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 | 176df120-a951-4c29-994c-81a42f39427d | mp-554765 | Change the atom at index 10 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F7BhF4
_chemical_formula_sum "Ba1 Sb2 F11 Bh1"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space... |
ChangeAtomAction | e42d7e48-6936-4a01-ae13-7a2f3d07b3cd | mp-1105809 | Change the atom at index 0 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce8Se6N4
_chemical_formula_sum "Ce8 Se6 N4"
_cell_length_a 8.33568922
_cell_length_b 8.33568922
_cell_length_c 6.50426929
_cell_angle_alpha 90.17803823
_cell_angle_beta 90.17803823
_cell_angle_gamma 75.50873806
_space_group_name_H-... | data_image0
_chemical_formula_structural PtCe7Se6N4
_chemical_formula_sum "Pt1 Ce7 Se6 N4"
_cell_length_a 8.33568922
_cell_length_b 8.33568922
_cell_length_c 6.50426929
_cell_angle_alpha 90.17803823
_cell_angle_beta 90.17803823
_cell_angle_gamma 75.50873806
_space_group_n... |
ChangeAtomAction | 9b79d635-b5d5-43f7-a076-f19861e74c8c | mp-5794 | Change the atom at index 9 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... | data_image0
_chemical_formula_structural Zn2Ga4O3NO4
_chemical_formula_sum "Zn2 Ga4 O7 N1"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999... |
ChangeAtomAction | 1d7a4b12-6668-4aae-905c-4b3fd8e4e6f3 | mp-1101376 | Change the atom at index 7 into Ts in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Ge4O14
_chemical_formula_sum "Ta4 Ge4 O14"
_cell_length_a 13.66819192
_cell_length_b 13.66819192
_cell_length_c 5.791745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.60802685
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ta4Ge3TsO14
_chemical_formula_sum "Ta4 Ge3 Ts1 O14"
_cell_length_a 13.66819192
_cell_length_b 13.66819192
_cell_length_c 5.791745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.60802685
_space_group_name_H-M_alt... |
ChangeAtomAction | 11106ece-c4ee-42fe-96f6-7d607b873102 | mp-1112279 | Change the atom at index 9 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2AgPdF6
_chemical_formula_sum "K2 Ag1 Pd1 F6"
_cell_length_a 6.19613065
_cell_length_b 6.196130650000001
_cell_length_c 6.19613065
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural K2AgPdF5Hf
_chemical_formula_sum "K2 Ag1 Pd1 F5 Hf1"
_cell_length_a 6.19613065
_cell_length_b 6.196130650000001
_cell_length_c 6.19613065
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
ChangeAtomAction | 89f6636b-f232-4934-a2c5-0205bdcb1ab8 | mp-34009 | Change the atom at index 12 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce2Sm4S8
_chemical_formula_sum "Ce2 Sm4 S8"
_cell_length_a 7.38715013
_cell_length_b 7.38715013
_cell_length_c 7.38715013
_cell_angle_alpha 109.54757916999999
_cell_angle_beta 109.54757916999999
_cell_angle_gamma 109.31861126
_spac... | data_image0
_chemical_formula_structural Ce2Sm4S6AuS
_chemical_formula_sum "Ce2 Sm4 S7 Au1"
_cell_length_a 7.38715013
_cell_length_b 7.38715013
_cell_length_c 7.38715013
_cell_angle_alpha 109.54757916999999
_cell_angle_beta 109.54757916999999
_cell_angle_gamma 109.31861126... |
ChangeAtomAction | 728b6575-150d-4860-9771-af11cb6c0990 | mp-1341052 | Change the atom at index 0 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4W4O10
_chemical_formula_sum "Ca4 W4 O10"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_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 KCa3W4O10
_chemical_formula_sum "K1 Ca3 W4 O10"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
ChangeAtomAction | 384ced85-b037-4764-b78d-d712fa9ec9ff | mp-674329 | Change the atom at index 11 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... | data_image0
_chemical_formula_structural La4Cd2Te5CrTe2
_chemical_formula_sum "La4 Cd2 Te7 Cr1"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
... |
ChangeAtomAction | 0090fc28-5da6-4013-902c-bb345f95920a | mp-771159 | Change the atom at index 4 into Bh 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 Li4BhV5W2O16
_chemical_formula_sum "Li4 Bh1 V5 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 ... |
ChangeAtomAction | bccec4c1-7664-40b7-907f-ddedb6f8adf9 | mp-680301 | Change the atom at index 13 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K13ZrK10As8O32
_chemical_formula_sum "K23 Zr1 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_nam... |
ChangeAtomAction | 7b870275-1f00-4cca-ab7b-9c52fedbb165 | mp-766529 | Change the atom at index 26 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.136106
_cell_length_b 6.43709
_cell_length_c 10.844521
_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 Li4Fe4Si4O14InO
_chemical_formula_sum "Li4 Fe4 Si4 O15 In1"
_cell_length_a 5.136106
_cell_length_b 6.43709
_cell_length_c 10.844521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | b76521bb-698f-4121-93d6-87207819c7b3 | mp-772666 | Change the atom at index 15 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li4Cr4O7WO6
_chemical_formula_sum "Li4 Cr4 O13 W1"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space... |
ChangeAtomAction | 92eb4599-2cc9-4374-879b-9628d614dd73 | mp-1106406 | Change the atom at index 8 into Pm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4Sn2S10
_chemical_formula_sum "Ce4 Sn2 S10"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_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 Ce4Sn2S2PmS7
_chemical_formula_sum "Ce4 Sn2 S9 Pm1"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 95a37507-88cf-40e4-b648-da8ff9b42d69 | mp-1213210 | Change the atom at index 31 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... | data_image0
_chemical_formula_structural Dy4Au10F17LuF24
_chemical_formula_sum "Dy4 Au10 F41 Lu1"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685... |
ChangeAtomAction | 729249ec-1f25-42d9-b840-1a5192302441 | mp-30949 | Change the atom at index 7 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr12Si4O4
_chemical_formula_sum "Sr12 Si4 O4"
_cell_length_a 7.15066135
_cell_length_b 7.13016274
_cell_length_c 10.10705953
_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 Sr7PSr4Si4O4
_chemical_formula_sum "Sr11 P1 Si4 O4"
_cell_length_a 7.15066135
_cell_length_b 7.13016274
_cell_length_c 10.10705953
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 8d19ad88-86dc-4297-97b2-97a6718183cd | mp-1210185 | Change the atom at index 16 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Y2Ir3O12
_chemical_formula_sum "Na4 Y2 Ir3 O12"
_cell_length_a 9.48034113
_cell_length_b 9.48034113
_cell_length_c 3.208925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na4Y2Ir3O7TcO4
_chemical_formula_sum "Na4 Y2 Ir3 O11 Tc1"
_cell_length_a 9.48034113
_cell_length_b 9.48034113
_cell_length_c 3.208925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389999999
_space_group_na... |
ChangeAtomAction | 4fad7831-e16e-4c45-8f95-d6d31ece1676 | mp-1210964 | Change the atom at index 22 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu12Cr4S24
_chemical_formula_sum "Lu12 Cr4 S24"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_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 Lu12Cr4S6ScS17
_chemical_formula_sum "Lu12 Cr4 S23 Sc1"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | aedc9eb3-c693-42dc-a390-66b58609f67c | mp-771123 | Change the atom at index 26 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sc6Fe6O14KrO3
_chemical_formula_sum "Sc6 Fe6 O17 Kr1"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_... |
ChangeAtomAction | 2734f4a5-6cc2-4af2-bb79-3317de8849f2 | mp-1079648 | 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 U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 U2Ge4PRh3
_chemical_formula_sum "U2 Ge4 P1 Rh3"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
ChangeAtomAction | 65bef4a0-05f0-4cd6-9a15-5d62f68802dc | mp-1213759 | Change the atom at index 4 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs12Ir4Br24O4
_chemical_formula_sum "Cs12 Ir4 Br24 O4"
_cell_length_a 7.637021
_cell_length_b 13.413389
_cell_length_c 15.952445
_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 Cs4PoCs7Ir4Br24O4
_chemical_formula_sum "Cs11 Po1 Ir4 Br24 O4"
_cell_length_a 7.637021
_cell_length_b 13.413389
_cell_length_c 15.952445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | e1b29c59-072e-4068-b4dc-de9e7f894082 | mp-780696 | Change the atom at index 6 into Gd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
_space... | data_image0
_chemical_formula_structural Ca2Mn2As2GdAsH12O20
_chemical_formula_sum "Ca2 Mn2 As3 Gd1 H12 O20"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082... |
ChangeAtomAction | 3f7ab0b7-9960-449d-b34f-00123e904b2a | mp-630927 | Change the atom at index 5 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBBr5
_chemical_formula_sum "Pb4 Se1 B1 Br5"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_... |
ChangeAtomAction | c07ae7f7-0a12-40b6-9001-f3e8e55f195f | mp-1028424 | Change the atom at index 12 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CsMg11TaMg2Co
_chemical_formula_sum "Cs1 Mg13 Ta1 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M... |
ChangeAtomAction | 90019a9f-2f03-4ea1-8fe4-134718d04223 | mp-1517031 | Change the atom at index 14 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Ca4Gd4Nb4O24
_chemical_formula_sum "Ba4 Ca4 Gd4 Nb4 O24"
_cell_length_a 8.40905738
_cell_length_b 8.39257789
_cell_length_c 8.44034433
_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 Ba4Ca4Gd4Nb2TiNbO24
_chemical_formula_sum "Ba4 Ca4 Gd4 Nb3 Ti1 O24"
_cell_length_a 8.40905738
_cell_length_b 8.39257789
_cell_length_c 8.44034433
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | 810510a0-52ed-4bf0-ba95-9cf3f967e671 | mp-1233325 | Change the atom at index 2 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaEr4Zr4O14
_chemical_formula_sum "Ca1 Er4 Zr4 O14"
_cell_length_a 3.57022946
_cell_length_b 15.22401611
_cell_length_c 13.07659326
_cell_angle_alpha 30.80166136999999
_cell_angle_beta 56.715480969999994
_cell_angle_gamma 61.8756690... | data_image0
_chemical_formula_structural CaErScEr2Zr4O14
_chemical_formula_sum "Ca1 Er3 Sc1 Zr4 O14"
_cell_length_a 3.57022946
_cell_length_b 15.22401611
_cell_length_c 13.07659326
_cell_angle_alpha 30.80166136999999
_cell_angle_beta 56.715480969999994
_cell_angle_gamma 61... |
ChangeAtomAction | 6b2b1a02-d4c9-403c-9da2-97effe0b7e72 | mp-1026556 | Change the atom at index 11 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg11ThMg2CrC
_chemical_formula_sum "Mg13 Th1 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_... |
ChangeAtomAction | b80cef09-3ca1-40bc-b66b-164ac1c937f0 | mp-5996 | Change the atom at index 31 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_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 Na8Ti8Si8O7TlO28
_chemical_formula_sum "Na8 Ti8 Si8 O35 Tl1"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 79e41d55-7824-4f06-9df2-661773881f96 | mp-1182991 | Change the atom at index 12 into Nh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4Te2O12
_chemical_formula_sum "Ag4 Te2 O12"
_cell_length_a 9.03229954
_cell_length_b 6.12470557
_cell_length_c 10.04159777
_cell_angle_alpha 62.18340281999999
_cell_angle_beta 37.26355637999998
_cell_angle_gamma 80.47591117
_spac... | data_image0
_chemical_formula_structural Ag4Te2O6NhO5
_chemical_formula_sum "Ag4 Te2 O11 Nh1"
_cell_length_a 9.03229954
_cell_length_b 6.12470557
_cell_length_c 10.04159777
_cell_angle_alpha 62.18340281999999
_cell_angle_beta 37.26355637999998
_cell_angle_gamma 80.47591117... |
ChangeAtomAction | 8d2e49e2-cbe8-45a8-a72c-2802b79fd9b7 | mp-1202294 | Change the atom at index 44 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni8P16H16O56
_chemical_formula_sum "Ni8 P16 H16 O56"
_cell_length_a 12.797851
_cell_length_b 9.285836
_cell_length_c 9.683979269999998
_cell_angle_alpha 73.07185644
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ni8P16H16O4PO51
_chemical_formula_sum "Ni8 P17 H16 O55"
_cell_length_a 12.797851
_cell_length_b 9.285836
_cell_length_c 9.683979269999998
_cell_angle_alpha 73.07185644
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | de8e01d9-f6ba-4408-a88c-8f5f4e2f7b8a | mp-1232032 | Change the atom at index 23 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 13.48704158
_cell_length_b 7.88029332
_cell_length_c 6.51258164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Y8Mg4S11ErS4
_chemical_formula_sum "Y8 Mg4 S15 Er1"
_cell_length_a 13.48704158
_cell_length_b 7.88029332
_cell_length_c 6.51258164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 3a4a74a3-2d01-4feb-8279-23f2a308238e | mp-1247313 | Change the atom at index 14 into Ts in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn14TsZnAg4N12
_chemical_formula_sum "Zn15 Ts1 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
... |
ChangeAtomAction | 1be44c5c-1edd-4ebf-a5f6-7a576cec331f | mp-16623 | Change the atom at index 21 into Bi in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... | data_image0
_chemical_formula_structural Dy2Al14Au5Bi
_chemical_formula_sum "Dy2 Al14 Au5 Bi1"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.3445374... |
ChangeAtomAction | 55e77ea9-8566-4494-8417-4ba6196b8e68 | mp-756744 | Change the atom at index 22 into Tl 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 Li6Co6B6O4TlO13
_chemical_formula_sum "Li6 Co6 B6 O17 Tl1"
_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.... |
ChangeAtomAction | 110097ab-b597-4dbd-8340-2b1acbc7fd88 | mp-558350 | Change the atom at index 62 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_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 Zn16Te8Br16O22InO
_chemical_formula_sum "Zn16 Te8 Br16 O23 In1"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | ba38c50b-b776-410c-a1c8-c3f37d6360b8 | mp-540876 | 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 K2Th4P6O24
_chemical_formula_sum "K2 Th4 P6 O24"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654
_sp... | data_image0
_chemical_formula_structural TeKTh4P6O24
_chemical_formula_sum "Te1 K1 Th4 P6 O24"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654... |
ChangeAtomAction | bce69473-90bd-494c-9a05-287677cad039 | mp-20083 | Change the atom at index 0 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 TiSc3Cu4Si4
_chemical_formula_sum "Ti1 Sc3 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 9b77c8c3-e520-4d9a-8192-a70e8fc18e20 | mp-1103834 | Change the atom at index 1 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiMo6S8
_chemical_formula_sum "Li1 Mo6 S8"
_cell_length_a 6.52044706
_cell_length_b 6.5204470599999995
_cell_length_c 6.520447640000001
_cell_angle_alpha 92.02069996999998
_cell_angle_beta 92.02069996999998
_cell_angle_gamma 92.0206... | data_image0
_chemical_formula_structural LiCnMo5S8
_chemical_formula_sum "Li1 Cn1 Mo5 S8"
_cell_length_a 6.52044706
_cell_length_b 6.5204470599999995
_cell_length_c 6.520447640000001
_cell_angle_alpha 92.02069996999998
_cell_angle_beta 92.02069996999998
_cell_angle_gamma 9... |
ChangeAtomAction | c8fe8a93-bcad-4010-b547-f1552be75cfe | mp-763481 | Change the atom at index 7 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb8Co4O24
_chemical_formula_sum "Nb8 Co4 O24"
_cell_length_a 4.82910201
_cell_length_b 10.39951891
_cell_length_c 9.6593011
_cell_angle_alpha 62.34460947
_cell_angle_beta 90.00166628
_cell_angle_gamma 90.0082642
_space_group_name_H... | data_image0
_chemical_formula_structural Nb7NCo4O24
_chemical_formula_sum "Nb7 N1 Co4 O24"
_cell_length_a 4.82910201
_cell_length_b 10.39951891
_cell_length_c 9.6593011
_cell_angle_alpha 62.34460947
_cell_angle_beta 90.00166628
_cell_angle_gamma 90.0082642
_space_group_na... |
ChangeAtomAction | 3c95a668-1580-4897-927c-1543ea3144c6 | mp-1095677 | Change the atom at index 4 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Np4Sb8
_chemical_formula_sum "Np4 Sb8"
_cell_length_a 4.3506907
_cell_length_b 4.3506907
_cell_length_c 17.247987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.40688543
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Np4OSb7
_chemical_formula_sum "Np4 O1 Sb7"
_cell_length_a 4.3506907
_cell_length_b 4.3506907
_cell_length_c 17.247987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.40688543
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | 4751500c-8b25-4252-a3d5-983a3ec10d4b | mp-997504 | Change the atom at index 4 into Er in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu4ErCuO2F10
_chemical_formula_sum "Cu5 Er1 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.3986277... |
ChangeAtomAction | e4272525-a7a7-499e-9e94-faec9f22d1b9 | mp-5169 | Change the atom at index 10 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... | data_image0
_chemical_formula_structural Cu8P2RePO18
_chemical_formula_sum "Cu8 P3 Re1 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group... |
ChangeAtomAction | 02b5797e-8243-4bec-8af3-7bbfe08960f4 | mp-673174 | Change the atom at index 11 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe11CrFe12N9
_chemical_formula_sum "Fe23 Cr1 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.066545979999... |
ChangeAtomAction | 343694c1-acb4-4fa5-a533-3f66740bd06d | mp-637030 | Change the atom at index 1 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural GdRbAl6Si4Pt
_chemical_formula_sum "Gd1 Rb1 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.... |
ChangeAtomAction | 0dd15af1-3d7c-42bc-85b7-2d267ed37914 | mp-753244 | Change the atom at index 20 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2Mn4F14IrF3
_chemical_formula_sum "Li2 Mn4 F17 Ir1"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_spa... |
ChangeAtomAction | 6940abe5-3c3a-4037-af23-680fa1f69e37 | mp-3347425 | Change the atom at index 5 into Pb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na9Li3Mg3Cl18
_chemical_formula_sum "Na9 Li3 Mg3 Cl18"
_cell_length_a 11.90235993
_cell_length_b 11.90235993
_cell_length_c 6.28689806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999999999999
_space_group_n... | data_image0
_chemical_formula_structural Na5PbNa3Li3Mg3Cl18
_chemical_formula_sum "Na8 Pb1 Li3 Mg3 Cl18"
_cell_length_a 11.90235993
_cell_length_b 11.90235993
_cell_length_c 6.28689806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999999999999
_spac... |
ChangeAtomAction | 008a1540-1dd3-4e62-b338-108ead6fe87b | mp-2824 | Change the atom at index 5 into Sg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Pd8
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 Al4PdSgPd6
_chemical_formula_sum "Al4 Pd7 Sg1"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 | e7d8ea3d-15df-4bb0-b24b-cf2dd115b5c0 | mp-1189263 | Change the atom at index 7 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pd2N4OHgO10
_chemical_formula_sum "Pd2 N4 O11 Hg1"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | c96d6612-75b5-4220-985c-a6f00c4d577a | mp-1106129 | Change the atom at index 1 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural BiBBi2Te2Br2O9
_chemical_formula_sum "Bi3 B1 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 84c73ef9-cefa-437a-bf01-a4207c9fb432 | mp-1043568 | 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 Ta4P4O20
_chemical_formula_sum "Ta4 P4 O20"
_cell_length_a 10.39536412
_cell_length_b 9.10883856
_cell_length_c 7.12370371
_cell_angle_alpha 78.59862332999998
_cell_angle_beta 59.1987915
_cell_angle_gamma 42.202585170000006
_space_... | data_image0
_chemical_formula_structural Ta4P3CfO20
_chemical_formula_sum "Ta4 P3 Cf1 O20"
_cell_length_a 10.39536412
_cell_length_b 9.10883856
_cell_length_c 7.12370371
_cell_angle_alpha 78.59862332999998
_cell_angle_beta 59.1987915
_cell_angle_gamma 42.202585170000006
_... |
ChangeAtomAction | 10412e7e-68d3-4670-a50c-92a3d4950e90 | mp-1043165 | Change the atom at index 3 into Ds in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ni4Ge8O24
_chemical_formula_sum "Ca4 Ni4 Ge8 O24"
_cell_length_a 5.47812896
_cell_length_b 10.230362419999999
_cell_length_c 9.05647501
_cell_angle_alpha 89.99965499
_cell_angle_beta 90.00086354
_cell_angle_gamma 105.5279128
_sp... | data_image0
_chemical_formula_structural Ca3DsNi4Ge8O24
_chemical_formula_sum "Ca3 Ds1 Ni4 Ge8 O24"
_cell_length_a 5.47812896
_cell_length_b 10.230362419999999
_cell_length_c 9.05647501
_cell_angle_alpha 89.99965499
_cell_angle_beta 90.00086354
_cell_angle_gamma 105.527912... |
ChangeAtomAction | 1b681814-fc00-48fc-99e0-f2f0c985d1b9 | mp-1218107 | Change the atom at index 5 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr2Pr2CoHRu2O12
_chemical_formula_sum "Sr2 Pr2 Co1 H1 Ru2 O12"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | fe9fe776-c996-4bf5-89b2-ab13344fc3be | mp-1104551 | Change the atom at index 5 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... | data_image0
_chemical_formula_structural DyZn4TbZn7
_chemical_formula_sum "Dy1 Zn11 Tb1"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_... |
ChangeAtomAction | fd98ed55-8234-43d2-9efc-b535437661fa | mp-1047012 | Change the atom at index 10 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Nb4Ni2O16
_chemical_formula_sum "Ca4 Nb4 Ni2 O16"
_cell_length_a 9.95587492
_cell_length_b 9.95587492
_cell_length_c 5.48497163
_cell_angle_alpha 88.82553978000001
_cell_angle_beta 88.82553978000001
_cell_angle_gamma 36.909123379... | data_image0
_chemical_formula_structural Ca4Nb4Ni2PrO15
_chemical_formula_sum "Ca4 Nb4 Ni2 Pr1 O15"
_cell_length_a 9.95587492
_cell_length_b 9.95587492
_cell_length_c 5.48497163
_cell_angle_alpha 88.82553978000001
_cell_angle_beta 88.82553978000001
_cell_angle_gamma 36.909... |
ChangeAtomAction | 2dfc68c7-1f03-45cf-858c-4d4f8a25292e | mp-1017477 | Change the atom at index 0 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 NbLaMg12W2
_chemical_formula_sum "Nb1 La1 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 | 09100fa1-09df-4dac-b5fa-e48a0dad9967 | mp-1211269 | 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 La2Al20Ru4
_chemical_formula_sum "La2 Al20 Ru4"
_cell_length_a 6.86797254
_cell_length_b 6.86797254
_cell_length_c 9.16754248
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01280556000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La2Al8ErAl11Ru4
_chemical_formula_sum "La2 Al19 Er1 Ru4"
_cell_length_a 6.86797254
_cell_length_b 6.86797254
_cell_length_c 9.16754248
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01280556000002
_space_group_na... |
ChangeAtomAction | 6ba5606e-ab9f-44c4-a87e-8eac49b843ac | mp-1246779 | Change the atom at index 24 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N10SN
_chemical_formula_sum "Ba10 Hf4 N11 S1"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_gr... |
ChangeAtomAction | a7b101b9-2544-478e-bb38-bd566a66484b | mp-731924 | Change the atom at index 4 into Bh 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 V4BhP3H20N4O24
_chemical_formula_sum "V4 Bh1 P3 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... |
ChangeAtomAction | 02f8ca23-663f-4e9b-b71a-692b60ec382e | mp-722271 | Change the atom at index 29 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural H28RuPS4N8O12
_chemical_formula_sum "H28 Ru1 P1 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | d618faf8-8925-45d1-9179-9408d60a6f7c | mp-757164 | 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 Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 2.913698
_cell_length_b 4.99117083
_cell_length_c 10.06131636
_cell_angle_alpha 91.12704374
_cell_angle_beta 91.30901448
_cell_angle_gamma 90.70872344
_space_group_n... | data_image0
_chemical_formula_structural Li3MnRfCo2O8
_chemical_formula_sum "Li3 Mn1 Rf1 Co2 O8"
_cell_length_a 2.913698
_cell_length_b 4.99117083
_cell_length_c 10.06131636
_cell_angle_alpha 91.12704374
_cell_angle_beta 91.30901448
_cell_angle_gamma 90.70872344
_space_gr... |
ChangeAtomAction | bc2cd271-4817-4fef-8e30-8c7a8f52359c | mp-698711 | 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 Sr9NdFe5Mo5O30
_chemical_formula_sum "Sr9 Nd1 Fe5 Mo5 O30"
_cell_length_a 5.637495
_cell_length_b 9.79783622
_cell_length_c 12.74655048
_cell_angle_alpha 74.84030769
_cell_angle_beta 77.28271922
_cell_angle_gamma 73.31290808
_space... | data_image0
_chemical_formula_structural Sr9NdDyFe4Mo5O30
_chemical_formula_sum "Sr9 Nd1 Dy1 Fe4 Mo5 O30"
_cell_length_a 5.637495
_cell_length_b 9.79783622
_cell_length_c 12.74655048
_cell_angle_alpha 74.84030769
_cell_angle_beta 77.28271922
_cell_angle_gamma 73.31290808
... |
ChangeAtomAction | c60f4aa5-2865-4342-8269-e724aae82a84 | mp-1017129 | Change the atom at index 15 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Bi2Sb2
_chemical_formula_sum "Mg12 Bi2 Sb2"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_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 Mg12Bi2SbFm
_chemical_formula_sum "Mg12 Bi2 Sb1 Fm1"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_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 | 28311263-9b22-4fee-b6cf-ee7b72c45c06 | mp-1366748 | Change the atom at index 21 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cr2P4O14
_chemical_formula_sum "Li4 Cr2 P4 O14"
_cell_length_a 5.515163
_cell_length_b 6.44625524
_cell_length_c 8.97687023
_cell_angle_alpha 110.58169125
_cell_angle_beta 92.70962614000001
_cell_angle_gamma 106.39633941
_space_... | data_image0
_chemical_formula_structural Li4Cr2P4O11YO2
_chemical_formula_sum "Li4 Cr2 P4 O13 Y1"
_cell_length_a 5.515163
_cell_length_b 6.44625524
_cell_length_c 8.97687023
_cell_angle_alpha 110.58169125
_cell_angle_beta 92.70962614000001
_cell_angle_gamma 106.39633941
_... |
ChangeAtomAction | 80f6d913-17e7-497f-8998-dab3f5a01f19 | mp-1227760 | Change the atom at index 41 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Dy6Sb6O28
_chemical_formula_sum "Ca4 Dy6 Sb6 O28"
_cell_length_a 7.48616469
_cell_length_b 7.48616469
_cell_length_c 10.49413412
_cell_angle_alpha 88.7638551
_cell_angle_beta 88.7638551
_cell_angle_gamma 90.36135191
_space_group... | data_image0
_chemical_formula_structural Ca4Dy6Sb6O25NpO2
_chemical_formula_sum "Ca4 Dy6 Sb6 O27 Np1"
_cell_length_a 7.48616469
_cell_length_b 7.48616469
_cell_length_c 10.49413412
_cell_angle_alpha 88.7638551
_cell_angle_beta 88.7638551
_cell_angle_gamma 90.36135191
_spa... |
ChangeAtomAction | 8a7be183-ce96-4759-b113-8fe00348eade | mp-1213886 | Change the atom at index 10 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce8Tl2FmTl5F40
_chemical_formula_sum "Ce8 Tl7 Fm1 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_na... |
ChangeAtomAction | 5cf39583-c6a1-4fb7-a11c-dc6e0453fd62 | mp-33255 | Change the atom at index 13 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... | data_image0
_chemical_formula_structural Ni13LuNiO16
_chemical_formula_sum "Ni14 Lu1 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_... |
ChangeAtomAction | 27688493-8655-4ca8-8b89-dac9386aa7ef | mp-29249 | Change the atom at index 16 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge8As8HsSe7
_chemical_formula_sum "Ge8 As8 Hs1 Se7"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 4bb61aab-0ac0-4d6b-87b1-7252463f7684 | mp-1208926 | Change the atom at index 27 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Ga18Ir6
_chemical_formula_sum "Sm4 Ga18 Ir6"
_cell_length_a 7.53738553
_cell_length_b 7.53738593
_cell_length_c 9.53524239
_cell_angle_alpha 90.00030669
_cell_angle_beta 90.00030257
_cell_angle_gamma 119.75825073
_space_group_na... | data_image0
_chemical_formula_structural Sm4Ga18Ir5Hs
_chemical_formula_sum "Sm4 Ga18 Ir5 Hs1"
_cell_length_a 7.53738553
_cell_length_b 7.53738593
_cell_length_c 9.53524239
_cell_angle_alpha 90.00030669
_cell_angle_beta 90.00030257
_cell_angle_gamma 119.75825073
_space_gr... |
ChangeAtomAction | 99d9e0af-1588-495c-bf64-5a1d4c1a2fd2 | mp-1225219 | 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 EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 EuAl3BaAl4SiAu4
_chemical_formula_sum "Eu1 Al7 Ba1 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | be9a657e-56b0-480e-824e-f7c7072e2838 | mp-6632 | Change the atom at index 13 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... | data_image0
_chemical_formula_structural Ca5B3O5KO3F
_chemical_formula_sum "Ca5 B3 O8 K1 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
... |
ChangeAtomAction | 7b28a989-21a4-4fa0-ad9e-472ddbe44489 | mp-21705 | Change the atom at index 15 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8In12Ag4Se24
_chemical_formula_sum "K8 In12 Ag4 Se24"
_cell_length_a 8.29834724
_cell_length_b 8.29834746
_cell_length_c 21.383902849999995
_cell_angle_alpha 84.27447969000002
_cell_angle_beta 84.27447803
_cell_angle_gamma 89.88291... | data_image0
_chemical_formula_structural K8In7OIn4Ag4Se24
_chemical_formula_sum "K8 In11 O1 Ag4 Se24"
_cell_length_a 8.29834724
_cell_length_b 8.29834746
_cell_length_c 21.383902849999995
_cell_angle_alpha 84.27447969000002
_cell_angle_beta 84.27447803
_cell_angle_gamma 89... |
ChangeAtomAction | bcf5aaaf-c3a0-493d-a867-e6d861c701c6 | mp-754552 | Change the atom at index 9 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Mn4B4O12
_chemical_formula_sum "Li3 Mn4 B4 O12"
_cell_length_a 5.291494
_cell_length_b 6.20734319
_cell_length_c 7.842728
_cell_angle_alpha 79.14851024
_cell_angle_beta 87.42970977
_cell_angle_gamma 87.53834646
_space_group_name... | data_image0
_chemical_formula_structural Li3Mn4B2EsBO12
_chemical_formula_sum "Li3 Mn4 B3 Es1 O12"
_cell_length_a 5.291494
_cell_length_b 6.20734319
_cell_length_c 7.842728
_cell_angle_alpha 79.14851024
_cell_angle_beta 87.42970977
_cell_angle_gamma 87.53834646
_space_gro... |
ChangeAtomAction | 3f6b7ea4-82a1-4558-8410-28ae4f5ea317 | mp-1214888 | Change the atom at index 7 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH3CrH8O12
_chemical_formula_sum "Al1 Zn2 Sb1 H11 Cr1 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_gro... |
ChangeAtomAction | 1bfd79a3-d460-43f6-84cc-561606db08db | mp-1233053 | Change the atom at index 22 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F5SmF2
_chemical_formula_sum "Mg1 V8 O8 F7 Sm1"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_sp... |
ChangeAtomAction | 6f811cc5-032f-4f37-8e8e-596b66e1d91e | mp-2227274 | 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 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 MgW2BrMdBr2O4
_chemical_formula_sum "Mg1 W2 Br3 Md1 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 9... |
ChangeAtomAction | f9e987dc-8634-4075-978c-c9572a865efa | mp-1191832 | Change the atom at index 12 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2Mo8O2TlO9
_chemical_formula_sum "Na2 Mo8 O11 Tl1"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 | b493ea3e-5fa1-474a-80fa-26fd2026d724 | mp-1200783 | Change the atom at index 79 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4B24S16Cl24O32
_chemical_formula_sum "K4 B24 S16 Cl24 O32"
_cell_length_a 20.732491
_cell_length_b 9.842671
_cell_length_c 10.54402364
_cell_angle_alpha 79.37372503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural K4B24S16Cl24O11NbO20
_chemical_formula_sum "K4 B24 S16 Cl24 O31 Nb1"
_cell_length_a 20.732491
_cell_length_b 9.842671
_cell_length_c 10.54402364
_cell_angle_alpha 79.37372503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
ChangeAtomAction | 1735e006-3e63-45ed-b3ff-c57009ea25b9 | mp-1219284 | 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 ScNbPb2O6
_chemical_formula_sum "Sc1 Nb1 Pb2 O6"
_cell_length_a 5.81839845
_cell_length_b 5.81839845
_cell_length_c 5.81839845
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural ScNbTmPbO6
_chemical_formula_sum "Sc1 Nb1 Tm1 Pb1 O6"
_cell_length_a 5.81839845
_cell_length_b 5.81839845
_cell_length_c 5.81839845
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
ChangeAtomAction | 7cdda1a1-1286-4ae4-aef1-565f4e3794f6 | mp-541520 | Change the atom at index 23 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2V6Se4O11ZnO12
_chemical_formula_sum "K2 V6 Se4 O23 Zn1"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_n... |
ChangeAtomAction | 11f86544-c532-484a-9bce-d65912b001cb | mp-558208 | Change the atom at index 37 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As8O21IrO6
_chemical_formula_sum "Rb4 In4 As8 O27 Ir1"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.7309106000000... |
ChangeAtomAction | ab931257-41c6-471e-bddf-1442bb1fd3c3 | mp-561165 | Change the atom at index 21 into Lv in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V6Bi12O3LvO26
_chemical_formula_sum "V6 Bi12 O29 Lv1"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_al... |
ChangeAtomAction | a4c93c65-966b-4702-90f4-fff880931d4f | mp-16136 | Change the atom at index 6 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa2YbSi2O14
_chemical_formula_sum "Sr3 Ta1 Ga2 Yb1 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_g... |
ChangeAtomAction | 0acfe363-16ce-4c98-a11f-b5e352c00214 | mp-1178577 | Change the atom at index 1 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Fe4O12
_chemical_formula_sum "Al4 Fe4 O12"
_cell_length_a 4.96358685
_cell_length_b 4.963348700000001
_cell_length_c 9.494494210000001
_cell_angle_alpha 105.15160027000002
_cell_angle_beta 90.00137238
_cell_angle_gamma 119.998490... | data_image0
_chemical_formula_structural AlIrAl2Fe4O12
_chemical_formula_sum "Al3 Ir1 Fe4 O12"
_cell_length_a 4.96358685
_cell_length_b 4.963348700000001
_cell_length_c 9.494494210000001
_cell_angle_alpha 105.15160027000002
_cell_angle_beta 90.00137238
_cell_angle_gamma 11... |
ChangeAtomAction | b6f22a90-bcb9-4b58-ab00-cffedda2f431 | mp-1234848 | Change the atom at index 30 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgAg14Pb6O18
_chemical_formula_sum "Mg1 Ag14 Pb6 O18"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_space_gro... | data_image0
_chemical_formula_structural MgAg14Pb6O9PrO8
_chemical_formula_sum "Mg1 Ag14 Pb6 O17 Pr1"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_sp... |
ChangeAtomAction | 69aed2ea-cd8a-4a55-8db3-b4db6eb6d3bd | mp-1193201 | Change the atom at index 13 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd12Se12N4
_chemical_formula_sum "Gd12 Se12 N4"
_cell_length_a 4.00144105
_cell_length_b 12.65259632
_cell_length_c 13.22567041
_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 Gd12SeTcSe10N4
_chemical_formula_sum "Gd12 Se11 Tc1 N4"
_cell_length_a 4.00144105
_cell_length_b 12.65259632
_cell_length_c 13.22567041
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | cae6a645-a39c-4aaf-b796-e9336382a768 | mp-1192980 | Change the atom at index 10 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb10In8Pd4
_chemical_formula_sum "Tb10 In8 Pd4"
_cell_length_a 8.06403957
_cell_length_b 18.26175944
_cell_length_c 3.648529
_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 Tb10MnIn7Pd4
_chemical_formula_sum "Tb10 Mn1 In7 Pd4"
_cell_length_a 8.06403957
_cell_length_b 18.26175944
_cell_length_c 3.648529
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 7d020c21-1a8c-40e0-9904-eecfc7f550c6 | mp-1030516 | Change the atom at index 3 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34368152
_cell_length_b 3.3436815200000005
_cell_length_c 38.056017
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999905
_space_group_na... | data_image0
_chemical_formula_structural Te2MoBW2Se4S2
_chemical_formula_sum "Te2 Mo1 B1 W2 Se4 S2"
_cell_length_a 3.34368152
_cell_length_b 3.3436815200000005
_cell_length_c 38.056017
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999905
_space_group... |
ChangeAtomAction | 044513fa-2065-4d39-bca1-71bbea178a14 | mp-1111200 | Change the atom at index 5 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2TlAsI6
_chemical_formula_sum "K2 Tl1 As1 I6"
_cell_length_a 8.68891116
_cell_length_b 8.68891116
_cell_length_c 8.68891116
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2TlAsITaI4
_chemical_formula_sum "K2 Tl1 As1 I5 Ta1"
_cell_length_a 8.68891116
_cell_length_b 8.68891116
_cell_length_c 8.68891116
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
ChangeAtomAction | 39c21abe-78ed-44e7-be83-7403ff974382 | mp-545706 | Change the atom at index 0 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca3Cu2Br2O4
_chemical_formula_sum "Ca3 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.838674... | data_image0
_chemical_formula_structural FCa2Cu2Br2O4
_chemical_formula_sum "F1 Ca2 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.83... |
ChangeAtomAction | b7a9c35a-9690-439b-b263-8380f9046e8f | mp-1523289 | Change the atom at index 9 into K in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O3KO8
_chemical_formula_sum "Ba1 Ca1 Sn4 O11 K1"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_gr... |
ChangeAtomAction | b74818cf-cbd7-42cb-924f-b7e3a8fdad65 | mp-559163 | Change the atom at index 11 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As3PtAs4O28
_chemical_formula_sum "K4 Fe4 As7 Pt1 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_... |
ChangeAtomAction | c63064d6-3110-4490-a399-7e3960265f4b | mp-1176298 | Change the atom at index 30 into Co 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 2.943337
_cell_length_b 10.048640040000002
_cell_length_c 10.16174457
_cell_angle_alpha 107.81864797
_cell_angle_beta 90.88685677000001
_cell_angle_gamma 91.4144918... | data_image0
_chemical_formula_structural Li9Mn2Co5O14CoO
_chemical_formula_sum "Li9 Mn2 Co6 O15"
_cell_length_a 2.943337
_cell_length_b 10.048640040000002
_cell_length_c 10.16174457
_cell_angle_alpha 107.81864797
_cell_angle_beta 90.88685677000001
_cell_angle_gamma 91.4144... |
ChangeAtomAction | 456d37a1-c60e-447c-b521-66a859ffa810 | mp-550300 | Change the atom at index 7 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbNa7Co2O6
_chemical_formula_sum "Rb1 Na7 Co2 O6"
_cell_length_a 5.87513627
_cell_length_b 5.87513627
_cell_length_c 10.814337349999999
_cell_angle_alpha 88.75479323
_cell_angle_beta 88.75479323
_cell_angle_gamma 44.360227630000004
... | data_image0
_chemical_formula_structural RbNa6ThCo2O6
_chemical_formula_sum "Rb1 Na6 Th1 Co2 O6"
_cell_length_a 5.87513627
_cell_length_b 5.87513627
_cell_length_c 10.814337349999999
_cell_angle_alpha 88.75479323
_cell_angle_beta 88.75479323
_cell_angle_gamma 44.3602276300... |
ChangeAtomAction | a89132e6-681d-44a9-afdb-657ad9d8ec04 | mp-1208371 | Change the atom at index 15 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl3CoCl16O4
_chemical_formula_sum "Tl4 N8 Cl19 Co1 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 8d531647-b5d3-4e26-b896-d6197725a910 | mp-757215 | Change the atom at index 7 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd5As2O12
_chemical_formula_sum "Gd5 As2 O12"
_cell_length_a 6.89701519
_cell_length_b 6.89701519
_cell_length_c 7.3787781
_cell_angle_alpha 74.46528271
_cell_angle_beta 74.46528271
_cell_angle_gamma 51.11359275000001
_space_group_... | data_image0
_chemical_formula_structural Gd5As2SbO11
_chemical_formula_sum "Gd5 As2 Sb1 O11"
_cell_length_a 6.89701519
_cell_length_b 6.89701519
_cell_length_c 7.3787781
_cell_angle_alpha 74.46528271
_cell_angle_beta 74.46528271
_cell_angle_gamma 51.11359275000001
_space_... |
ChangeAtomAction | d90013e7-661c-4a53-8762-b023704ef982 | mp-22244 | Change the atom at index 11 into Md in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd2Cr2O8
_chemical_formula_sum "Gd2 Cr2 O8"
_cell_length_a 5.98567858
_cell_length_b 5.985658249999999
_cell_length_c 5.985555230000001
_cell_angle_alpha 106.16209605
_cell_angle_beta 106.16227016999999
_cell_angle_gamma 116.3140512... | data_image0
_chemical_formula_structural Gd2Cr2O7Md
_chemical_formula_sum "Gd2 Cr2 O7 Md1"
_cell_length_a 5.98567858
_cell_length_b 5.985658249999999
_cell_length_c 5.985555230000001
_cell_angle_alpha 106.16209605
_cell_angle_beta 106.16227016999999
_cell_angle_gamma 116.3... |
ChangeAtomAction | 80e901a9-8692-46b9-bf4e-bda1d945ba6c | mp-643934 | Change the atom at index 1 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu2H4C4O8
_chemical_formula_sum "Cu2 H4 C4 O8"
_cell_length_a 7.982289
_cell_length_b 6.326653
_cell_length_c 8.09958624
_cell_angle_alpha 78.7284835
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural CuCeH4C4O8
_chemical_formula_sum "Cu1 Ce1 H4 C4 O8"
_cell_length_a 7.982289
_cell_length_b 6.326653
_cell_length_c 8.09958624
_cell_angle_alpha 78.7284835
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 2c76fb82-2a2e-4118-b8ca-c4f62069cb61 | mp-1667139 | Change the atom at index 45 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O21TeO6
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O27 Te1"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98... |
ChangeAtomAction | 891ed069-0d23-43a6-89a8-52ed3810106a | mp-1508 | Change the atom at index 15 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural La8S7CuS8
_chemical_formula_sum "La8 S15 Cu1"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | d714f720-7c7b-4972-b847-80dc0110de9a | mp-759889 | Change the atom at index 30 into Sg 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 9.01812527
_cell_length_b 9.01812527
_cell_length_c 9.862150509999998
_cell_angle_alpha 56.81618735
_cell_angle_beta 56.816187349999986
_cell_angle_gamma 71.85790404
_... | data_image0
_chemical_formula_structural Li8V4C8O10SgO13
_chemical_formula_sum "Li8 V4 C8 O23 Sg1"
_cell_length_a 9.01812527
_cell_length_b 9.01812527
_cell_length_c 9.862150509999998
_cell_angle_alpha 56.81618735
_cell_angle_beta 56.816187349999986
_cell_angle_gamma 71.85... |
ChangeAtomAction | 92446cc7-320e-40c0-a9fa-10f135d041df | mp-29249 | Change the atom at index 17 into Dy in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge8As8SeDySe6
_chemical_formula_sum "Ge8 As8 Se7 Dy1"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
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