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 | dea801ec-efb6-429b-9856-3f98634a89eb | mp-19357 | Change the atom at index 3 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Cr2O6
_chemical_formula_sum "La2 Cr2 O6"
_cell_length_a 5.45720057
_cell_length_b 5.45720004
_cell_length_c 5.45749681
_cell_angle_alpha 61.134429309999994
_cell_angle_beta 61.134430159999994
_cell_angle_gamma 61.13540772999999
... | data_image0
_chemical_formula_structural La2CrBrO6
_chemical_formula_sum "La2 Cr1 Br1 O6"
_cell_length_a 5.45720057
_cell_length_b 5.45720004
_cell_length_c 5.45749681
_cell_angle_alpha 61.134429309999994
_cell_angle_beta 61.134430159999994
_cell_angle_gamma 61.13540772999... |
ChangeAtomAction | 12a826de-ccff-433a-83e8-fdb1504a8c8e | mp-1208360 | Change the atom at index 0 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb2Tl2W4O16
_chemical_formula_sum "Tb2 Tl2 W4 O16"
_cell_length_a 7.65111493
_cell_length_b 7.651114930000001
_cell_length_c 7.497773409999999
_cell_angle_alpha 62.4349798
_cell_angle_beta 62.4349798
_cell_angle_gamma 88.55985652000... | data_image0
_chemical_formula_structural SbTbTl2W4O16
_chemical_formula_sum "Sb1 Tb1 Tl2 W4 O16"
_cell_length_a 7.65111493
_cell_length_b 7.651114930000001
_cell_length_c 7.497773409999999
_cell_angle_alpha 62.4349798
_cell_angle_beta 62.4349798
_cell_angle_gamma 88.559856... |
ChangeAtomAction | 8c4d2549-d73c-4786-8b3d-f6ec39c98f83 | mp-1120783 | Change the atom at index 43 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C13MtC16
_chemical_formula_sum "Al30 C29 Mt1"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 61b1e143-2011-4ee4-bc52-83cd595fff91 | mp-1237028 | Change the atom at index 5 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 K4GaTcGa2P8H8
_chemical_formula_sum "K4 Ga3 Tc1 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | f64805ab-fa87-43f1-b609-f87fd2ae158f | mp-759335 | Change the atom at index 2 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li2ArLi7V6P16O58
_chemical_formula_sum "Li9 Ar1 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_spac... |
ChangeAtomAction | 19912330-d452-4d22-bb3a-b371d5931745 | mp-1210947 | Change the atom at index 23 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O15Br
_chemical_formula_sum "Lu2 Ag2 W4 O15 Br1"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_s... |
ChangeAtomAction | 811b4ef4-493f-4781-aee8-e97ef6c71ed0 | mp-1188318 | Change the atom at index 17 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si2H16
_chemical_formula_sum "Si2 H16"
_cell_length_a 5.53813922
_cell_length_b 5.55217752
_cell_length_c 7.5952981
_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 Si2H15N
_chemical_formula_sum "Si2 H15 N1"
_cell_length_a 5.53813922
_cell_length_b 5.55217752
_cell_length_c 7.5952981
_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... |
ChangeAtomAction | 31625cb4-294b-4828-93ce-6cfbfdc0b23b | mp-1028063 | Change the atom at index 3 into W in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14MnGa
_chemical_formula_sum "Mg14 Mn1 Ga1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg3WMg10MnGa
_chemical_formula_sum "Mg13 W1 Mn1 Ga1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_al... |
ChangeAtomAction | a21298f9-7d35-4130-ae8f-9dde4f701e58 | mp-773047 | Change the atom at index 25 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K3Nb6P3O24
_chemical_formula_sum "K3 Nb6 P3 O24"
_cell_length_a 8.52236369
_cell_length_b 8.52236369
_cell_length_c 8.52236338
_cell_angle_alpha 104.13103007
_cell_angle_beta 104.13103007
_cell_angle_gamma 104.13102101
_space_group... | data_image0
_chemical_formula_structural K3Nb6P3O13RuO10
_chemical_formula_sum "K3 Nb6 P3 O23 Ru1"
_cell_length_a 8.52236369
_cell_length_b 8.52236369
_cell_length_c 8.52236338
_cell_angle_alpha 104.13103007
_cell_angle_beta 104.13103007
_cell_angle_gamma 104.13102101
_sp... |
ChangeAtomAction | c43a7f89-7e96-40f6-b22d-1f8541b6186e | mp-766119 | Change the atom at index 54 into Bi in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V8Si8O36
_chemical_formula_sum "Li8 V8 Si8 O36"
_cell_length_a 5.26542
_cell_length_b 8.415311
_cell_length_c 14.175306
_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 Li8V8Si8O30BiO5
_chemical_formula_sum "Li8 V8 Si8 O35 Bi1"
_cell_length_a 5.26542
_cell_length_b 8.415311
_cell_length_c 14.175306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 1833b5b3-aa3e-4017-ab89-59eca4902f32 | mp-14926 | Change the atom at index 0 into Pd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Sc4F28
_chemical_formula_sum "Sr8 Sc4 F28"
_cell_length_a 12.19979834
_cell_length_b 5.42556548
_cell_length_c 8.2382499
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural PdSr7Sc4F28
_chemical_formula_sum "Pd1 Sr7 Sc4 F28"
_cell_length_a 12.19979834
_cell_length_b 5.42556548
_cell_length_c 8.2382499
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 20ee3c25-5ac8-4a7e-9a45-e43e71a5119a | mp-759828 | Change the atom at index 9 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P3OH4O20
_chemical_formula_sum "Li2 Mn2 V2 P3 O21 H4"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.9278... |
ChangeAtomAction | 37de5cf0-2287-439c-b375-f64d1eda07eb | mp-2715503 | Change the atom at index 76 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O44TcO3
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O47 Tc1"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90... |
ChangeAtomAction | ff6d25de-bc5c-43e2-a252-f73a88e7588a | mp-1185821 | Change the atom at index 35 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg16Ni8H32
_chemical_formula_sum "Mg16 Ni8 H32"
_cell_length_a 6.36824
_cell_length_b 6.455967
_cell_length_c 13.102415
_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 Mg16Ni8H11McH20
_chemical_formula_sum "Mg16 Ni8 H31 Mc1"
_cell_length_a 6.36824
_cell_length_b 6.455967
_cell_length_c 13.102415
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | b15385bc-ca14-46a2-8967-b6ff1857484a | mp-777622 | Change the atom at index 10 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 5.272201
_cell_length_b 5.36776833
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_angle_beta 100.39341786999998
_cell_angle_gamma 118.91149969... | data_image0
_chemical_formula_structural Li4Fe4F2BF9
_chemical_formula_sum "Li4 Fe4 F11 B1"
_cell_length_a 5.272201
_cell_length_b 5.36776833
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_angle_beta 100.39341786999998
_cell_angle_gamma 118.911... |
ChangeAtomAction | 98d2b566-4c96-455d-84b5-9a4af5b00682 | mp-758495 | Change the atom at index 44 into Lu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O20LuO7
_chemical_formula_sum "Li8 Co8 C8 O27 Lu1"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 16e1b584-513c-45c1-ad01-feeb5f2139f5 | mp-1026788 | Change the atom at index 2 into P in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMgPMg12Ga
_chemical_formula_sum "La1 Mg13 P1 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt... |
ChangeAtomAction | 7b667f8c-89bb-4452-a90e-5d67f5716980 | mp-1193800 | Change the atom at index 18 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf18Re8Se2
_chemical_formula_sum "Hf18 Re8 Se2"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 8.616004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Hf18CoRe7Se2
_chemical_formula_sum "Hf18 Co1 Re7 Se2"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 8.616004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H-M_alt... |
ChangeAtomAction | 4f90c395-aa57-4848-9673-19714b340a03 | mp-1227353 | Change the atom at index 2 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 Ce2InCeNi2Sn4Pt2
_chemical_formula_sum "Ce3 In1 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 4c648a4d-b7e2-4f0f-990c-8429c7dc0ef3 | mp-752785 | Change the atom at index 14 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4U4O6RuO10
_chemical_formula_sum "Sm4 U4 O16 Ru1"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_n... |
ChangeAtomAction | b765bbee-15a8-48cb-a589-35fbf7bf83f8 | mp-754915 | Change the atom at index 6 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... | data_image0
_chemical_formula_structural Na2Fe2O2NpO3
_chemical_formula_sum "Na2 Fe2 O5 Np1"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_gr... |
ChangeAtomAction | b2859be6-0cde-4879-993b-d9dc427bdb8d | mp-1218036 | Change the atom at index 6 into Tm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... | data_image0
_chemical_formula_structural Ta6TmTaVC4S8
_chemical_formula_sum "Ta7 Tm1 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_spa... |
ChangeAtomAction | 842f4c4c-b58d-411a-af3b-3342c1d03ebc | mp-686085 | Change the atom at index 7 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc13Cu13O33
_chemical_formula_sum "Sc13 Cu13 O33"
_cell_length_a 5.96404422
_cell_length_b 5.96404422
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 87.86782069
_cell_angle_gamma 33.365060500000006
_space... | data_image0
_chemical_formula_structural Sc7EsSc5Cu13O33
_chemical_formula_sum "Sc12 Es1 Cu13 O33"
_cell_length_a 5.96404422
_cell_length_b 5.96404422
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 87.86782069
_cell_angle_gamma 33.365060500000006... |
ChangeAtomAction | ce616d8a-42c4-450a-9047-6cc2066ae29c | mp-14734 | 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 Cs4C4O4F12
_chemical_formula_sum "Cs4 C4 O4 F12"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 9.42489971
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4C4O4F7TiF4
_chemical_formula_sum "Cs4 C4 O4 F11 Ti1"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 9.42489971
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 4529576a-b88c-474b-997f-8b9434c2b136 | mp-755663 | Change the atom at index 10 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O2LrO11
_chemical_formula_sum "Ta4 Pb4 O13 Lr1"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_nam... |
ChangeAtomAction | a9c6d04c-ef03-45b3-a130-3653c4daf9c3 | mp-21683 | Change the atom at index 27 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... | data_image0
_chemical_formula_structural In2Ni21P4SnP
_chemical_formula_sum "In2 Ni21 P5 Sn1"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
... |
ChangeAtomAction | e825e071-77a8-453c-acd1-5c576c3e51ad | mp-1196179 | Change the atom at index 36 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 Tm16Cr8S12CeS19
_chemical_formula_sum "Tm16 Cr8 S31 Ce1"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 118d5ec7-1e22-44a4-ac7a-dd889f6fdc8e | mp-1221008 | Change the atom at index 1 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... | data_image0
_chemical_formula_structural NdPoNd7Ni24Sn49
_chemical_formula_sum "Nd8 Po1 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_sp... |
ChangeAtomAction | ee953119-ae44-45b8-8cb0-bed849ac7ac5 | mp-1182799 | Change the atom at index 18 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Si4H8O16
_chemical_formula_sum "Ca4 Si4 H8 O16"
_cell_length_a 11.8266484
_cell_length_b 9.86852666
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_cell_angle_gamma 88.41209242000001
... | data_image0
_chemical_formula_structural Ca4Si4H8O2KrO13
_chemical_formula_sum "Ca4 Si4 H8 O15 Kr1"
_cell_length_a 11.8266484
_cell_length_b 9.86852666
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_cell_angle_gamma 88.41209242... |
ChangeAtomAction | 7c741124-d575-46f3-b760-6e818189463f | mp-1027815 | Change the atom at index 2 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMgMoMg12Co
_chemical_formula_sum "K1 Mg13 Mo1 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_al... |
ChangeAtomAction | 5efbdbc8-5d27-4774-8ad6-00e63e9dea8a | mp-8762 | Change the atom at index 8 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8NiS7O4
_chemical_formula_sum "Er8 Ni1 S7 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 3e7c12a3-8d8c-4b60-87dd-0dcd38aaefda | mp-1188640 | Change the atom at index 4 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr4KrZr5Sn6As2
_chemical_formula_sum "Zr9 Kr1 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_nam... |
ChangeAtomAction | bbc0f5d4-4611-4307-9839-fd09b7564aa7 | mp-887412 | Change the atom at index 60 into Fm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... | data_image0
_chemical_formula_structural Li12Mn2V6P12O28FmO19
_chemical_formula_sum "Li12 Mn2 V6 P12 O47 Fm1"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.640118... |
ChangeAtomAction | 713c598e-6a13-4829-8a0b-2041a5530a2f | mp-1199467 | Change the atom at index 35 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Lu20Ge15Pt
_chemical_formula_sum "Lu20 Ge15 Pt1"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | 1141e259-a499-4ef2-a9cb-44f87b7cfc5d | mp-973966 | Change the atom at index 12 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiInI4O12
_chemical_formula_sum "Li1 In1 I4 O12"
_cell_length_a 4.978049
_cell_length_b 6.59234209
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.19318945
_cell_angle_gamma 89.32749808
_space_grou... | data_image0
_chemical_formula_structural LiInI4O6AtO5
_chemical_formula_sum "Li1 In1 I4 O11 At1"
_cell_length_a 4.978049
_cell_length_b 6.59234209
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.19318945
_cell_angle_gamma 89.32749808
_spa... |
ChangeAtomAction | 1457ba14-8238-4850-ad7d-c741d3d62a30 | mp-1032871 | Change the atom at index 12 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 HfMg6AlO4ReO3
_chemical_formula_sum "Hf1 Mg6 Al1 O7 Re1"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 14869ed0-7285-4a79-8cec-b743a53e4d67 | mp-2215839 | 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 Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural Sr2MgZrCrO5Mn
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O5 Mn1"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133... |
ChangeAtomAction | 2ac185a0-0dfa-489a-8ba4-845c2b5aa8eb | mp-763659 | Change the atom at index 12 into Db in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2Fe2O5DbO2
_chemical_formula_sum "Li3 V2 Fe2 O7 Db1"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.5174351599999... |
ChangeAtomAction | 41cb369a-2936-47f5-9010-e2746fddc1fb | mp-1227077 | Change the atom at index 17 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd43Pd8
_chemical_formula_sum "Cd43 Pd8"
_cell_length_a 10.05017333
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_gamma 90.10168413000... | data_image0
_chemical_formula_structural Cd17ZrCd25Pd8
_chemical_formula_sum "Cd42 Zr1 Pd8"
_cell_length_a 10.05017333
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_gamma 90.1... |
ChangeAtomAction | 1527eb79-abdc-4744-98ca-bd16994c606b | mp-1229311 | Change the atom at index 3 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag5Sb23Pb12S48
_chemical_formula_sum "Ag5 Sb23 Pb12 S48"
_cell_length_a 8.695419
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236377
_cell_angle_gamma 90.18961982
_space_... | data_image0
_chemical_formula_structural Ag3PoAgSb23Pb12S48
_chemical_formula_sum "Ag4 Po1 Sb23 Pb12 S48"
_cell_length_a 8.695419
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236377
_cell_angle_gamma 90.18961982
... |
ChangeAtomAction | 1712a2d0-aa82-4478-a6df-e1f02979bd4d | mp-1173734 | Change the atom at index 14 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03905514... | data_image0
_chemical_formula_structural NaCa3Fe4Si6FrSiO24
_chemical_formula_sum "Na1 Ca3 Fe4 Si7 Fr1 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.... |
ChangeAtomAction | b71c60f9-7364-421e-8229-4b8bc6ef0ac5 | mp-1182238 | Change the atom at index 23 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba8O15Cl
_chemical_formula_sum "Ba8 O15 Cl1"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
ChangeAtomAction | f850bd71-52cf-4556-afea-5db1f66f9240 | mp-15539 | Change the atom at index 49 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Mn8Be12Si12O48
_chemical_formula_sum "Ca4 Mn8 Be12 Si12 O48"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 16.38163346
_cell_angle_alpha 60.03639652
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ca4Mn8Be12Si12O13FrO34
_chemical_formula_sum "Ca4 Mn8 Be12 Si12 O47 Fr1"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 16.38163346
_cell_angle_alpha 60.03639652
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
ChangeAtomAction | 4d9c24a0-9ef7-46ea-b28a-fe256fb1368b | mp-5996 | Change the atom at index 32 into Ca 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 Na8Ti8Si8O8CaO27
_chemical_formula_sum "Na8 Ti8 Si8 O35 Ca1"
_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 | cda49664-4933-4e4e-b408-f037897da1b7 | mp-510 | Change the atom at index 8 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta8LiTa7O32
_chemical_formula_sum "Ta15 Li1 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_spac... |
ChangeAtomAction | 19ddd536-4c59-4b76-8cec-2d87d1757e7d | mp-1200475 | Change the atom at index 3 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural U2BSiB14O34
_chemical_formula_sum "U2 B15 Si1 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_spa... |
ChangeAtomAction | a9b9d62b-f80a-4a34-9587-eac0af2e9c45 | mp-1103787 | Change the atom at index 4 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si7Ni4Au2
_chemical_formula_sum "Si7 Ni4 Au2"
_cell_length_a 6.65277734
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 32.802062200... | data_image0
_chemical_formula_structural Si4MnSi2Ni4Au2
_chemical_formula_sum "Si6 Mn1 Ni4 Au2"
_cell_length_a 6.65277734
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 32.... |
ChangeAtomAction | 3cdecea3-72c1-40f9-9ca0-c3caf52cd869 | mp-1110608 | Change the atom at index 1 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2InAgF6
_chemical_formula_sum "Rb2 In1 Ag1 F6"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural RbYbInAgF6
_chemical_formula_sum "Rb1 Yb1 In1 Ag1 F6"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
ChangeAtomAction | 521a008f-c8f0-45c7-b425-23f7abda191b | mp-1026829 | Change the atom at index 4 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg14Cd
_chemical_formula_sum "K1 Mg14 Cd1"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 10.5695114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural KMg3IrMg10Cd
_chemical_formula_sum "K1 Mg13 Ir1 Cd1"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 10.5695114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group_name_H-M_al... |
ChangeAtomAction | 1a97f812-e994-400a-90a3-20181fcef203 | mp-21787 | Change the atom at index 16 into Ge in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural O36Eu16Au8
_chemical_formula_sum "O36 Eu16 Au8"
_cell_length_a 6.18138765
_cell_length_b 11.94098349
_cell_length_c 11.99598676
_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 O16GeO19Eu16Au8
_chemical_formula_sum "O35 Ge1 Eu16 Au8"
_cell_length_a 6.18138765
_cell_length_b 11.94098349
_cell_length_c 11.99598676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 253de223-4f3d-406b-b0df-5c1705333b3a | mp-1233843 | Change the atom at index 10 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... | data_image0
_chemical_formula_structural MgCo6O2FMoF8
_chemical_formula_sum "Mg1 Co6 O2 F9 Mo1"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_s... |
ChangeAtomAction | 933f8e5a-c28c-4952-a613-f2dfd8ea889a | mp-1192109 | Change the atom at index 15 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2H4PdN4O10
_chemical_formula_sum "K2 H4 Pd1 N4 O10"
_cell_length_a 6.96838542
_cell_length_b 7.225418650000001
_cell_length_c 7.49708956
_cell_angle_alpha 116.74948873
_cell_angle_beta 104.81718331
_cell_angle_gamma 97.848627799999... | data_image0
_chemical_formula_structural K2H4PdN4O4HeO5
_chemical_formula_sum "K2 H4 Pd1 N4 O9 He1"
_cell_length_a 6.96838542
_cell_length_b 7.225418650000001
_cell_length_c 7.49708956
_cell_angle_alpha 116.74948873
_cell_angle_beta 104.81718331
_cell_angle_gamma 97.848627... |
ChangeAtomAction | b8b58738-a48c-4c0f-9198-b365e282bda0 | mp-18245 | Change the atom at index 26 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_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 Na4Co4P4O14FlO
_chemical_formula_sum "Na4 Co4 P4 O15 Fl1"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 5a396b8c-9d71-4e5b-bfca-7a04cdae32d9 | mp-1191086 | Change the atom at index 8 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu3ClCu5P7
_chemical_formula_sum "Nd2 Mn3 Cu8 Cl1 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group... |
ChangeAtomAction | 36ee598a-7b08-436e-b1fe-1fed0da3d79d | mp-758497 | Change the atom at index 16 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cu4P4O16
_chemical_formula_sum "Li4 Cu4 P4 O16"
_cell_length_a 5.773734
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78.10091352
_space_group_na... | data_image0
_chemical_formula_structural Li4Cu4P4O4PtO11
_chemical_formula_sum "Li4 Cu4 P4 O15 Pt1"
_cell_length_a 5.773734
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78.10091352
_space_... |
ChangeAtomAction | 9a33a26d-ab0d-415f-9ec2-900f2e4215a6 | mp-1102486 | Change the atom at index 5 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... | data_image0
_chemical_formula_structural Sm2P2ORbO6
_chemical_formula_sum "Sm2 P2 O7 Rb1"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
... |
ChangeAtomAction | aa6ee1fb-ad45-4683-8124-d1b5eb7cac7c | mp-676501 | Change the atom at index 39 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K6Sn4S6Br2O24
_chemical_formula_sum "K6 Sn4 S6 Br2 O24"
_cell_length_a 7.606706
_cell_length_b 10.424619
_cell_length_c 10.46138684
_cell_angle_alpha 60.722412909999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural K6Sn4S6Br2O21AmO2
_chemical_formula_sum "K6 Sn4 S6 Br2 O23 Am1"
_cell_length_a 7.606706
_cell_length_b 10.424619
_cell_length_c 10.46138684
_cell_angle_alpha 60.722412909999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
ChangeAtomAction | ea93b4c4-8879-4b8c-86ed-71549a406a18 | mp-850998 | Change the atom at index 29 into Nh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... | data_image0
_chemical_formula_structural Li4Mn6B6O13NhO4
_chemical_formula_sum "Li4 Mn6 B6 O17 Nh1"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.556853409... |
ChangeAtomAction | d263e6b6-a108-48d3-a782-80661ff20269 | mp-531661 | Change the atom at index 30 into Xe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O8XeO30
_chemical_formula_sum "Nd10 Ti12 O38 Xe1"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
... |
ChangeAtomAction | f723ce5f-a4cb-4509-bab1-4e2cef875877 | mp-777349 | Change the atom at index 9 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn6O3RbO2F6
_chemical_formula_sum "Mn6 O5 Rb1 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_sp... |
ChangeAtomAction | 82f9910f-a200-4e1f-8101-7b3f27f3dea7 | mp-25275 | Change the atom at index 2 into Cf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn2CfMnO8
_chemical_formula_sum "Mn3 Cf1 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group... |
ChangeAtomAction | 5310143d-da25-4f3b-9853-9e4454c5aba7 | mp-38347 | Change the atom at index 7 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Pr16Se24
_chemical_formula_sum "Ca2 Pr16 Se24"
_cell_length_a 9.01322339
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma 90.0395558
_space_g... | data_image0
_chemical_formula_structural Ca2Pr5TiPr10Se24
_chemical_formula_sum "Ca2 Pr15 Ti1 Se24"
_cell_length_a 9.01322339
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma 90.0395558
... |
ChangeAtomAction | 87ddef79-1040-43c9-98ad-b5dd254de58a | mp-1027965 | 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 YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg11NhMg2Ga
_chemical_formula_sum "Y1 Mg13 Nh1 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_nam... |
ChangeAtomAction | dbca51e2-39f0-4c7e-9c8e-1f2b8ac7a89f | mp-1045861 | Change the atom at index 2 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Mn9O13
_chemical_formula_sum "Ca2 Mn9 O13"
_cell_length_a 5.43810899
_cell_length_b 5.43810899
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 33.81424450000001
_space_grou... | data_image0
_chemical_formula_structural Ca2AuMn8O13
_chemical_formula_sum "Ca2 Au1 Mn8 O13"
_cell_length_a 5.43810899
_cell_length_b 5.43810899
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 33.81424450000001
_spac... |
ChangeAtomAction | 7f1ec993-371c-48b4-bb99-a2c7dc2822c7 | mp-1175749 | Change the atom at index 19 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li9Mn2Co5O3HsO12
_chemical_formula_sum "Li9 Mn2 Co5 O15 Hs1"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.... |
ChangeAtomAction | 2fb299cc-9176-417e-9105-8089623c77d9 | mp-1229052 | Change the atom at index 41 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al41McV3
_chemical_formula_sum "Al41 Mc1 V3"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_sp... |
ChangeAtomAction | 1bbcc432-9d14-4e08-a432-b990151db6e5 | mp-1174080 | Change the atom at index 14 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4MnCo3O8
_chemical_formula_sum "Li4 Mn1 Co3 O8"
_cell_length_a 9.86198462
_cell_length_b 9.86198462
_cell_length_c 5.10375864
_cell_angle_alpha 83.85536122000002
_cell_angle_beta 83.85536122000002
_cell_angle_gamma 16.960982359999... | data_image0
_chemical_formula_structural Li4MnCo3O6TaO
_chemical_formula_sum "Li4 Mn1 Co3 O7 Ta1"
_cell_length_a 9.86198462
_cell_length_b 9.86198462
_cell_length_c 5.10375864
_cell_angle_alpha 83.85536122000002
_cell_angle_beta 83.85536122000002
_cell_angle_gamma 16.96098... |
ChangeAtomAction | a4401938-60ee-4dfa-85f5-82f1a0dbbf85 | mp-1030101 | Change the atom at index 8 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43778909
_cell_length_b 3.43778909
_cell_length_c 39.166563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00002099000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3CeSe3
_chemical_formula_sum "Te4 Mo1 W3 Ce1 Se3"
_cell_length_a 3.43778909
_cell_length_b 3.43778909
_cell_length_c 39.166563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00002099000001
_space_group_nam... |
ChangeAtomAction | d41fa3e2-0758-4577-b2df-fe2db7f44b51 | mp-1194859 | Change the atom at index 32 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8O16SbO15
_chemical_formula_sum "Al4 V4 Te8 O31 Sb1"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | 906012cb-af7d-49de-80dc-3039f3339c48 | mp-18561 | Change the atom at index 4 into Sb 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 Ga4SbAsRh10
_chemical_formula_sum "Ga4 Sb1 As1 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_... |
ChangeAtomAction | 04d6943f-5d86-4e24-b649-fb27d45cc364 | mp-1208667 | Change the atom at index 0 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... | data_image0
_chemical_formula_structural GaSrC4O10
_chemical_formula_sum "Ga1 Sr1 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_gr... |
ChangeAtomAction | 51260cd8-3d65-4e17-9233-6bc16138e727 | mp-774827 | Change the atom at index 8 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V2CrTeO12
_chemical_formula_sum "Li4 V2 Cr1 Te1 O12"
_cell_length_a 5.06248
_cell_length_b 5.32188995
_cell_length_c 7.32971655
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_cell_angle_gamma 89.92189222000002
... | data_image0
_chemical_formula_structural Li4V2CrTeLiO11
_chemical_formula_sum "Li5 V2 Cr1 Te1 O11"
_cell_length_a 5.06248
_cell_length_b 5.32188995
_cell_length_c 7.32971655
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_cell_angle_gamma 89.9218922200000... |
ChangeAtomAction | 602bc907-dbc6-4e0a-9675-6c48a806a992 | mp-757418 | Change the atom at index 28 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... | data_image0
_chemical_formula_structural KTi16O11MoO20
_chemical_formula_sum "K1 Ti16 O31 Mo1"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_s... |
ChangeAtomAction | 6dcbb180-6b91-4404-884a-4d9917281125 | mp-1213886 | Change the atom at index 24 into Ar 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 Ce8Tl8F8ArF31
_chemical_formula_sum "Ce8 Tl8 F39 Ar1"
_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_nam... |
ChangeAtomAction | 051914af-6c01-4d40-9423-bab7da30064f | mp-1027998 | Change the atom at index 10 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14ZnCu
_chemical_formula_sum "Mg14 Zn1 Cu1"
_cell_length_a 6.24905681
_cell_length_b 6.24905632
_cell_length_c 9.97630643
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000255999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg10SmMg3ZnCu
_chemical_formula_sum "Mg13 Sm1 Zn1 Cu1"
_cell_length_a 6.24905681
_cell_length_b 6.24905632
_cell_length_c 9.97630643
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000255999998
_space_group_nam... |
ChangeAtomAction | 8ed3ba89-0b4a-4a3d-aca8-1d21a2c2f857 | mp-1209256 | Change the atom at index 5 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2GdTaCu2O8
_chemical_formula_sum "Sr2 Gd1 Ta1 Cu2 O8"
_cell_length_a 3.935051
_cell_length_b 3.935051
_cell_length_c 11.73933
_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 Sr2GdTaCuMoO8
_chemical_formula_sum "Sr2 Gd1 Ta1 Cu1 Mo1 O8"
_cell_length_a 3.935051
_cell_length_b 3.935051
_cell_length_c 11.73933
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | e08a0255-bcc2-41f7-aba2-2f360ef63f65 | mp-1023289 | Change the atom at index 6 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_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 Mg6OsMg5Al2W2
_chemical_formula_sum "Mg11 Os1 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | 7d857212-02c5-4b8a-b674-d9cff7e0b3ce | mp-1029743 | Change the atom at index 24 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 Ba16Ge8NpGe7N32
_chemical_formula_sum "Ba16 Ge15 Np1 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | cb324bad-ef88-4265-a6bc-33d2dfdf2763 | mp-796259 | Change the atom at index 1 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe4O8
_chemical_formula_sum "Fe4 O8"
_cell_length_a 3.036458
_cell_length_b 4.652907
_cell_length_c 9.475864
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural FeNoFe2O8
_chemical_formula_sum "Fe3 No1 O8"
_cell_length_a 3.036458
_cell_length_b 4.652907
_cell_length_c 9.475864
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
ChangeAtomAction | c9b11c10-c0af-4547-b9e3-008369f696f4 | mp-2747986 | Change the atom at index 11 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... | data_image0
_chemical_formula_structural Cs2U4O5MoO6
_chemical_formula_sum "Cs2 U4 O11 Mo1"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_... |
ChangeAtomAction | c26e3cd6-36ec-4347-bed6-5a558a781b88 | mp-779526 | Change the atom at index 26 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe10O14F2PrF3
_chemical_formula_sum "Fe10 O14 F5 Pr1"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331... |
ChangeAtomAction | 05abdc66-8b7e-4e14-bd80-ce08ce99f570 | mp-35143 | Change the atom at index 7 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S3YbS2
_chemical_formula_sum "Ba2 Nb2 S5 Yb1"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H... |
ChangeAtomAction | 0fcc1dab-75df-4a40-a7c0-9bdd28820b12 | mp-758815 | Change the atom at index 50 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn4P16O22NaO25
_chemical_formula_sum "Li8 Mn4 P16 O47 Na1"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | bea9a8cb-1c82-4c84-9100-5046b5757ca5 | mp-1178619 | Change the atom at index 17 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O7CeO24
_chemical_formula_sum "Zr2 Cl8 O31 Ce1"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_sp... |
ChangeAtomAction | 908614cd-9578-480d-9a47-996d962d3a47 | mp-780315 | Change the atom at index 8 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural Li4Cr2Fe2SiO10
_chemical_formula_sum "Li4 Cr2 Fe2 Si1 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
... |
ChangeAtomAction | f2eaa1db-a7ab-4a06-b46d-0eee9261316b | mp-780431 | Change the atom at index 7 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_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 Li7ClFe8P8H16O40
_chemical_formula_sum "Li7 Cl1 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 6f594cf4-6f7a-4ab4-9b75-b80457ee13e9 | mp-850188 | Change the atom at index 10 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2V2O2F4CeF3
_chemical_formula_sum "Li2 V2 O2 F7 Ce1"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_a... |
ChangeAtomAction | fca91efa-d668-41cf-9163-ef9684fab250 | mp-699403 | Change the atom at index 9 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2La6Ti2Cr6O24
_chemical_formula_sum "Ba2 La6 Ti2 Cr6 O24"
_cell_length_a 11.177216
_cell_length_b 5.600776
_cell_length_c 7.92704114
_cell_angle_alpha 89.40242338000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba2La6TiUCr6O24
_chemical_formula_sum "Ba2 La6 Ti1 U1 Cr6 O24"
_cell_length_a 11.177216
_cell_length_b 5.600776
_cell_length_c 7.92704114
_cell_angle_alpha 89.40242338000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
ChangeAtomAction | d01883d7-1a07-40de-8951-68b25434279a | mp-559738 | Change the atom at index 11 into Bh in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S3BhS4N8Cl40
_chemical_formula_sum "Sb8 S7 Bh1 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.655667220... |
ChangeAtomAction | 6cee9c6e-9a67-432a-b0f7-5e297341be42 | mp-1198626 | 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 K12Co4C24O56
_chemical_formula_sum "K12 Co4 C24 O56"
_cell_length_a 13.20634269
_cell_length_b 13.20634269
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_beta 65.56575789
_cell_angle_gamma 51.40480058000001
_s... | data_image0
_chemical_formula_structural K10VKCo4C24O56
_chemical_formula_sum "K11 V1 Co4 C24 O56"
_cell_length_a 13.20634269
_cell_length_b 13.20634269
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_beta 65.56575789
_cell_angle_gamma 51.4048005800000... |
ChangeAtomAction | 6c547698-d0ea-4e6a-a0d4-adbf77e13363 | mp-1235973 | Change the atom at index 5 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4NpAg3O12
_chemical_formula_sum "Li1 Y4 Np1 Ag3 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name... |
ChangeAtomAction | 399a8ddc-7509-4165-80e5-65ea18a15249 | mp-765943 | Change the atom at index 5 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... | data_image0
_chemical_formula_structural Li5RuLi6V8O16F8
_chemical_formula_sum "Li11 Ru1 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.0297548... |
ChangeAtomAction | 3e4c567b-7bc9-40c2-9b58-4793effffcab | mp-25954 | Change the atom at index 10 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P4AmPO24
_chemical_formula_sum "Co6 P5 Am1 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M... |
ChangeAtomAction | c1c5532b-944d-4bba-9182-3f0533eb27bc | mp-16136 | Change the atom at index 19 into Y 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 Sr3TaGa3Si2O10YO3
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O13 Y1"
_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 | c55414cb-ec5f-4356-a2ae-414843af40a4 | mp-755023 | Change the atom at index 6 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... | data_image0
_chemical_formula_structural Mg2Mn3OHgO6
_chemical_formula_sum "Mg2 Mn3 O7 Hg1"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_grou... |
ChangeAtomAction | 0fbed5a3-7d12-43e1-a576-111e4012f3f5 | mp-1217240 | Change the atom at index 27 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U6P8S32
_chemical_formula_sum "U6 P8 S32"
_cell_length_a 12.18009283
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.02917861
_space_group_name... | data_image0
_chemical_formula_structural U6P8S13AtS18
_chemical_formula_sum "U6 P8 S31 At1"
_cell_length_a 12.18009283
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.02917861
_space_g... |
ChangeAtomAction | 04035faa-3ba6-4389-893a-3a2996724181 | mp-867658 | Change the atom at index 54 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La14Mn13O27ScO14
_chemical_formula_sum "La14 Mn13 O41 Sc1"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 10... |
ChangeAtomAction | 3820fa63-139f-407a-8e43-fba3129c4167 | mp-1076079 | Change the atom at index 18 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr5Ca3MnFe7O24
_chemical_formula_sum "Sr5 Ca3 Mn1 Fe7 O24"
_cell_length_a 7.7761693
_cell_length_b 7.776169299999999
_cell_length_c 7.77140523
_cell_angle_alpha 89.99016139999999
_cell_angle_beta 89.99016139999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr5Ca3MnFe7O2SO21
_chemical_formula_sum "Sr5 Ca3 Mn1 Fe7 O23 S1"
_cell_length_a 7.7761693
_cell_length_b 7.776169299999999
_cell_length_c 7.77140523
_cell_angle_alpha 89.99016139999999
_cell_angle_beta 89.99016139999999
_cell_angle_gam... |
ChangeAtomAction | cb7cc19f-47e5-4ff3-9cfb-2615608c7057 | mp-1176457 | Change the atom at index 0 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural RuMn5O2F10
_chemical_formula_sum "Ru1 Mn5 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_nam... |
ChangeAtomAction | 1d9f7da8-f85d-4c51-8b35-b7d8d0095a7e | mp-733581 | Change the atom at index 23 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_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 Pr8H8Se7CSe8O48
_chemical_formula_sum "Pr8 H8 Se15 C1 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_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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