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 | d32e95b4-a2f9-4e76-80ef-41d5dc866d9a | mp-2217709 | Change the atom at index 4 into Dy in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTiZnBiDyO6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi1 Dy1 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name... |
ChangeAtomAction | 59894b34-7ec8-4ccc-99e3-10379ed6c3b9 | mp-1233110 | 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 MgMn9CdO10
_chemical_formula_sum "Mg1 Mn9 Cd1 O10"
_cell_length_a 5.80873043
_cell_length_b 8.968757620000002
_cell_length_c 5.983389520000001
_cell_angle_alpha 70.53888601
_cell_angle_beta 112.17279914
_cell_angle_gamma 97.07694034... | data_image0
_chemical_formula_structural MgMn9CdO3ScO6
_chemical_formula_sum "Mg1 Mn9 Cd1 O9 Sc1"
_cell_length_a 5.80873043
_cell_length_b 8.968757620000002
_cell_length_c 5.983389520000001
_cell_angle_alpha 70.53888601
_cell_angle_beta 112.17279914
_cell_angle_gamma 97.07... |
ChangeAtomAction | f33c742a-4e04-445d-a9f5-8a65efb7e15e | mp-757037 | Change the atom at index 0 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Fe2Si6O16
_chemical_formula_sum "Li2 Fe2 Si6 O16"
_cell_length_a 7.69853798
_cell_length_b 7.6999349
_cell_length_c 7.11054289
_cell_angle_alpha 83.24422392999999
_cell_angle_beta 109.30920088
_cell_angle_gamma 62.324731889999995... | data_image0
_chemical_formula_structural NiLiFe2Si6O16
_chemical_formula_sum "Ni1 Li1 Fe2 Si6 O16"
_cell_length_a 7.69853798
_cell_length_b 7.6999349
_cell_length_c 7.11054289
_cell_angle_alpha 83.24422392999999
_cell_angle_beta 109.30920088
_cell_angle_gamma 62.3247318899... |
ChangeAtomAction | 278a5494-66bb-431c-9a22-8fe0cc66ece5 | mp-768442 | Change the atom at index 0 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LrLi3Mn4B8O20
_chemical_formula_sum "Lr1 Li3 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | 1564e2ee-c554-4404-9ee8-c510942c8c85 | mp-1310084 | Change the atom at index 0 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... | data_image0
_chemical_formula_structural BCo3O2F6
_chemical_formula_sum "B1 Co3 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space... |
ChangeAtomAction | 2e253b14-95ff-4b62-877f-abdddc175574 | mp-1208575 | Change the atom at index 28 into Ag in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb2Cl6O24
_chemical_formula_sum "Tb2 Cl6 O24"
_cell_length_a 9.40842427
_cell_length_b 9.40841325
_cell_length_c 5.5784382
_cell_angle_alpha 89.99994258999999
_cell_angle_beta 90.00005791
_cell_angle_gamma 120.00012651000002
_space... | data_image0
_chemical_formula_structural Tb2Cl6O20AgO3
_chemical_formula_sum "Tb2 Cl6 O23 Ag1"
_cell_length_a 9.40842427
_cell_length_b 9.40841325
_cell_length_c 5.5784382
_cell_angle_alpha 89.99994258999999
_cell_angle_beta 90.00005791
_cell_angle_gamma 120.00012651000002... |
ChangeAtomAction | 5adc114d-54ca-4c2d-8e6e-29bd09dbe5c4 | mp-554501 | Change the atom at index 31 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba10Os6Cl2O13AuO16
_chemical_formula_sum "Ba10 Os6 Cl2 O29 Au1"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_... |
ChangeAtomAction | 70ba19b6-9f78-4e00-befa-1d4853d8b794 | mp-647450 | Change the atom at index 5 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Ca8Ti4Si8O32F4
_chemical_formula_sum "Na4 Ca8 Ti4 Si8 O32 F4"
_cell_length_a 5.804294
_cell_length_b 7.60714591
_cell_length_c 19.27502629
_cell_angle_alpha 101.30828057000001
_cell_angle_beta 90.28643214
_cell_angle_gamma 89.971... | data_image0
_chemical_formula_structural Na4CaCdCa6Ti4Si8O32F4
_chemical_formula_sum "Na4 Ca7 Cd1 Ti4 Si8 O32 F4"
_cell_length_a 5.804294
_cell_length_b 7.60714591
_cell_length_c 19.27502629
_cell_angle_alpha 101.30828057000001
_cell_angle_beta 90.28643214
_cell_angle_gamma ... |
ChangeAtomAction | 2304ecbc-39fc-4d05-8eeb-09779b7c2ae3 | mp-1078304 | Change the atom at index 8 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Al2Pd4
_chemical_formula_sum "Ca4 Al2 Pd4"
_cell_length_a 5.7552724
_cell_length_b 5.7552724
_cell_length_c 7.739874039999999
_cell_angle_alpha 79.29396929
_cell_angle_beta 79.29396929
_cell_angle_gamma 60.17454648000001
_space_... | data_image0
_chemical_formula_structural Ca4Al2Pd2CaPd
_chemical_formula_sum "Ca5 Al2 Pd3"
_cell_length_a 5.7552724
_cell_length_b 5.7552724
_cell_length_c 7.739874039999999
_cell_angle_alpha 79.29396929
_cell_angle_beta 79.29396929
_cell_angle_gamma 60.17454648000001
_sp... |
ChangeAtomAction | ea36c1ee-078d-42eb-98da-e7f94f23d663 | mp-1101787 | Change the atom at index 8 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si6FeSi3
_chemical_formula_sum "La2 Si9 Fe1"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.622309279... |
ChangeAtomAction | 15069df7-bfd0-4ac1-86cb-723dbcfd8c9b | mp-1220847 | 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 Na6Sm4Ge4Se17
_chemical_formula_sum "Na6 Sm4 Ge4 Se17"
_cell_length_a 12.81247054
_cell_length_b 12.81247054
_cell_length_c 6.99168961
_cell_angle_alpha 78.20347702
_cell_angle_beta 78.20347702
_cell_angle_gamma 51.53427954000001
_... | data_image0
_chemical_formula_structural Na2GaNa3Sm4Ge4Se17
_chemical_formula_sum "Na5 Ga1 Sm4 Ge4 Se17"
_cell_length_a 12.81247054
_cell_length_b 12.81247054
_cell_length_c 6.99168961
_cell_angle_alpha 78.20347702
_cell_angle_beta 78.20347702
_cell_angle_gamma 51.53427954... |
ChangeAtomAction | b791d9c8-0e26-42b3-8a98-8e635ee65a30 | mp-1214585 | Change the atom at index 8 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu3O2TlO3
_chemical_formula_sum "Ba2 Pr1 Cu3 O5 Tl1"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 059081e3-e411-4472-af90-182081925236 | mp-756100 | Change the atom at index 10 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_space_g... | data_image0
_chemical_formula_structural Li2Fe2F6YbF
_chemical_formula_sum "Li2 Fe2 F7 Yb1"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_... |
ChangeAtomAction | 32a03c5f-c3a8-4cb6-b503-daf42469d1a1 | mp-22420 | Change the atom at index 16 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu4Te4O16
_chemical_formula_sum "Cu4 Te4 O16"
_cell_length_a 4.70645473
_cell_length_b 5.51570528
_cell_length_c 10.33112996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.43003011999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Cu4Te4O8SeO7
_chemical_formula_sum "Cu4 Te4 O15 Se1"
_cell_length_a 4.70645473
_cell_length_b 5.51570528
_cell_length_c 10.33112996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.43003011999998
_space_group_name_... |
ChangeAtomAction | 4ac8e867-cb8c-4f3f-bbd6-0fc64a81f4cd | mp-1445089 | Change the atom at index 7 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mo4O12
_chemical_formula_sum "Mo4 O12"
_cell_length_a 5.400018
_cell_length_b 5.44034024
_cell_length_c 7.79665768
_cell_angle_alpha 89.52433034
_cell_angle_beta 89.10702316
_cell_angle_gamma 87.8653719
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mo4O3CdO8
_chemical_formula_sum "Mo4 O11 Cd1"
_cell_length_a 5.400018
_cell_length_b 5.44034024
_cell_length_c 7.79665768
_cell_angle_alpha 89.52433034
_cell_angle_beta 89.10702316
_cell_angle_gamma 87.8653719
_space_group_name_H-M... |
ChangeAtomAction | 9f9226fa-d654-4955-99f0-e8da5ddca2cf | mp-1037834 | Change the atom at index 63 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaMg30SnO32
_chemical_formula_sum "Ca1 Mg30 Sn1 O32"
_cell_length_a 8.637652
_cell_length_b 8.637652
_cell_length_c 8.633019
_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 CaMg30SnO31Pr
_chemical_formula_sum "Ca1 Mg30 Sn1 O31 Pr1"
_cell_length_a 8.637652
_cell_length_b 8.637652
_cell_length_c 8.633019
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 2c7e99bf-e064-4c2c-8a26-8e80a996a74f | mp-27442 | Change the atom at index 12 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Cr4I12
_chemical_formula_sum "Rb4 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_grou... | data_image0
_chemical_formula_structural Rb4Cr4I4BaI7
_chemical_formula_sum "Rb4 Cr4 I11 Ba1"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_spa... |
ChangeAtomAction | 09d21751-cb6f-405d-9b5e-8f1e7804036e | mp-756380 | Change the atom at index 12 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ti3Mn3W2O16
_chemical_formula_sum "Li4 Ti3 Mn3 W2 O16"
_cell_length_a 6.15143785
_cell_length_b 6.04086671
_cell_length_c 9.86907192
_cell_angle_alpha 90.23716336
_cell_angle_beta 91.54654732
_cell_angle_gamma 119.71010629
_spac... | data_image0
_chemical_formula_structural Li4Ti3Mn3W2BhO15
_chemical_formula_sum "Li4 Ti3 Mn3 W2 Bh1 O15"
_cell_length_a 6.15143785
_cell_length_b 6.04086671
_cell_length_c 9.86907192
_cell_angle_alpha 90.23716336
_cell_angle_beta 91.54654732
_cell_angle_gamma 119.71010629
... |
ChangeAtomAction | 25f0a198-e57f-4853-a9d1-dca8cd4c866f | mp-3887 | Change the atom at index 20 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li20FlLi3Ga8N16
_chemical_formula_sum "Li23 Fl1 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.470385330... |
ChangeAtomAction | 610128b6-3aa4-4cd7-aadd-2abd0e1ebd1e | mp-504603 | Change the atom at index 2 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2TlFeF6
_chemical_formula_sum "Cs2 Tl1 Fe1 F6"
_cell_length_a 6.63629189
_cell_length_b 6.636291890000001
_cell_length_c 6.63629189
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... | data_image0
_chemical_formula_structural Cs2NeFeF6
_chemical_formula_sum "Cs2 Ne1 Fe1 F6"
_cell_length_a 6.63629189
_cell_length_b 6.636291890000001
_cell_length_c 6.63629189
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... |
ChangeAtomAction | adb737df-46fc-4aad-8910-1fc2fb8bbb43 | mp-1222029 | Change the atom at index 11 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Ga2Cu6
_chemical_formula_sum "Mn4 Ga2 Cu6"
_cell_length_a 4.88674264
_cell_length_b 4.88674264
_cell_length_c 7.81681554
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998973
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mn4Ga2Cu5Se
_chemical_formula_sum "Mn4 Ga2 Cu5 Se1"
_cell_length_a 4.88674264
_cell_length_b 4.88674264
_cell_length_c 7.81681554
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998973
_space_group_name_H-M_alt... |
ChangeAtomAction | f5c7debe-4f15-4ef3-a7c0-5d0568e38f9c | mp-677509 | Change the atom at index 4 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8N4O10
_chemical_formula_sum "K8 N4 O10"
_cell_length_a 5.48657112
_cell_length_b 5.48657112
_cell_length_c 14.30185623
_cell_angle_alpha 82.54538008999998
_cell_angle_beta 82.54538008999998
_cell_angle_gamma 92.74388174
_space_gr... | data_image0
_chemical_formula_structural K4RuK3N4O10
_chemical_formula_sum "K7 Ru1 N4 O10"
_cell_length_a 5.48657112
_cell_length_b 5.48657112
_cell_length_c 14.30185623
_cell_angle_alpha 82.54538008999998
_cell_angle_beta 82.54538008999998
_cell_angle_gamma 92.74388174
_... |
ChangeAtomAction | 62573ac8-f6e5-47c7-87e4-dd439e90ee13 | mp-1006615 | Change the atom at index 44 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Cu4N24Cl20
_chemical_formula_sum "Cr4 Cu4 N24 Cl20"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_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 Cr4Cu4N24Cl12TbCl7
_chemical_formula_sum "Cr4 Cu4 N24 Cl19 Tb1"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | de982040-ff6c-4883-b0c3-ab72570fc61a | mp-1224058 | Change the atom at index 14 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6S2O2F4RhF5
_chemical_formula_sum "Ho6 S2 O2 F9 Rh1"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | 6c247c6e-e75e-4ea0-8d6e-a9a09fceb6e0 | mp-1176656 | Change the atom at index 10 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn4O8
_chemical_formula_sum "Li2 Mn4 O8"
_cell_length_a 5.20771099
_cell_length_b 5.7609224999999995
_cell_length_c 5.91167837
_cell_angle_alpha 117.27694343
_cell_angle_beta 89.6299966
_cell_angle_gamma 106.47153499999999
_spac... | data_image0
_chemical_formula_structural Li2Mn4O4VO3
_chemical_formula_sum "Li2 Mn4 O7 V1"
_cell_length_a 5.20771099
_cell_length_b 5.7609224999999995
_cell_length_c 5.91167837
_cell_angle_alpha 117.27694343
_cell_angle_beta 89.6299966
_cell_angle_gamma 106.47153499999999
... |
ChangeAtomAction | 2cfd568e-76db-41b6-a24c-94c357aa27d3 | mp-672679 | Change the atom at index 6 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y6HsY9In4Ir4
_chemical_formula_sum "Y15 Hs1 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.99984467999999... |
ChangeAtomAction | c2b74c9c-f422-4f40-99dc-0a02998b955e | mp-29082 | Change the atom at index 4 into Pm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... | data_image0
_chemical_formula_structural Ba4PmBa5Cr2N10
_chemical_formula_sum "Ba9 Pm1 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.077904... |
ChangeAtomAction | df669a6c-8b92-41b2-b71f-e631f424318a | mp-28301 | Change the atom at index 39 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Os8Br32
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 Os8Br31Na
_chemical_formula_sum "Os8 Br31 Na1"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | 24f7a5ed-3a7f-4a83-b1b7-b1d66f2c4ec0 | mp-1211356 | Change the atom at index 14 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Tc4O8
_chemical_formula_sum "K4 Tc4 O8"
_cell_length_a 7.73828448
_cell_length_b 7.73828448
_cell_length_c 7.73828448
_cell_angle_alpha 130.56512102
_cell_angle_beta 130.56512102
_cell_angle_gamma 72.50492760000002
_space_group_n... | data_image0
_chemical_formula_structural K4Tc4O6TcO
_chemical_formula_sum "K4 Tc5 O7"
_cell_length_a 7.73828448
_cell_length_b 7.73828448
_cell_length_c 7.73828448
_cell_angle_alpha 130.56512102
_cell_angle_beta 130.56512102
_cell_angle_gamma 72.50492760000002
_space_grou... |
ChangeAtomAction | 8adc96ce-e7b5-47cc-8fd8-7343b8c61b45 | mp-1048118 | Change the atom at index 20 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Y2Ti8O14
_chemical_formula_sum "Ba2 Y2 Ti8 O14"
_cell_length_a 6.38298461
_cell_length_b 6.38298461
_cell_length_c 10.696846
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Y2Ti8O8RuO5
_chemical_formula_sum "Ba2 Y2 Ti8 O13 Ru1"
_cell_length_a 6.38298461
_cell_length_b 6.38298461
_cell_length_c 10.696846
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-... |
ChangeAtomAction | 3f87ba17-1428-42e3-8c79-3db5d852f1bc | mp-1223027 | Change the atom at index 6 into Be in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LaB4Rh7
_chemical_formula_sum "La1 B4 Rh7"
_cell_length_a 2.916881
_cell_length_b 5.61440357
_cell_length_c 9.67184657
_cell_angle_alpha 89.99999553000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaB4RhBeRh5
_chemical_formula_sum "La1 B4 Rh6 Be1"
_cell_length_a 2.916881
_cell_length_b 5.61440357
_cell_length_c 9.67184657
_cell_angle_alpha 89.99999553000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | fbb1dcf7-1239-413e-8c2e-565374583a20 | mp-1227552 | Change the atom at index 23 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8Al4Fe4O20
_chemical_formula_sum "Ca8 Al4 Fe4 O20"
_cell_length_a 5.309852
_cell_length_b 5.447503
_cell_length_c 15.042727
_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 Ca8Al4Fe4O7SbO12
_chemical_formula_sum "Ca8 Al4 Fe4 O19 Sb1"
_cell_length_a 5.309852
_cell_length_b 5.447503
_cell_length_c 15.042727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | e782d359-6296-43c5-b074-ddd586c45ced | mp-779754 | Change the atom at index 34 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... | data_image0
_chemical_formula_structural Na10Ni4As2C8O10HO21
_chemical_formula_sum "Na10 Ni4 As2 C8 O31 H1"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma ... |
ChangeAtomAction | 4580561d-58c5-4b02-a12a-b818c51474a2 | mp-762633 | Change the atom at index 0 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... | data_image0
_chemical_formula_structural FmMn2NiO6
_chemical_formula_sum "Fm1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... |
ChangeAtomAction | b85ce342-dd41-4a7b-b641-d76dc4dc4c45 | mp-1210214 | Change the atom at index 3 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2NbHgNb2Bi4O18
_chemical_formula_sum "Na2 Nb3 Hg1 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | e1d34a37-a431-44ec-a178-ebac83640314 | mp-1075693 | Change the atom at index 16 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... | data_image0
_chemical_formula_structural Mg10Si6XeSi11
_chemical_formula_sum "Mg10 Si17 Xe1"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699... |
ChangeAtomAction | 4fe93eeb-16fa-417c-820a-e096a7633302 | mp-1076053 | Change the atom at index 3 into Pa in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Cu4O10
_chemical_formula_sum "La4 Cu4 O10"
_cell_length_a 8.94342395
_cell_length_b 8.94342395
_cell_length_c 8.94342395
_cell_angle_alpha 145.06155881000004
_cell_angle_beta 143.78021110999998
_cell_angle_gamma 51.20585973000001... | data_image0
_chemical_formula_structural La3PaCu4O10
_chemical_formula_sum "La3 Pa1 Cu4 O10"
_cell_length_a 8.94342395
_cell_length_b 8.94342395
_cell_length_c 8.94342395
_cell_angle_alpha 145.06155881000004
_cell_angle_beta 143.78021110999998
_cell_angle_gamma 51.20585973... |
ChangeAtomAction | 4e9e1f39-977b-4a70-97ee-6f9df8769d52 | mp-1207806 | Change the atom at index 2 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y8Al2
_chemical_formula_sum "Y8 Al2"
_cell_length_a 7.91163534
_cell_length_b 7.91163534
_cell_length_c 7.911635339999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Y2NbY5Al2
_chemical_formula_sum "Y7 Nb1 Al2"
_cell_length_a 7.91163534
_cell_length_b 7.91163534
_cell_length_c 7.911635339999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999... |
ChangeAtomAction | aaa2306d-855a-4430-ae82-1c83fcf1decf | mp-1220988 | Change the atom at index 3 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Tl6S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Na2TlZrTl4S4
_chemical_formula_sum "Na2 Tl5 Zr1 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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 | c5d420b4-79f5-4b46-8b8e-bbb165c2d5f2 | mp-1114234 | Change the atom at index 8 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiRhF4NoF
_chemical_formula_sum "Na2 Li1 Rh1 F5 No1"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
ChangeAtomAction | 5c7b23e1-f362-4b36-bc27-3e1b7f038144 | mp-545404 | Change the atom at index 4 into Ge in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2AlGeO7
_chemical_formula_sum "Sr1 Gd2 Al1 Ge1 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998... |
ChangeAtomAction | 2ae727ed-5c9a-454e-a5dc-68636c43e199 | mp-38090 | Change the atom at index 15 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu3CaCu2O24
_chemical_formula_sum "Fe12 Cu5 Ca1 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.097150769... |
ChangeAtomAction | 2e7b856e-5a5e-4bc8-88d3-4d603d470bd0 | mp-504962 | Change the atom at index 38 into Rn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Na12In4O16
_chemical_formula_sum "K8 Na12 In4 O16"
_cell_length_a 7.639542
_cell_length_b 9.381563
_cell_length_c 9.658423
_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 K8Na12In4O14RnO
_chemical_formula_sum "K8 Na12 In4 O15 Rn1"
_cell_length_a 7.639542
_cell_length_b 9.381563
_cell_length_c 9.658423
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | cd2dda65-5b2d-49d1-be12-192aedb4e7b4 | mp-759254 | Change the atom at index 46 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O22PuO25
_chemical_formula_sum "Li2 Bi8 P14 O47 Pu1"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104... |
ChangeAtomAction | 5104fb37-9fe3-4c15-ae89-945fccb870f3 | mp-1035395 | Change the atom at index 11 into Co 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 Mg11CoMg2VCuO16
_chemical_formula_sum "Mg13 Co1 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 ... |
ChangeAtomAction | 5d7ed888-0b8f-4c48-92eb-ee23bebe69d3 | mp-1181827 | Change the atom at index 41 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er12N4F40
_chemical_formula_sum "Er12 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er12N4F25PF14
_chemical_formula_sum "Er12 N4 F39 P1"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H... |
ChangeAtomAction | 3764401d-4e9e-4842-b0d1-132427bd0bc1 | mp-1042551 | Change the atom at index 2 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Ni4O8
_chemical_formula_sum "Ca2 Ni4 O8"
_cell_length_a 3.07397165
_cell_length_b 7.89939956
_cell_length_c 6.7700861
_cell_angle_alpha 79.16450951
_cell_angle_beta 76.8589344
_cell_angle_gamma 78.7803237
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ca2SnNi3O8
_chemical_formula_sum "Ca2 Sn1 Ni3 O8"
_cell_length_a 3.07397165
_cell_length_b 7.89939956
_cell_length_c 6.7700861
_cell_angle_alpha 79.16450951
_cell_angle_beta 76.8589344
_cell_angle_gamma 78.7803237
_space_group_name... |
ChangeAtomAction | 0ae4c196-5401-4d35-af09-17ba9feb16f5 | mp-1208988 | Change the atom at index 17 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm3Ni9Sn6
_chemical_formula_sum "Sm3 Ni9 Sn6"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sm3Ni9Sn5Yb
_chemical_formula_sum "Sm3 Ni9 Sn5 Yb1"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 47369e6f-8303-49b7-82b8-e48d5ff848a5 | mp-510041 | Change the atom at index 15 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 Hf8Ni7RuSn4
_chemical_formula_sum "Hf8 Ni7 Ru1 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 | f4250bec-b4ae-4d3d-8037-e504bf521502 | mp-1215346 | 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 Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4AlBAl2Cr4
_chemical_formula_sum "Zr4 Al3 B1 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M... |
ChangeAtomAction | 3e68f266-da7e-484c-822f-8a6f848dad36 | mp-20461 | Change the atom at index 9 into Rh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural Ba2Pb2O5Rh
_chemical_formula_sum "Ba2 Pb2 O5 Rh1"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
... |
ChangeAtomAction | fcc220bd-335f-4907-8abd-1a8f225bdc08 | mp-1192939 | Change the atom at index 1 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural ScNbSc4Co16Si7
_chemical_formula_sum "Sc5 Nb1 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
ChangeAtomAction | d7dba0de-6ef6-42b8-9974-493e35521ca0 | mp-756019 | Change the atom at index 11 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Si2Ni2O8
_chemical_formula_sum "Li3 Si2 Ni2 O8"
_cell_length_a 4.965421
_cell_length_b 5.34370819
_cell_length_c 6.415115120000001
_cell_angle_alpha 89.99352269
_cell_angle_beta 89.875702
_cell_angle_gamma 89.49667666
_space_gro... | data_image0
_chemical_formula_structural Li3Si2Ni2O4IO3
_chemical_formula_sum "Li3 Si2 Ni2 O7 I1"
_cell_length_a 4.965421
_cell_length_b 5.34370819
_cell_length_c 6.415115120000001
_cell_angle_alpha 89.99352269
_cell_angle_beta 89.875702
_cell_angle_gamma 89.49667666
_spa... |
ChangeAtomAction | 9d3f4509-0206-4177-b670-944e342f79b0 | mp-778114 | Change the atom at index 18 into I in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Ge4O14
_chemical_formula_sum "Sm4 Ge4 O14"
_cell_length_a 7.19831875
_cell_length_b 7.19831875
_cell_length_c 7.19831875
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Sm4Ge4O10IO3
_chemical_formula_sum "Sm4 Ge4 O13 I1"
_cell_length_a 7.19831875
_cell_length_b 7.19831875
_cell_length_c 7.19831875
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
ChangeAtomAction | af8c6870-7d0e-4773-8256-0d26fd957db9 | mp-984755 | Change the atom at index 15 into Cm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O3CmO18
_chemical_formula_sum "Nb8 Ag4 O21 Cm1"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 2... |
ChangeAtomAction | 91412fb0-de8c-4923-aae8-bbb41ed19449 | mp-705004 | Change the atom at index 40 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li2Ni2P10O26WO3
_chemical_formula_sum "Li2 Ni2 P10 O29 W1"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | 7d5e48a5-c964-467c-9009-7245b8b9d38b | mp-1022621 | Change the atom at index 2 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 Mg2RbMg9Zn2Cu2
_chemical_formula_sum "Mg11 Rb1 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | db87e196-cfda-4508-99cb-0b7d60d0b4a6 | mp-2218385 | Change the atom at index 2 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MgMnHsMn2O4F4
_chemical_formula_sum "Mg1 Mn3 Hs1 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_s... |
ChangeAtomAction | b41b5726-5e89-40c4-a91d-76e44d6b1e8c | mp-1036452 | Change the atom at index 20 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_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 Mg14AlBiO4ZnO11
_chemical_formula_sum "Mg14 Al1 Bi1 O15 Zn1"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 4fe7742f-ecbb-48b5-b5e3-e517e808b0f2 | mp-706913 | Change the atom at index 13 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be2H16N4O20
_chemical_formula_sum "Be2 H16 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_group_n... | data_image0
_chemical_formula_structural Be2H11KrH4N4O20
_chemical_formula_sum "Be2 H15 Kr1 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space... |
ChangeAtomAction | b4307b58-e09b-4907-89a0-74046bba5770 | mp-766284 | Change the atom at index 53 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_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 Sr16Ru12O25XeO22
_chemical_formula_sum "Sr16 Ru12 O47 Xe1"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | ec1db9af-9377-4cee-b185-1ca435a88691 | mp-1245691 | Change the atom at index 76 into H in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V8Fe56N32
_chemical_formula_sum "V8 Fe56 N32"
_cell_length_a 9.80419857
_cell_length_b 9.80419857
_cell_length_c 9.80419857
_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 V8Fe56N12HN19
_chemical_formula_sum "V8 Fe56 N31 H1"
_cell_length_a 9.80419857
_cell_length_b 9.80419857
_cell_length_c 9.80419857
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 0b400038-5a7f-4e4e-85cc-c7092e71007b | mp-1073789 | Change the atom at index 8 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6Si6
_chemical_formula_sum "Mg6 Si6"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
_spac... | data_image0
_chemical_formula_structural Mg6Si2CrSi3
_chemical_formula_sum "Mg6 Si5 Cr1"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.484752... |
ChangeAtomAction | ab4584a3-f554-4ea6-927f-73ffacc70ce3 | mp-18561 | Change the atom at index 12 into Bi in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga4As2Rh10
_chemical_formula_sum "Ga4 As2 Rh10"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ga4As2Rh6BiRh3
_chemical_formula_sum "Ga4 As2 Rh9 Bi1"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
ChangeAtomAction | 45c3509e-8c0a-4d66-9a84-485deb837341 | mp-703276 | Change the atom at index 13 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca5Al11TlSi13O48
_chemical_formula_sum "Ca5 Al11 Tl1 Si13 O48"
_cell_length_a 12.320894
_cell_length_b 12.39592088
_cell_length_c 12.54557697
_cell_angle_alpha 89.49723168000001
_cell_angle_beta 89.72696025
_cell_angle_gamma 89.6156... | data_image0
_chemical_formula_structural Ca5Al8CuAl2TlSi13O48
_chemical_formula_sum "Ca5 Al10 Cu1 Tl1 Si13 O48"
_cell_length_a 12.320894
_cell_length_b 12.39592088
_cell_length_c 12.54557697
_cell_angle_alpha 89.49723168000001
_cell_angle_beta 89.72696025
_cell_angle_gamma ... |
ChangeAtomAction | b62b505c-f4f2-41f1-83a0-897df4b51c41 | mp-756652 | Change the atom at index 23 into Dy in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... | data_image0
_chemical_formula_structural Co4P4O15Dy
_chemical_formula_sum "Co4 P4 O15 Dy1"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_sp... |
ChangeAtomAction | 7ea63a0c-1414-4f79-a5d8-b6c759e0b8d3 | mp-758643 | Change the atom at index 22 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4C8O24
_chemical_formula_sum "V4 C8 O24"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural V4C8O10CdO13
_chemical_formula_sum "V4 C8 O23 Cd1"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
ChangeAtomAction | 953602f3-656b-4f09-9040-96e6108fcc8b | mp-1521558 | Change the atom at index 9 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaCaCeHfO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Hf1 O6"
_cell_length_a 6.07907498
_cell_length_b 6.07907498
_cell_length_c 6.07907498
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural BaCaCeHfO5Cr
_chemical_formula_sum "Ba1 Ca1 Ce1 Hf1 O5 Cr1"
_cell_length_a 6.07907498
_cell_length_b 6.07907498
_cell_length_c 6.07907498
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
ChangeAtomAction | f6687d29-1c2b-4eae-9ad3-759d1a4cc1be | mp-772524 | Change the atom at index 31 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Ti4P6O24
_chemical_formula_sum "Li2 Ti4 P6 O24"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789713700... | data_image0
_chemical_formula_structural Li2Ti4P6O19XeO4
_chemical_formula_sum "Li2 Ti4 P6 O23 Xe1"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.47... |
ChangeAtomAction | afbc9107-d80b-4318-9e57-37c659d8c493 | mp-755871 | Change the atom at index 10 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6O7F5
_chemical_formula_sum "V6 O7 F5"
_cell_length_a 5.614968
_cell_length_b 5.62936007
_cell_length_c 7.39209879
_cell_angle_alpha 71.90979678
_cell_angle_beta 72.51004462
_cell_angle_gamma 71.80766807
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V6O4ClO2F5
_chemical_formula_sum "V6 O6 Cl1 F5"
_cell_length_a 5.614968
_cell_length_b 5.62936007
_cell_length_c 7.39209879
_cell_angle_alpha 71.90979678
_cell_angle_beta 72.51004462
_cell_angle_gamma 71.80766807
_space_group_name_... |
ChangeAtomAction | 0f62e56f-3550-4c93-958e-5b3d7def6d2c | mp-1199756 | Change the atom at index 51 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4N28O32
_chemical_formula_sum "Co4 N28 O32"
_cell_length_a 6.134346
_cell_length_b 10.837765
_cell_length_c 16.253865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Co4N28O19AuO12
_chemical_formula_sum "Co4 N28 O31 Au1"
_cell_length_a 6.134346
_cell_length_b 10.837765
_cell_length_c 16.253865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 757d1977-e597-4f5b-bd00-0bdc12d61463 | mp-1039932 | Change the atom at index 4 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaLaMg30O32
_chemical_formula_sum "Na1 La1 Mg30 O32"
_cell_length_a 8.63751
_cell_length_b 8.63751
_cell_length_c 8.633607
_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 NaLaMg2PtMg27O32
_chemical_formula_sum "Na1 La1 Mg29 Pt1 O32"
_cell_length_a 8.63751
_cell_length_b 8.63751
_cell_length_c 8.633607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | c0eef3db-c3bc-41d5-9afd-dd732ab515d0 | mp-1217947 | Change the atom at index 13 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag5CfAg2O24
_chemical_formula_sum "Ta4 Nb4 Ag7 Cf1 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 191770cb-4923-42ff-b3ba-274e27f5a33b | mp-1518357 | Change the atom at index 5 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural Eu2HfNbOHfO4
_chemical_formula_sum "Eu2 Hf2 Nb1 O5"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_... |
ChangeAtomAction | e4504616-c175-4550-9a84-063e461c9e97 | mp-1198401 | Change the atom at index 36 into Cm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Th4N12F28
_chemical_formula_sum "Th4 N12 F28"
_cell_length_a 6.756986
_cell_length_b 7.83859
_cell_length_c 14.488789
_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 Th4N12F20CmF7
_chemical_formula_sum "Th4 N12 F27 Cm1"
_cell_length_a 6.756986
_cell_length_b 7.83859
_cell_length_c 14.488789
_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 | 2b033242-87bf-4c5a-8659-cd163a919fa5 | mp-555271 | Change the atom at index 21 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Zn4Cl2F14
_chemical_formula_sum "Ba4 Zn4 Cl2 F14"
_cell_length_a 5.89018
_cell_length_b 7.831345
_cell_length_c 9.0590304
_cell_angle_alpha 73.1898838
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ba4Zn4Cl2F11BhF2
_chemical_formula_sum "Ba4 Zn4 Cl2 F13 Bh1"
_cell_length_a 5.89018
_cell_length_b 7.831345
_cell_length_c 9.0590304
_cell_angle_alpha 73.1898838
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | a1266ece-539a-4f94-9102-9bb2d789750e | mp-1191974 | Change the atom at index 8 into Th in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... | data_image0
_chemical_formula_structural Ca2Ge2P4ThO15
_chemical_formula_sum "Ca2 Ge2 P4 Th1 O15"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_... |
ChangeAtomAction | 22383fca-fd0e-408b-a28c-9a25532e8ab9 | mp-755971 | Change the atom at index 6 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... | data_image0
_chemical_formula_structural Li2Mn3TeBaO7
_chemical_formula_sum "Li2 Mn3 Te1 Ba1 O7"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_s... |
ChangeAtomAction | b246b0c5-f1f3-4cbd-bb44-0e67a93cbe52 | mp-2226963 | Change the atom at index 0 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... | data_image0
_chemical_formula_structural AtRb2NaMgW2O8
_chemical_formula_sum "At1 Rb2 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_sp... |
ChangeAtomAction | 16baef46-0e0b-4ad8-bd06-f5d5c802338b | mp-1206898 | Change the atom at index 2 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y4In2Ge4
_chemical_formula_sum "Y4 In2 Ge4"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Y2TeYIn2Ge4
_chemical_formula_sum "Y3 Te1 In2 Ge4"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
ChangeAtomAction | 5a75467c-e84e-4505-95ce-6a955ef2bbdf | mp-752535 | Change the atom at index 20 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta2In6O14
_chemical_formula_sum "Ta2 In6 O14"
_cell_length_a 6.43051677
_cell_length_b 6.43051677
_cell_length_c 7.316525
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.47602686
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta2In6O12PuO
_chemical_formula_sum "Ta2 In6 O13 Pu1"
_cell_length_a 6.43051677
_cell_length_b 6.43051677
_cell_length_c 7.316525
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.47602686
_space_group_name_H-M_alt ... |
ChangeAtomAction | 19020d1e-071b-452c-a8c0-86c219339de1 | mp-1200969 | Change the atom at index 25 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_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 B12Pb12NRbN2O40
_chemical_formula_sum "B12 Pb12 N3 Rb1 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | 6f564418-eae4-473c-8b41-d1a269cfdcb7 | mp-557123 | Change the atom at index 14 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si2CrSi9O32
_chemical_formula_sum "Na8 Cu4 Si11 Cr1 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | 24b28505-bcd8-418c-afc1-5525e972a02c | mp-1209411 | Change the atom at index 6 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr6McPrSi12Pd4
_chemical_formula_sum "Pr7 Mc1 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_... |
ChangeAtomAction | f5ed5e0e-b381-4470-9733-dba738fdc6cd | mp-2230889 | Change the atom at index 15 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO8TcO3
_chemical_formula_sum "Mg1 V5 Fe1 O11 Tc1"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
... |
ChangeAtomAction | 0d6626d6-b130-4a17-869d-d9d4de293fcb | mp-1175318 | Change the atom at index 44 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583734
_sp... | data_image0
_chemical_formula_structural Li14Mn10O20CO3
_chemical_formula_sum "Li14 Mn10 O23 C1"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.958373... |
ChangeAtomAction | 7e04b264-19fd-40a2-aa5a-2b49e2c2688f | mp-1017159 | Change the atom at index 11 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_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 Rb2Mg9NiMg2C2
_chemical_formula_sum "Rb2 Mg11 Ni1 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | 68af4f4a-61e0-49af-9a21-c8358ab4a974 | mp-1198084 | Change the atom at index 18 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... | data_image0
_chemical_formula_structural Ca6S6O6OsO20
_chemical_formula_sum "Ca6 S6 O26 Os1"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.5... |
ChangeAtomAction | b5b50b09-34b2-4614-85bf-32fe49b63526 | mp-1028157 | Change the atom at index 6 into Ca 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 Mg6CaMg7MnCu
_chemical_formula_sum "Mg13 Ca1 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 | 2f5c49f5-d864-4534-8aa4-30afad304a12 | mp-541221 | Change the atom at index 16 into Md in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H10MdHN12O30
_chemical_formula_sum "Ba6 H11 Md1 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space... |
ChangeAtomAction | 5d367ef7-44c1-4493-b909-0752b6e551af | mp-769628 | Change the atom at index 16 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li8V6Cr2ZrO15
_chemical_formula_sum "Li8 V6 Cr2 Zr1 O15"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma ... |
ChangeAtomAction | e308eea8-3d8d-49b1-a1a6-30c46e8ede66 | mp-697575 | Change the atom at index 22 into Pd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Rb8Zn4H10PdH5
_chemical_formula_sum "Rb8 Zn4 H15 Pd1"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 0d2f87bf-c24f-4949-8236-7eb86dfc97c0 | mp-1042619 | Change the atom at index 15 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCu3Sn4O12
_chemical_formula_sum "Mg1 Cu3 Sn4 O12"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural MgCu3Sn4O7GaO4
_chemical_formula_sum "Mg1 Cu3 Sn4 O11 Ga1"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_s... |
ChangeAtomAction | 60ac9022-d7c6-46b5-a303-7e7ccf51496d | mp-753904 | Change the atom at index 11 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn7O7F
_chemical_formula_sum "Mn7 O7 F1"
_cell_length_a 3.53626224
_cell_length_b 3.53626224
_cell_length_c 19.569485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000443
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn7O4NaO2F
_chemical_formula_sum "Mn7 O6 Na1 F1"
_cell_length_a 3.53626224
_cell_length_b 3.53626224
_cell_length_c 19.569485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000443
_space_group_name_H-M_alt ... |
ChangeAtomAction | d0971dfa-3326-4f18-8720-e4a7c466028e | mp-721707 | Change the atom at index 14 into Ge in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H14GeH9C12N16O12
_chemical_formula_sum "H23 Ge1 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.... |
ChangeAtomAction | 16e75880-87ab-4677-a73b-7ebb0067a61d | mp-756068 | Change the atom at index 19 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 Li4V4O4F7TiF4
_chemical_formula_sum "Li4 V4 O4 F11 Ti1"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 74f8fdee-2c84-4644-8a41-5741943eb6ce | mp-1246932 | Change the atom at index 2 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_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 Ba2CaBa25Hf4N24
_chemical_formula_sum "Ba27 Ca1 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | f81aeb12-d67f-4290-9c49-2fe6c6525b75 | mp-736701 | Change the atom at index 63 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O39Ne
_chemical_formula_sum "P16 Pt4 I4 O39 Ne1"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | acb8d68c-3d5e-4d54-8f24-7ce08b5e3a98 | mp-2228606 | Change the atom at index 7 into Pb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_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 Ba2LaMgCu3PbO6
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 Pb1 O6"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 5458e651-aa73-4535-bc8b-0c3fdbc8b906 | mp-608551 | 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 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 Ti2Al4Br6AuBr9
_chemical_formula_sum "Ti2 Al4 Br15 Au1"
_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"... |
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