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{
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{
"id": "mp-1186860",
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"structure_string": "Rb6 Mg2\n1.0\n4.613173 -7.990250 0.000000\n4.613173 7.990250 0.000000\n0.000000 0.000000 7.052788\nRb Mg\n6 2\ndirect\n0.176831 0.353662 0.250000 Rb\n0.176831 0.823169 0.250000 Rb\n0.646338 0.823169 0.250000 Rb\n0.353662 0.176831 0.750000 Rb\n0.823169 0.176831 0.750000 Rb\n0.823169 0.646338 0.750000 Rb\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
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{
"id": "mp-1079184",
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"structure_string": "Mn3 Ge3 Rh3\n1.0\n3.286389 -5.692192 0.000000\n3.286389 5.692192 0.000000\n0.000000 0.000000 3.622502\nMn Ge Rh\n3 3 3\ndirect\n0.408800 0.408800 0.500000 Mn\n0.591200 0.000000 0.500000 Mn\n0.000000 0.591200 0.500000 Mn\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.741729 0.741729 0.000000 Rh\n0.258271 0.000000 0.000000 Rh\n0.000000 0.258271 0.000000 Rh\n",
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{
"id": "mp-505085",
"created_at": "2022-09-04T14:43:16.301824Z",
"structure_string": "Na4 Cu4 F12\n1.0\n5.628708 0.000000 0.000000\n0.000000 5.439406 0.000000\n0.000000 5.369591 7.817733\nNa Cu F\n4 4 12\ndirect\n0.555802 0.269968 0.246087 Na\n0.444198 0.730032 0.753913 Na\n0.055802 0.730032 0.253913 Na\n0.944198 0.269968 0.746087 Na\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.291347 0.647813 0.050706 F\n0.708653 0.352187 0.949294 F\n0.205490 0.262300 0.941897 F\n0.794510 0.737700 0.058103 F\n0.294510 0.262300 0.441897 F\n0.705490 0.737700 0.558103 F\n0.208653 0.647813 0.550706 F\n0.791347 0.352187 0.449294 F\n0.966006 0.146486 0.254107 F\n0.033994 0.853514 0.745893 F\n0.466006 0.853514 0.245893 F\n0.533994 0.146486 0.754107 F\n",
"nsites": 20,
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"elements": [
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"formula_full": "Na4 Cu4 F12",
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"spacegroup": 14
},
{
"id": "mp-1045339",
"created_at": "2022-09-04T14:43:16.303669Z",
"structure_string": "Y2 Mn4 S8\n1.0\n-3.760863 3.844292 5.267028\n3.760863 -3.844292 5.267028\n3.760863 3.844292 -5.267028\nY Mn S\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.379639 0.129639 0.250000 Mn\n0.620361 0.870361 0.750000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.783648 0.757545 0.026103 S\n0.231442 0.757545 0.473897 S\n0.763977 0.765413 0.501435 S\n0.216352 0.242455 0.973897 S\n0.236023 0.737458 0.001435 S\n0.768558 0.242455 0.526103 S\n0.763977 0.262542 0.998565 S\n0.236023 0.234587 0.498565 S\n",
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"elements": [
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"volume": 304.5997198807286,
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"formula_full": "Y2 Mn4 S8",
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"updated_at": "2021-11-28T01:36:02.900000Z",
"spacegroup": 74
},
{
"id": "mp-16475",
"created_at": "2022-09-04T14:43:16.321018Z",
"structure_string": "Sr22 Sb20\n1.0\n-6.283637 6.283637 9.243327\n6.283637 -6.283637 9.243327\n6.283637 6.283637 -9.243327\nSr Sb\n22 20\ndirect\n0.810277 0.060621 0.250344 Sr\n0.810277 0.559933 0.749656 Sr\n0.060621 0.810277 0.250344 Sr\n0.559933 0.810277 0.749656 Sr\n0.189723 0.939379 0.749656 Sr\n0.189723 0.440067 0.250344 Sr\n0.939379 0.189723 0.749656 Sr\n0.440067 0.189723 0.250344 Sr\n0.169106 0.169106 0.338211 Sr\n0.830894 0.830894 0.661789 Sr\n0.169106 0.830894 0.000000 Sr\n0.830894 0.169106 0.000000 Sr\n0.655275 0.655275 0.000000 Sr\n0.344725 0.344725 0.000000 Sr\n0.604870 0.939581 0.334711 Sr\n0.604870 0.270159 0.665289 Sr\n0.939581 0.604870 0.334711 Sr\n0.270159 0.604870 0.665289 Sr\n0.395130 0.060419 0.665289 Sr\n0.395130 0.729841 0.334711 Sr\n0.060419 0.395130 0.665289 Sr\n0.729841 0.395130 0.334711 Sr\n0.353690 0.000000 0.353690 Sb\n0.646310 0.000000 0.646310 Sb\n0.000000 0.646310 0.646310 Sb\n0.000000 0.353690 0.353690 Sb\n0.878099 0.878099 0.000000 Sb\n0.121901 0.121901 0.000000 Sb\n0.378804 0.378804 0.757608 Sb\n0.621196 0.621196 0.242392 Sb\n0.378804 0.621196 0.000000 Sb\n0.621196 0.378804 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.889089 0.889089 0.419472 Sb\n0.469617 0.469617 0.580528 Sb\n0.889089 0.469617 0.000000 Sb\n0.469617 0.889089 0.000000 Sb\n0.110911 0.110911 0.580528 Sb\n0.530383 0.530383 0.419472 Sb\n0.110911 0.530383 0.000000 Sb\n0.530383 0.110911 0.000000 Sb\n",
"nsites": 42,
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"elements": [
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"volume": 1459.8575666317993,
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"formula_full": "Sr22 Sb20",
"formula_reduced": "Sr11Sb10",
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"energy": -164.59697942,
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"updated_at": "2021-11-28T01:36:17.340000Z",
"spacegroup": 139
},
{
"id": "mp-530917",
"created_at": "2022-09-04T14:43:16.324707Z",
"structure_string": "Fe20 Bi10 O48\n1.0\n-6.313072 6.313072 6.195479\n6.313072 -6.313072 6.195479\n6.313072 6.313072 -6.195479\nFe Bi O\n20 10 48\ndirect\n0.762084 0.762084 0.000000 Fe\n0.376532 0.624247 0.748621 Fe\n0.125000 0.747602 0.122602 Fe\n0.874247 0.625626 0.747716 Fe\n0.375753 0.623468 0.251379 Fe\n0.751155 0.875000 0.376155 Fe\n0.625000 0.002398 0.877398 Fe\n0.252398 0.875000 0.877398 Fe\n0.875626 0.627911 0.251379 Fe\n0.487916 0.987916 0.500000 Fe\n0.372089 0.124374 0.748621 Fe\n0.237916 0.237916 0.000000 Fe\n0.873468 0.122089 0.747715 Fe\n0.374374 0.125753 0.252285 Fe\n0.997602 0.375000 0.122602 Fe\n0.125000 0.248845 0.623845 Fe\n0.498845 0.375000 0.623845 Fe\n0.877911 0.126532 0.252285 Fe\n0.625000 0.501155 0.376155 Fe\n0.012084 0.512084 0.500000 Fe\n0.625000 0.755230 0.630230 Bi\n0.501766 0.875000 0.126766 Bi\n0.005230 0.875000 0.630230 Bi\n0.625000 0.251766 0.126766 Bi\n0.125000 0.994770 0.369770 Bi\n0.750000 0.250000 0.500000 Bi\n0.748234 0.375000 0.873234 Bi\n0.500000 0.500000 0.000000 Bi\n0.244770 0.375000 0.369770 Bi\n0.125000 0.498234 0.873234 Bi\n0.549660 0.718296 0.226422 O\n0.553893 0.704695 0.944202 O\n0.778199 0.643648 0.575297 O\n0.789294 0.725475 0.833408 O\n0.279666 0.699582 0.133344 O\n0.300418 0.720334 0.866656 O\n0.484601 0.798657 0.744595 O\n0.765399 0.009994 0.814055 O\n0.797098 0.931649 0.575297 O\n0.683762 0.050418 0.080084 O\n0.975475 0.642067 0.436181 O\n0.195939 0.951343 0.185945 O\n0.460706 0.794114 0.436181 O\n0.396322 0.029666 0.080084 O\n0.048657 0.804061 0.814055 O\n0.892067 0.955886 0.166592 O\n0.259994 0.945939 0.744595 O\n0.054061 0.740006 0.255405 O\n0.566238 0.146322 0.866656 O\n0.758126 0.031704 0.331363 O\n0.357933 0.024525 0.563819 O\n0.696107 0.140309 0.650802 O\n0.274525 0.210706 0.166592 O\n0.893648 0.818351 0.365449 O\n0.853678 0.433762 0.133344 O\n0.489507 0.045305 0.349198 O\n0.044114 0.107933 0.833408 O\n0.390309 0.239507 0.944202 O\n0.990006 0.234601 0.185945 O\n0.181649 0.106352 0.634551 O\n0.676763 0.508126 0.226422 O\n0.491874 0.323237 0.773578 O\n0.859691 0.303893 0.349198 O\n0.700340 0.426763 0.668637 O\n0.356352 0.221801 0.424703 O\n0.295305 0.446107 0.055798 O\n0.573237 0.299660 0.331363 O\n0.760493 0.609691 0.055798 O\n0.068351 0.202902 0.424703 O\n0.949582 0.316238 0.919916 O\n0.968296 0.241874 0.668637 O\n0.281704 0.450340 0.773578 O\n0.452902 0.528199 0.634551 O\n0.471801 0.547098 0.365449 O\n0.954695 0.510493 0.650802 O\n0.970334 0.603678 0.919916 O\n0.205886 0.539294 0.563819 O\n0.201343 0.515399 0.255405 O\n",
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"volume": 987.6802406990153,
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"formula_full": "Fe20 Bi10 O48",
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{
"id": "mp-1077670",
"created_at": "2022-09-04T14:43:16.326155Z",
"structure_string": "Sr6 Ca2 Mn3 Fe5 O24\n1.0\n7.769354 0.000000 0.000000\n0.000000 7.774208 0.000000\n0.000000 0.000947 7.794095\nSr Ca Mn Fe O\n6 2 3 5 24\ndirect\n0.749652 0.749700 0.250995 Sr\n0.749702 0.749698 0.748960 Sr\n0.250338 0.749688 0.748943 Sr\n0.749702 0.250302 0.251040 Sr\n0.749652 0.250300 0.749005 Sr\n0.250338 0.250312 0.251057 Sr\n0.250540 0.749567 0.251490 Ca\n0.250540 0.250433 0.748510 Ca\n0.498738 0.000000 0.500000 Mn\n0.001351 0.500000 0.500000 Mn\n0.499025 0.500000 0.500000 Mn\n0.001441 0.000000 0.000000 Fe\n0.001390 0.000000 0.500000 Fe\n0.498668 0.000000 0.000000 Fe\n0.001280 0.500000 0.000000 Fe\n0.498664 0.500000 0.000000 Fe\n0.002945 0.751064 0.001703 O\n0.003069 0.746504 0.498159 O\n0.497034 0.749747 0.001743 O\n0.496626 0.749515 0.497673 O\n0.002945 0.248936 0.998297 O\n0.003069 0.253496 0.501841 O\n0.497034 0.250253 0.998257 O\n0.496626 0.250485 0.502327 O\n0.751082 0.000000 0.000000 O\n0.746542 0.000000 0.500000 O\n0.248991 0.000000 0.000000 O\n0.253560 0.000000 0.500000 O\n0.749688 0.500000 0.000000 O\n0.749492 0.500000 0.500000 O\n0.250249 0.500000 0.000000 O\n0.250534 0.500000 0.500000 O\n0.003064 0.998182 0.248114 O\n0.003064 0.001818 0.751886 O\n0.496756 0.998085 0.253073 O\n0.496756 0.001915 0.746927 O\n0.003176 0.501935 0.253077 O\n0.003176 0.498065 0.746923 O\n0.496749 0.501961 0.253091 O\n0.496749 0.498039 0.746909 O\n",
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"elements": [
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],
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"volume": 470.76781197913186,
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"formula_full": "Sr6 Ca2 Mn3 Fe5 O24",
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{
"id": "mp-976322",
"created_at": "2022-09-04T14:43:16.330268Z",
"structure_string": "Li3 Pt1\n1.0\n-1.964275 1.964275 3.640298\n1.964275 -1.964275 3.640298\n1.964275 1.964275 -3.640298\nLi Pt\n3 1\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Pt\n",
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"elements": [
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"volume": 56.18255775762055,
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"spacegroup": 139
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{
"id": "mp-1236198",
"created_at": "2022-09-04T14:43:12.756256Z",
"structure_string": "Li1 Sm3 Bi1 Ru4 O14\n1.0\n-5.240551 0.000030 -5.239904\n5.240660 -5.240355 -0.000079\n-5.207337 -5.207032 -0.033183\nLi Sm Bi Ru O\n1 3 1 4 14\ndirect\n0.999941 0.999955 0.000274 Li\n0.250210 0.376271 0.373534 Sm\n0.250223 0.873941 0.373447 Sm\n0.752457 0.376260 0.373528 Sm\n0.751104 0.375465 0.873373 Bi\n0.738624 0.869338 0.392057 Ru\n0.260770 0.869973 0.869235 Ru\n0.260721 0.390732 0.869316 Ru\n0.739982 0.869970 0.869275 Ru\n0.495478 0.247743 0.256682 O\n0.003775 0.501895 0.494263 O\n0.909982 0.955032 0.544705 O\n0.500241 0.545325 0.544719 O\n0.500328 0.955036 0.544606 O\n0.095425 0.547713 0.952686 O\n0.499607 0.951921 0.952792 O\n0.499617 0.547780 0.952687 O\n0.582468 0.791176 0.208988 O\n0.999780 0.208558 0.209013 O\n0.999724 0.791145 0.209029 O\n0.412139 0.206045 0.795255 O\n0.998725 0.792699 0.795267 O\n0.998678 0.206028 0.795268 O\n",
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