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{
"id": "mp-1191264",
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"structure_string": "Sr4 Fe2 Cu2 Pb4 O12\n1.0\n5.556990 0.000000 0.000000\n0.000000 5.635008 0.000000\n0.000000 0.000000 12.335648\nSr Fe Cu Pb O\n4 2 2 4 12\ndirect\n0.505767 0.501834 0.641859 Sr\n0.505767 0.498166 0.358141 Sr\n0.005767 0.001834 0.358141 Sr\n0.005767 0.998166 0.641859 Sr\n0.003197 0.500000 0.500000 Fe\n0.503197 0.000000 0.500000 Fe\n0.549259 0.500000 0.000000 Cu\n0.049259 0.000000 0.000000 Cu\n0.501589 0.989338 0.853909 Pb\n0.501589 0.010662 0.146091 Pb\n0.001589 0.489338 0.146091 Pb\n0.001589 0.510662 0.853909 Pb\n0.567621 0.582833 0.854350 O\n0.567621 0.417167 0.145650 O\n0.067621 0.082833 0.145650 O\n0.067621 0.917167 0.854350 O\n0.504852 0.005478 0.675988 O\n0.504852 0.994522 0.324012 O\n0.004852 0.505478 0.324012 O\n0.004852 0.494522 0.675988 O\n0.751943 0.250850 0.498929 O\n0.751943 0.749150 0.501071 O\n0.251943 0.750850 0.501071 O\n0.251943 0.249150 0.498929 O\n",
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"formula_full": "Sr4 Fe2 Cu2 Pb4 O12",
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{
"id": "mp-505312",
"created_at": "2022-09-04T14:43:50.619933Z",
"structure_string": "Sr4 Fe2 Cu2 S2 O6\n1.0\n3.951930 0.000000 0.000000\n0.000000 3.951930 0.000000\n0.000000 0.000000 15.750364\nSr Fe Cu S O\n4 2 2 2 6\ndirect\n0.000000 0.500000 0.184161 Sr\n0.500000 0.000000 0.815839 Sr\n0.000000 0.500000 0.412330 Sr\n0.500000 0.000000 0.587670 Sr\n0.500000 0.000000 0.309584 Fe\n0.000000 0.500000 0.690416 Fe\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.089655 S\n0.000000 0.500000 0.910345 S\n0.000000 0.000000 0.288332 O\n0.500000 0.500000 0.288332 O\n0.500000 0.500000 0.711668 O\n0.000000 0.000000 0.711668 O\n0.500000 0.000000 0.432144 O\n0.000000 0.500000 0.567856 O\n",
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],
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"density": 5.058793849828618,
"density_atomic": 0.06504454811420772,
"volume": 245.98525877843883,
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"formula_full": "Sr4 Fe2 Cu2 S2 O6",
"formula_reduced": "Sr2FeCuSO3",
"formula_anonymous": "ABCD2E3",
"energy": -103.75078941,
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"updated_at": "2021-11-28T01:36:18.418000Z",
"spacegroup": 129
},
{
"id": "mp-1043304",
"created_at": "2022-09-04T14:47:42.985744Z",
"structure_string": "Sr4 Fe2 Cu4 O14\n1.0\n-2.565478 2.585794 12.670969\n2.565478 -2.585794 12.670969\n2.565478 2.585794 -12.670969\nSr Fe Cu O\n4 2 4 14\ndirect\n0.645604 0.626476 0.974408 Sr\n0.354396 0.328804 0.980872 Sr\n0.152069 0.126476 0.980872 Sr\n0.847931 0.828804 0.974408 Sr\n0.184397 0.777466 0.461863 Fe\n0.815603 0.277466 0.593068 Fe\n0.560969 0.037897 0.479488 Cu\n0.439031 0.918520 0.476928 Cu\n0.058409 0.537897 0.476928 Cu\n0.941591 0.418520 0.479488 Cu\n0.835934 0.653971 0.989905 O\n0.164066 0.153971 0.818037 O\n0.326484 0.304458 0.479924 O\n0.673516 0.153441 0.977974 O\n0.324534 0.804458 0.977974 O\n0.675466 0.653441 0.479924 O\n0.826180 0.804213 0.477726 O\n0.173820 0.651546 0.978033 O\n0.826486 0.304213 0.978033 O\n0.173514 0.151546 0.477726 O\n0.195737 0.651404 0.485880 O\n0.804263 0.290143 0.455668 O\n0.665524 0.151404 0.455668 O\n0.334476 0.790143 0.485880 O\n",
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"elements": [
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],
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"density": 4.644132012643169,
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"volume": 336.22657595745505,
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"formula_full": "Sr4 Fe2 Cu4 O14",
"formula_reduced": "Sr2FeCu2O7",
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"energy": -150.13131454999998,
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},
{
"id": "mp-1218626",
"created_at": "2022-09-04T14:45:36.715657Z",
"structure_string": "Sr4 Fe2 Mo1 W1 O12\n1.0\n5.636227 0.000000 0.000000\n-2.799362 -4.945383 0.000000\n-2.806600 1.434039 -9.315959\nSr Fe Mo W O\n4 2 1 1 12\ndirect\n0.754460 0.626491 0.385081 Sr\n0.745833 0.125197 0.862458 Sr\n0.254167 0.874803 0.137542 Sr\n0.245540 0.373509 0.614919 Sr\n0.000610 0.251740 0.253558 Fe\n0.999390 0.748260 0.746442 Fe\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500000 0.000000 W\n0.741149 0.859407 0.119251 O\n0.757614 0.385553 0.633261 O\n0.242386 0.614447 0.366739 O\n0.258851 0.140593 0.880749 O\n0.205174 0.096807 0.386159 O\n0.228052 0.612110 0.900146 O\n0.794826 0.903193 0.613841 O\n0.771948 0.387890 0.099854 O\n0.712055 0.642077 0.863949 O\n0.712294 0.139972 0.353484 O\n0.287706 0.860028 0.646516 O\n0.287945 0.357923 0.136051 O\n",
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"elements": [
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"chemical_system": "Fe-Mo-O-Sr-W",
"density": 5.972462060931326,
"density_atomic": 0.07702186306724046,
"volume": 259.6665310801415,
"volume_molar": 7.818742004127634,
"formula_full": "Sr4 Fe2 Mo1 W1 O12",
"formula_reduced": "Sr4Fe2MoWO12",
"formula_anonymous": "ABC2D4E12",
"energy": -158.46094258,
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"updated_at": "2021-11-28T01:37:04.686000Z",
"spacegroup": 2
},
{
"id": "mp-19127",
"created_at": "2022-09-04T14:45:16.746298Z",
"structure_string": "Sr4 Fe2 Mo2 O12\n1.0\n2.852826 2.852662 -3.947665\n-0.000008 -5.706301 -7.896042\n-2.852834 2.852663 -3.947671\nSr Fe Mo O\n4 2 2 12\ndirect\n0.624997 0.124991 0.624996 Sr\n0.125001 0.624972 0.125001 Sr\n0.375016 0.875004 0.375016 Sr\n0.875020 0.374988 0.875021 Sr\n0.499302 0.500626 0.499302 Fe\n0.999313 0.000653 0.999314 Fe\n0.250324 0.249670 0.250324 Mo\n0.750321 0.749673 0.750321 Mo\n0.127969 0.127921 0.127966 O\n0.627965 0.627910 0.627966 O\n0.872075 0.872083 0.872074 O\n0.372071 0.372068 0.372073 O\n0.374101 0.875307 0.875291 O\n0.874113 0.375299 0.375286 O\n0.126104 0.624556 0.624814 O\n0.626100 0.124558 0.124817 O\n0.875292 0.875307 0.374101 O\n0.375286 0.375299 0.874112 O\n0.624814 0.624556 0.126104 O\n0.124817 0.124559 0.626101 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "Sr4 Fe2 Mo2 O12",
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"updated_at": "2021-11-28T01:36:54.695000Z",
"spacegroup": 225
},
{
"id": "mp-1095170",
"created_at": "2022-09-04T14:46:15.947820Z",
"structure_string": "Sr4 Fe2 Os2 O12\n1.0\n-3.969533 -3.969533 0.000000\n0.000000 0.000000 -8.006385\n3.969531 -3.969532 0.000000\nSr Fe Os O\n4 2 2 12\ndirect\n0.500015 0.250002 0.000013 Sr\n0.000014 0.750003 0.500012 Sr\n0.500015 0.750003 0.000013 Sr\n0.000014 0.250002 0.500012 Sr\n0.499842 0.500007 0.499986 Fe\n0.999914 0.999951 0.999803 Fe\n0.500010 0.000002 0.500006 Os\n0.000005 0.500000 0.000010 Os\n0.000015 0.253622 0.000011 O\n0.500013 0.753621 0.500013 O\n0.247522 0.500003 0.247520 O\n0.747524 0.000002 0.747522 O\n0.247523 0.500003 0.752504 O\n0.747525 0.000002 0.252502 O\n0.000015 0.746383 0.000011 O\n0.500013 0.246383 0.500013 O\n0.752507 0.500003 0.752505 O\n0.252505 0.000002 0.252503 O\n0.752506 0.500003 0.247520 O\n0.252503 0.000002 0.747523 O\n",
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"updated_at": "2021-11-28T01:37:29.258000Z",
"spacegroup": 225
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{
"id": "mp-1276755",
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"structure_string": "Sr4 Fe2 Os2 O12\n1.0\n-3.983131 -3.983142 0.000001\n0.000046 3.983097 -3.983121\n3.980865 -3.980873 -7.964066\nSr Fe Os O\n4 2 2 12\ndirect\n0.623804 0.247610 0.128535 Sr\n0.126316 0.252631 0.621021 Sr\n0.876196 0.752391 0.371464 Sr\n0.373684 0.747368 0.878978 Sr\n0.001292 0.002585 0.996112 Fe\n0.498705 0.997409 0.503899 Fe\n0.750000 0.499999 0.750002 Os\n0.250000 0.500001 0.249999 Os\n0.126856 0.253711 0.124679 O\n0.626909 0.253817 0.626660 O\n0.373144 0.251492 0.375293 O\n0.873099 0.253532 0.873306 O\n0.621647 0.748505 0.124705 O\n0.119563 0.746467 0.626691 O\n0.373148 0.746296 0.375321 O\n0.873095 0.746191 0.873338 O\n0.126859 0.748505 0.124706 O\n0.626904 0.746467 0.626692 O\n0.878348 0.251492 0.375293 O\n0.380431 0.253532 0.873306 O\n",
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{
"id": "mp-1203060",
"created_at": "2022-09-04T14:40:24.322815Z",
"structure_string": "Sr4 Fe2 P6 O24\n1.0\n-4.574659 -5.902538 3.278933\n-4.574659 5.902538 3.278933\n0.044804 0.000000 -9.079654\nSr Fe P O\n4 2 6 24\ndirect\n0.664600 0.745770 0.300807 Sr\n0.254230 0.335400 0.199193 Sr\n0.335400 0.254230 0.699193 Sr\n0.745770 0.664600 0.800807 Sr\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.969128 0.030872 0.250000 P\n0.030872 0.969128 0.750000 P\n0.632534 0.249024 0.450763 P\n0.750976 0.367466 0.049237 P\n0.367466 0.750976 0.549237 P\n0.249024 0.632534 0.950763 P\n0.029467 0.234653 0.400133 O\n0.765347 0.970533 0.099867 O\n0.970533 0.765347 0.599867 O\n0.234653 0.029467 0.900133 O\n0.801046 0.420115 0.550511 O\n0.579885 0.198954 0.949489 O\n0.198954 0.579885 0.449489 O\n0.420115 0.801046 0.050511 O\n0.805741 0.466725 0.256173 O\n0.533275 0.194259 0.243827 O\n0.194259 0.533275 0.743827 O\n0.466725 0.805741 0.756173 O\n0.971617 0.887434 0.320287 O\n0.112566 0.028383 0.179713 O\n0.028383 0.112566 0.679713 O\n0.887434 0.971617 0.820287 O\n0.499406 0.319237 0.530202 O\n0.680763 0.500594 0.969798 O\n0.500594 0.680763 0.469798 O\n0.319237 0.499406 0.030202 O\n0.695648 0.083294 0.476025 O\n0.916706 0.304352 0.023974 O\n0.304352 0.916706 0.523975 O\n0.083294 0.695648 0.976025 O\n",
"nsites": 36,
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"elements": [
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"volume": 488.605149224626,
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"formula_full": "Sr4 Fe2 P6 O24",
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"energy": -270.94963181,
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},
{
"id": "mp-1046652",
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"structure_string": "Sr4 Fe2 S2 O6\n1.0\n4.004808 -0.000102 -0.000002\n-0.000102 4.005120 0.000006\n-0.000006 0.000023 14.500751\nSr Fe S O\n4 2 2 6\ndirect\n0.750000 0.750001 0.161690 Sr\n0.250001 0.249999 0.838323 Sr\n0.750002 0.750001 0.407263 Sr\n0.250000 0.250000 0.592725 Sr\n0.249997 0.250006 0.291976 Fe\n0.750002 0.749997 0.707996 Fe\n0.250001 0.250000 0.110540 S\n0.750000 0.750000 0.889491 S\n0.750001 0.250003 0.284081 O\n0.250000 0.750002 0.284088 O\n0.249999 0.749996 0.715920 O\n0.749998 0.249999 0.715913 O\n0.250000 0.250001 0.424557 O\n0.750000 0.749999 0.575438 O\n",
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"spacegroup": 129
},
{
"id": "mp-1218824",
"created_at": "2022-09-04T14:48:27.773865Z",
"structure_string": "Sr4 Fe2 Sb2 O12\n1.0\n0.000049 5.667849 -0.000039\n-5.700760 -0.000049 -0.000366\n0.001911 -0.000055 7.987565\nSr Fe Sb O\n4 2 2 12\ndirect\n0.499988 0.503307 0.250164 Sr\n0.000043 0.003238 0.750167 Sr\n0.000044 0.996767 0.249846 Sr\n0.499988 0.496838 0.749848 Sr\n0.999712 0.499715 0.499917 Fe\n0.499978 0.999772 0.999985 Fe\n0.000052 0.499999 0.999926 Sb\n0.499904 0.999919 0.500027 Sb\n0.500057 0.946581 0.748283 O\n0.000004 0.446547 0.248241 O\n0.000003 0.553534 0.751737 O\n0.500054 0.053552 0.251771 O\n0.748449 0.752395 0.471582 O\n0.248448 0.252370 0.971622 O\n0.751596 0.252388 0.971626 O\n0.251595 0.752349 0.471572 O\n0.751626 0.747677 0.028436 O\n0.251626 0.247702 0.528408 O\n0.748413 0.247653 0.528401 O\n0.248419 0.747698 0.028439 O\n",
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],
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"formula_full": "Sr4 Fe2 Sb2 O12",
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"updated_at": "2021-11-28T01:39:42.636000Z",
"spacegroup": 12
},
{
"id": "mp-1295905",
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"structure_string": "Sr4 Fe2 Sn2 O12\n1.0\n4.027534 0.000011 0.000108\n0.000023 8.101119 0.000166\n0.000215 0.000164 8.011134\nSr Fe Sn O\n4 2 2 12\ndirect\n0.000008 0.999454 0.984274 Sr\n0.999999 0.500549 0.984279 Sr\n0.000000 0.999451 0.515718 Sr\n0.999991 0.500546 0.515722 Sr\n0.500000 0.750000 0.749998 Fe\n0.500000 0.250000 0.749998 Fe\n0.500002 0.249999 0.250008 Sn\n0.500001 0.750001 0.250024 Sn\n0.499998 0.250007 0.990863 O\n0.499991 0.749996 0.990621 O\n0.500000 0.249993 0.509133 O\n0.500010 0.750004 0.509375 O\n0.499996 0.999800 0.249997 O\n0.500003 0.500199 0.250000 O\n0.999999 0.250000 0.249999 O\n0.000001 0.750000 0.249998 O\n0.499989 0.993394 0.749992 O\n0.500011 0.506606 0.750005 O\n0.000000 0.250000 0.749998 O\n0.000000 0.750000 0.749998 O\n",
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"formula_full": "Sr4 Fe2 Sn2 O12",
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"updated_at": "2021-11-28T01:35:47.184000Z",
"spacegroup": 47
},
{
"id": "mp-1274243",
"created_at": "2022-09-04T14:41:48.114876Z",
"structure_string": "Sr4 Fe2 Sn2 O12\n1.0\n4.029894 0.000017 -0.000026\n-0.000070 -4.058308 8.007977\n-0.000035 -8.112720 0.001967\nSr Fe Sn O\n4 2 2 12\ndirect\n0.000016 0.984219 0.006948 Sr\n0.000035 0.984227 0.508892 Sr\n0.000016 0.515777 0.241161 Sr\n0.000035 0.515801 0.743041 Sr\n0.500017 0.750115 0.874917 Fe\n0.499594 0.749834 0.374879 Fe\n0.500023 0.249646 0.125188 Sn\n0.500029 0.250343 0.624840 Sn\n0.500023 0.990832 0.754680 O\n0.500026 0.990819 0.254540 O\n0.500014 0.509112 0.995372 O\n0.500003 0.509215 0.495459 O\n0.500017 0.250009 0.374996 O\n0.500019 0.250011 0.875010 O\n0.000015 0.250640 0.124699 O\n0.000017 0.249382 0.625311 O\n0.500045 0.749871 0.118732 O\n0.499997 0.750142 0.631310 O\n0.000027 0.749998 0.875016 O\n0.000031 0.750010 0.375008 O\n",
"nsites": 20,
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"elements": [
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"volume": 261.7758390606472,
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"formula_full": "Sr4 Fe2 Sn2 O12",
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"updated_at": "2021-11-28T01:35:28.618000Z",
"spacegroup": 65
}
]
}