5"
_cell_length_a 3.9132808
_cell_length_b 3.91392552
_cell_length_c 13.8699461
_cell_angle_alpha 97.98614465
_cell_angle_beta 98.19198951999999
_cell_angle_gamma 90.06672837... |
ChangeAtomAction | 4f483c85-93a5-4f14-b45b-cb4eea06247d | mp-1028272 | Change the atom at index 15 into Ge in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... | data_image0
_chemical_formula_structural Mg14TiGe
_chemical_formula_sum "Mg14 Ti1 Ge1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... |
ChangeAtomAction | 03b96193-18fa-45e8-ad39-ce4501ba52b5 | mp-1238117 | Change the atom at index 34 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg2H8C24O6F16
_chemical_formula_sum "Hg2 H8 C24 O6 F16"
_cell_length_a 7.394295
_cell_length_b 8.291968700000002
_cell_length_c 11.727832569999999
_cell_angle_alpha 89.76842636
_cell_angle_beta 99.53525166
_cell_angle_gamma 99.99777... | data_image0
_chemical_formula_structural Hg2H8C24TbO5F16
_chemical_formula_sum "Hg2 H8 C24 Tb1 O5 F16"
_cell_length_a 7.394295
_cell_length_b 8.291968700000002
_cell_length_c 11.727832569999999
_cell_angle_alpha 89.76842636
_cell_angle_beta 99.53525166
_cell_angle_gamma 99... |
ChangeAtomAction | ba1a9444-001c-4cc1-9a77-31779785b03c | mp-608551 | Change the atom at index 17 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 Ti2Al4Br11HeBr4
_chemical_formula_sum "Ti2 Al4 Br15 He1"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | abbd7acd-6506-4d9b-962b-3dadfdece692 | mp-1219192 | Change the atom at index 9 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SmErTi2Fe16Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space_group... | data_image0
_chemical_formula_structural SmErTi2Fe5SFe10Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe15 S1 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_spac... |
ChangeAtomAction | 956c1110-5fc3-443a-bba6-2666b0ffaeb6 | mp-1517276 | Change the atom at index 8 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KPrYSbO6
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural KPrYSbO4GdO
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O5 Gd1"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
ChangeAtomAction | 67f1a871-3ad4-4175-9cf2-ee72fd73e5f6 | mp-1246768 | Change the atom at index 23 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn10Ge4N12
_chemical_formula_sum "Sn10 Ge4 N12"
_cell_length_a 5.74280682
_cell_length_b 7.10310896
_cell_length_c 14.77184992
_cell_angle_alpha 90.00000047
_cell_angle_beta 94.04329665999998
_cell_angle_gamma 128.20196312
_space_g... | data_image0
_chemical_formula_structural Sn10Ge4N9ReN2
_chemical_formula_sum "Sn10 Ge4 N11 Re1"
_cell_length_a 5.74280682
_cell_length_b 7.10310896
_cell_length_c 14.77184992
_cell_angle_alpha 90.00000047
_cell_angle_beta 94.04329665999998
_cell_angle_gamma 128.20196312
_... |
ChangeAtomAction | 0839f08c-b1fb-45bd-820e-5ccc873d97d2 | mp-755923 | Change the atom at index 11 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe6O7F5
_chemical_formula_sum "Fe6 O7 F5"
_cell_length_a 5.67210132
_cell_length_b 5.6721013199999994
_cell_length_c 7.677123809999999
_cell_angle_alpha 68.84161360999998
_cell_angle_beta 68.84161361
_cell_angle_gamma 69.79104959
_... | data_image0
_chemical_formula_structural Fe6O5FlOF5
_chemical_formula_sum "Fe6 O6 Fl1 F5"
_cell_length_a 5.67210132
_cell_length_b 5.6721013199999994
_cell_length_c 7.677123809999999
_cell_angle_alpha 68.84161360999998
_cell_angle_beta 68.84161361
_cell_angle_gamma 69.7910... |
ChangeAtomAction | 6e79f117-db4e-427e-bdb2-28f112376c53 | mp-1195679 | Change the atom at index 38 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O20CeO9
_chemical_formula_sum "Cs4 Th2 Si12 O29 Ce1"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_... |
ChangeAtomAction | d62fe265-5266-4e3a-a713-a61749287223 | mp-1035335 | 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 Mg14TiCuO16
_chemical_formula_sum "Mg14 Ti1 Cu1 O16"
_cell_length_a 8.57209372
_cell_length_b 8.61892722
_cell_length_c 4.23942272
_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 Mg14TiCuTlO15
_chemical_formula_sum "Mg14 Ti1 Cu1 Tl1 O15"
_cell_length_a 8.57209372
_cell_length_b 8.61892722
_cell_length_c 4.23942272
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | a21cfd36-b9fb-4fae-972d-2d9315f4cde2 | mp-569221 | Change the atom at index 18 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm2C12N18
_chemical_formula_sum "Sm2 C12 N18"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sm2C12N4NaN13
_chemical_formula_sum "Sm2 C12 N17 Na1"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_al... |
ChangeAtomAction | d484c278-d2c8-482f-b05b-79ca8fe28588 | mp-1522640 | Change the atom at index 3 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaCeEuGeO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural CaCeEuCuO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Cu1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
ChangeAtomAction | c194c410-b901-4a4e-9c03-6a3dc986c4a3 | mp-1239174 | Change the atom at index 7 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_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 Ti4Cr3CfCu4S16
_chemical_formula_sum "Ti4 Cr3 Cf1 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | a8ae1459-ab42-486c-8f04-91085ffedf2f | mp-29429 | Change the atom at index 0 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te8C8F24
_chemical_formula_sum "Te8 C8 F24"
_cell_length_a 11.794863
_cell_length_b 7.034608
_cell_length_c 10.44832753
_cell_angle_alpha 79.14750964
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural EsTe7C8F24
_chemical_formula_sum "Es1 Te7 C8 F24"
_cell_length_a 11.794863
_cell_length_b 7.034608
_cell_length_c 10.44832753
_cell_angle_alpha 79.14750964
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 0381e76c-35f8-4ea9-9530-c459be553c44 | mp-1022061 | Change the atom at index 15 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 La2Mg12NiSc
_chemical_formula_sum "La2 Mg12 Ni1 Sc1"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 | f2303f4b-16d1-49d4-8110-d0bdebea6329 | mp-866339 | Change the atom at index 7 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd4P8O24
_chemical_formula_sum "Cd4 P8 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
_space... | data_image0
_chemical_formula_structural Cd4P3PoP4O24
_chemical_formula_sum "Cd4 P7 Po1 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999... |
ChangeAtomAction | 67154ff8-a9ee-409a-bdb3-5e33b1c73c74 | mp-849652 | Change the atom at index 4 into Ra in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... | data_image0
_chemical_formula_structural Li3TiRaCu3O10
_chemical_formula_sum "Li3 Ti1 Ra1 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796... |
ChangeAtomAction | cf21a386-aa4c-47d6-9c3b-4fecd0042754 | mp-2228508 | Change the atom at index 2 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn4FeO8
_chemical_formula_sum "Mg1 Mn4 Fe1 O8"
_cell_length_a 6.17323916
_cell_length_b 6.168942360000001
_cell_length_c 6.27863278
_cell_angle_alpha 84.22881575
_cell_angle_beta 57.969734389999985
_cell_angle_gamma 55.74491367000... | data_image0
_chemical_formula_structural MgMnKMn2FeO8
_chemical_formula_sum "Mg1 Mn3 K1 Fe1 O8"
_cell_length_a 6.17323916
_cell_length_b 6.168942360000001
_cell_length_c 6.27863278
_cell_angle_alpha 84.22881575
_cell_angle_beta 57.969734389999985
_cell_angle_gamma 55.74491... |
ChangeAtomAction | 8e14046e-9844-4023-a96b-af8f5f953423 | mp-731924 | Change the atom at index 54 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4P4H20N4O24
_chemical_formula_sum "V4 P4 H20 N4 O24"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_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 V4P4H20N4O22SmO
_chemical_formula_sum "V4 P4 H20 N4 O23 Sm1"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 03c7fdbd-82ff-4618-9604-e272b656f138 | mp-532384 | Change the atom at index 83 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy16Ti16O56
_chemical_formula_sum "Dy16 Ti16 O56"
_cell_length_a 7.24247993
_cell_length_b 7.242479929999999
_cell_length_c 23.77533748
_cell_angle_alpha 80.77355742
_cell_angle_beta 80.77355742
_cell_angle_gamma 59.605854029999996
... | data_image0
_chemical_formula_structural Dy16Ti16O51SnO4
_chemical_formula_sum "Dy16 Ti16 O55 Sn1"
_cell_length_a 7.24247993
_cell_length_b 7.242479929999999
_cell_length_c 23.77533748
_cell_angle_alpha 80.77355742
_cell_angle_beta 80.77355742
_cell_angle_gamma 59.60585402... |
ChangeAtomAction | 96d42e01-5bea-492b-bc84-49a2fc550dfa | mp-558603 | Change the atom at index 1 into Eu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural KEuK2Si8O18
_chemical_formula_sum "K3 Eu1 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_... |
ChangeAtomAction | 6e6dbde9-7d0a-4725-860d-e4290d208ec1 | mp-568053 | Change the atom at index 15 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Ga12Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_... | data_image0
_chemical_formula_structural Tb4Ga11ClPt
_chemical_formula_sum "Tb4 Ga11 Cl1 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122... |
ChangeAtomAction | 2f347f9a-2c8d-4fe1-8399-8371c7c321a2 | mp-1220625 | Change the atom at index 10 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_... | data_image0
_chemical_formula_structural Nd4Si6Au
_chemical_formula_sum "Nd4 Si6 Au1"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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 | be0b4295-6e2a-4aae-9718-ae7f5e8508f7 | mp-1035395 | Change the atom at index 24 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 Mg14VCuO8ErO7
_chemical_formula_sum "Mg14 V1 Cu1 O15 Er1"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 4d2b62b1-cd9d-4b39-9464-3f0ce0ed81d6 | mp-771159 | Change the atom at index 25 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O13NO2
_chemical_formula_sum "Li4 V6 W2 O15 N1"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma ... |
ChangeAtomAction | 09a9a191-3540-4ede-93e8-86949635ff1c | mp-1198355 | Change the atom at index 50 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O24IO19
_chemical_formula_sum "Sr4 B22 O43 I1"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | f87fb682-d160-4f6d-a24b-960a5be377ae | mp-1199595 | Change the atom at index 44 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... | data_image0
_chemical_formula_structural MnSn4H24C8Se7NpSe2N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se9 Np1 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angl... |
ChangeAtomAction | 7f465927-3de5-41a2-bc36-78401620a411 | mp-28355 | 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 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 Na8SgGe3Se10
_chemical_formula_sum "Na8 Sg1 Ge3 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
_spa... |
ChangeAtomAction | 0310b076-5108-4a7d-869a-5a405bb5a0cb | mp-1217055 | Change the atom at index 9 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti2Al2Fe2O10
_chemical_formula_sum "Ti2 Al2 Fe2 O10"
_cell_length_a 5.22937343
_cell_length_b 5.22937343
_cell_length_c 9.745326
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 138.05324948
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ti2Al2Fe2O3FrO6
_chemical_formula_sum "Ti2 Al2 Fe2 O9 Fr1"
_cell_length_a 5.22937343
_cell_length_b 5.22937343
_cell_length_c 9.745326
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 138.05324948
_space_group_name_H-... |
ChangeAtomAction | 58c76205-486b-45a4-9f48-33c1a32e5879 | mp-753639 | Change the atom at index 4 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Ti2P2C2O14
_chemical_formula_sum "Li2 Ti2 P2 C2 O14"
_cell_length_a 6.447695
_cell_length_b 5.243688
_cell_length_c 8.2428729
_cell_angle_alpha 82.12488996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2Ti2TcPC2O14
_chemical_formula_sum "Li2 Ti2 Tc1 P1 C2 O14"
_cell_length_a 6.447695
_cell_length_b 5.243688
_cell_length_c 8.2428729
_cell_angle_alpha 82.12488996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | eb259f6a-7428-42cb-ae91-9978d68e4046 | mp-861612 | Change the atom at index 10 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O2ErO13
_chemical_formula_sum "Cr2 Fe2 P4 O15 Er1"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 571055d7-0395-4950-9be7-502ef2a5764a | mp-1078353 | Change the atom at index 4 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2Pb4W2O12
_chemical_formula_sum "Mn2 Pb4 W2 O12"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08865650... | data_image0
_chemical_formula_structural Mn2Pb2EsPbW2O12
_chemical_formula_sum "Mn2 Pb3 Es1 W2 O12"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.... |
ChangeAtomAction | 9d540716-bcf5-41cb-b19d-c663ab07174c | mp-740718 | Change the atom at index 37 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Al8H29YH18N16Cl24
_chemical_formula_sum "Al8 H47 Y1 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 91a2c657-16d9-4fce-8259-06e7ad30bacf | mp-1206019 | Change the atom at index 4 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4SiI5
_chemical_formula_sum "Ce4 Si1 I5"
_cell_length_a 10.11161256
_cell_length_b 10.11161256
_cell_length_c 9.1419254
_cell_angle_alpha 76.92605644
_cell_angle_beta 76.92605644
_cell_angle_gamma 24.85752920999999
_space_group_n... | data_image0
_chemical_formula_structural Ce4PuI5
_chemical_formula_sum "Ce4 Pu1 I5"
_cell_length_a 10.11161256
_cell_length_b 10.11161256
_cell_length_c 9.1419254
_cell_angle_alpha 76.92605644
_cell_angle_beta 76.92605644
_cell_angle_gamma 24.85752920999999
_space_group_n... |
ChangeAtomAction | f949c052-5661-4c13-84ae-ec79a231c931 | mp-1099219 | Change the atom at index 5 into Dy in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CsMg14SiO16
_chemical_formula_sum "Cs1 Mg14 Si1 O16"
_cell_length_a 8.790323
_cell_length_b 8.790323
_cell_length_c 4.468321
_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 CsMg4DyMg9SiO16
_chemical_formula_sum "Cs1 Mg13 Dy1 Si1 O16"
_cell_length_a 8.790323
_cell_length_b 8.790323
_cell_length_c 4.468321
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 4f021eaf-d928-45f1-88ec-8685457b1869 | mp-1218673 | Change the atom at index 33 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr4Zn29NZn21
_chemical_formula_sum "Sr4 Zn50 N1"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma ... |
ChangeAtomAction | 739a30bf-febf-407d-8127-dd5d5fb4bde3 | mp-1176271 | Change the atom at index 7 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.039067
_cell_length_b 5.105266029999999
_cell_length_c 11.79768582
_cell_angle_alpha 91.14839872999998
_cell_angle_beta 92.07247457
_cell_angle_gamma 108.20262448... | data_image0
_chemical_formula_structural Li7CaLiMn2Co5O16
_chemical_formula_sum "Li8 Ca1 Mn2 Co5 O16"
_cell_length_a 5.039067
_cell_length_b 5.105266029999999
_cell_length_c 11.79768582
_cell_angle_alpha 91.14839872999998
_cell_angle_beta 92.07247457
_cell_angle_gamma 108.... |
ChangeAtomAction | 988ef8b6-cde0-4435-a145-700cc501b2ce | mp-777649 | Change the atom at index 12 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn7FeB8O24
_chemical_formula_sum "Li8 Mn7 Fe1 B8 O24"
_cell_length_a 5.254754
_cell_length_b 8.29364163
_cell_length_c 12.126275779999999
_cell_angle_alpha 103.29875627
_cell_angle_beta 90.65501686
_cell_angle_gamma 90.7361999
_... | data_image0
_chemical_formula_structural Li8Mn4ClMn2FeB8O24
_chemical_formula_sum "Li8 Mn6 Cl1 Fe1 B8 O24"
_cell_length_a 5.254754
_cell_length_b 8.29364163
_cell_length_c 12.126275779999999
_cell_angle_alpha 103.29875627
_cell_angle_beta 90.65501686
_cell_angle_gamma 90.7... |
ChangeAtomAction | 02ac1e53-d973-4189-a969-2926b7a98d97 | mp-1522988 | Change the atom at index 1 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2BiWO6
_chemical_formula_sum "Na2 Bi1 W1 O6"
_cell_length_a 5.87140786
_cell_length_b 5.87140786
_cell_length_c 5.871407859999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural NaOgBiWO6
_chemical_formula_sum "Na1 Og1 Bi1 W1 O6"
_cell_length_a 5.87140786
_cell_length_b 5.87140786
_cell_length_c 5.871407859999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
ChangeAtomAction | 88cdc8b1-9200-41bc-a1fc-b5cea88b4d90 | mp-608551 | Change the atom at index 14 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 Ti2Al4Br8ScBr7
_chemical_formula_sum "Ti2 Al4 Br15 Sc1"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 48a52c11-2f0e-4b96-b0ee-f02565e2c4cd | mp-995217 | Change the atom at index 6 into Ts 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 H6TsHC12
_chemical_formula_sum "H7 Ts1 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_na... |
ChangeAtomAction | 66479744-9d2f-4029-a7f6-df63b46dd88c | mp-757370 | Change the atom at index 14 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... | data_image0
_chemical_formula_structural Ti5Fe9SrFeO24
_chemical_formula_sum "Ti5 Fe10 Sr1 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_spac... |
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