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{
"id": "mp-1212962",
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"structure_string": "Er4 Fe34 C6\n1.0\n0.000000 0.000000 -8.354005\n-4.301690 -7.450746 0.000000\n-4.301690 7.450746 0.000000\nEr Fe C\n4 34 6\ndirect\n0.750000 0.666667 0.333333 Er\n0.250000 0.333333 0.666667 Er\n0.750000 0.000000 0.000000 Er\n0.250000 0.000000 0.000000 Er\n0.750000 0.621431 0.673822 Fe\n0.250000 0.378569 0.326178 Fe\n0.750000 0.052391 0.378569 Fe\n0.250000 0.947609 0.326178 Fe\n0.250000 0.947609 0.621431 Fe\n0.750000 0.052391 0.673822 Fe\n0.750000 0.326178 0.947609 Fe\n0.250000 0.673822 0.621431 Fe\n0.250000 0.673822 0.052391 Fe\n0.750000 0.326178 0.378569 Fe\n0.250000 0.378569 0.052391 Fe\n0.750000 0.621431 0.947609 Fe\n0.393014 0.666667 0.333333 Fe\n0.606986 0.333333 0.666667 Fe\n0.893014 0.333333 0.666667 Fe\n0.106986 0.666667 0.333333 Fe\n0.979861 0.831837 0.168163 Fe\n0.020139 0.168163 0.831837 Fe\n0.979861 0.336326 0.168163 Fe\n0.479861 0.168163 0.831837 Fe\n0.020139 0.663674 0.831837 Fe\n0.520139 0.831837 0.168163 Fe\n0.979861 0.831837 0.663674 Fe\n0.479861 0.663674 0.831837 Fe\n0.020139 0.168163 0.336326 Fe\n0.520139 0.336326 0.168163 Fe\n0.479861 0.168163 0.336326 Fe\n0.520139 0.831837 0.663674 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.750000 0.834542 0.165458 C\n0.250000 0.165458 0.834542 C\n0.750000 0.330917 0.165458 C\n0.250000 0.669083 0.834542 C\n0.750000 0.834542 0.669083 C\n0.250000 0.165458 0.330917 C\n",
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{
"id": "mp-1209641",
"created_at": "2022-09-04T14:45:03.234828Z",
"structure_string": "Sb8 Te12 Se12 F48\n1.0\n8.940980 0.000000 0.000000\n0.000000 12.631672 0.000000\n0.000000 0.000000 16.215297\nSb Te Se F\n8 12 12 48\ndirect\n0.019561 0.047434 0.054671 Sb\n0.480439 0.952566 0.554671 Sb\n0.980439 0.547434 0.445329 Sb\n0.519561 0.452566 0.945329 Sb\n0.542595 0.216684 0.232046 Sb\n0.957405 0.783316 0.732046 Sb\n0.457405 0.716684 0.267954 Sb\n0.042595 0.283316 0.767954 Sb\n0.147108 0.665104 0.054112 Te\n0.352892 0.334896 0.554112 Te\n0.852892 0.165104 0.445888 Te\n0.647108 0.834896 0.945888 Te\n0.536650 0.611536 0.545937 Te\n0.963350 0.388464 0.045937 Te\n0.463350 0.111536 0.954063 Te\n0.036650 0.888464 0.454063 Te\n0.133995 0.005683 0.312508 Te\n0.366005 0.994317 0.812508 Te\n0.866005 0.505683 0.187492 Te\n0.633995 0.494317 0.687492 Te\n0.094593 0.196968 0.369192 Se\n0.405407 0.803032 0.869192 Se\n0.905407 0.696968 0.130808 Se\n0.594593 0.303032 0.630808 Se\n0.131018 0.434656 0.167465 Se\n0.368982 0.565344 0.667465 Se\n0.868982 0.934656 0.332535 Se\n0.631018 0.065344 0.832535 Se\n0.484797 0.447032 0.450651 Se\n0.015203 0.552968 0.950651 Se\n0.515203 0.947032 0.049349 Se\n0.984797 0.052968 0.549349 Se\n0.492574 0.187396 0.118582 F\n0.007426 0.812604 0.618582 F\n0.507426 0.687396 0.381418 F\n0.992574 0.312604 0.881418 F\n0.651887 0.087373 0.237514 F\n0.848113 0.912627 0.737514 F\n0.348113 0.587373 0.262486 F\n0.151887 0.412627 0.762486 F\n0.324507 0.026361 0.613491 F\n0.175493 0.973639 0.113491 F\n0.675493 0.526361 0.886509 F\n0.824507 0.473639 0.386509 F\n0.971630 0.116140 0.157058 F\n0.528370 0.883860 0.657058 F\n0.028370 0.616140 0.342942 F\n0.471630 0.383860 0.842942 F\n0.114519 0.431346 0.422266 F\n0.385481 0.568654 0.922266 F\n0.885481 0.931346 0.077734 F\n0.614519 0.068654 0.577734 F\n0.427593 0.344152 0.227461 F\n0.072407 0.655848 0.727461 F\n0.572407 0.844152 0.272539 F\n0.927593 0.155848 0.772539 F\n0.590956 0.244909 0.345841 F\n0.909044 0.755091 0.845841 F\n0.409044 0.744909 0.154159 F\n0.090956 0.255091 0.654159 F\n0.579450 0.519130 0.046521 F\n0.920550 0.480870 0.546521 F\n0.420550 0.019130 0.453479 F\n0.079450 0.980870 0.953479 F\n0.719066 0.293508 0.197896 F\n0.780934 0.706492 0.697896 F\n0.280934 0.793508 0.302104 F\n0.219066 0.206492 0.802104 F\n0.362429 0.141597 0.266272 F\n0.137571 0.858403 0.766272 F\n0.637571 0.641597 0.233728 F\n0.862429 0.358403 0.733728 F\n0.360909 0.377616 0.999677 F\n0.139091 0.622384 0.499677 F\n0.639091 0.877616 0.500323 F\n0.860909 0.122384 0.000323 F\n0.156563 0.162361 0.030878 F\n0.343437 0.837639 0.530878 F\n0.843437 0.662361 0.469122 F\n0.656563 0.337639 0.969122 F\n",
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"elements": [
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],
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"volume": 1831.3479687808858,
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"formula_full": "Sb8 Te12 Se12 F48",
"formula_reduced": "Sb2Te3(SeF4)3",
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"energy": -365.4517449700001,
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"updated_at": "2021-11-28T01:36:51.482000Z",
"spacegroup": 19
},
{
"id": "mp-627398",
"created_at": "2022-09-04T14:47:21.220635Z",
"structure_string": "Be6 Fe8 Si6 S2 O24\n1.0\n5.895891 -5.850736 0.000000\n5.895891 5.850736 0.000000\n0.089965 0.000000 8.305693\nBe Fe Si S O\n6 8 6 2 24\ndirect\n0.751323 0.500387 0.002178 Be\n0.500387 0.002178 0.751323 Be\n0.502178 0.000387 0.251323 Be\n0.000387 0.251323 0.502178 Be\n0.002178 0.751323 0.500387 Be\n0.251323 0.502178 0.000387 Be\n0.670082 0.667317 0.330402 Fe\n0.331086 0.331086 0.331086 Fe\n0.170082 0.830402 0.167317 Fe\n0.831086 0.831086 0.831086 Fe\n0.167317 0.170082 0.830402 Fe\n0.330402 0.670082 0.667317 Fe\n0.830402 0.167317 0.170082 Fe\n0.667317 0.330402 0.670082 Fe\n0.252902 0.997145 0.503447 Si\n0.497145 0.752902 0.003447 Si\n0.503447 0.252902 0.997145 Si\n0.752902 0.003447 0.497145 Si\n0.997145 0.503447 0.252902 Si\n0.003447 0.497145 0.752902 Si\n0.000212 0.000212 0.000212 S\n0.500212 0.500212 0.500212 S\n0.145392 0.414632 0.861963 O\n0.140306 0.587628 0.141479 O\n0.588651 0.864379 0.864656 O\n0.414632 0.861963 0.145392 O\n0.147093 0.856473 0.415802 O\n0.861963 0.145392 0.414632 O\n0.645392 0.361963 0.914632 O\n0.856473 0.415802 0.147093 O\n0.864656 0.588651 0.864379 O\n0.415802 0.147093 0.856473 O\n0.587628 0.141479 0.140306 O\n0.141479 0.140306 0.587628 O\n0.864379 0.864656 0.588651 O\n0.088651 0.364656 0.364379 O\n0.647093 0.915802 0.356473 O\n0.364379 0.088651 0.364656 O\n0.087628 0.640306 0.641479 O\n0.361963 0.914632 0.645392 O\n0.914632 0.645392 0.361963 O\n0.915802 0.356473 0.647093 O\n0.641479 0.087628 0.640306 O\n0.640306 0.641479 0.087628 O\n0.364656 0.364379 0.088651 O\n0.356473 0.647093 0.915802 O\n",
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},
{
"id": "mp-1197919",
"created_at": "2022-09-04T14:42:18.228748Z",
"structure_string": "Zr4 P8 O36\n1.0\n5.405776 0.000000 0.000000\n0.000000 9.152413 0.000000\n0.000000 5.427724 14.860008\nZr P O\n4 8 36\ndirect\n0.766500 0.235289 0.027257 Zr\n0.266500 0.764711 0.472743 Zr\n0.233500 0.764711 0.972743 Zr\n0.733500 0.235289 0.527257 Zr\n0.262467 0.989713 0.119887 P\n0.762467 0.010287 0.380113 P\n0.737533 0.010287 0.880113 P\n0.237533 0.989713 0.619887 P\n0.769508 0.548472 0.604144 P\n0.269508 0.451528 0.895856 P\n0.230492 0.451528 0.395856 P\n0.730492 0.548472 0.104144 P\n0.286777 0.900244 0.054048 O\n0.786777 0.099756 0.445952 O\n0.713223 0.099756 0.945952 O\n0.213223 0.900244 0.554048 O\n0.005286 0.066125 0.110645 O\n0.505286 0.933875 0.389355 O\n0.994714 0.933875 0.889355 O\n0.494714 0.066125 0.610645 O\n0.462878 0.116366 0.100727 O\n0.962878 0.883634 0.399273 O\n0.537122 0.883634 0.899273 O\n0.037122 0.116366 0.600727 O\n0.294738 0.870001 0.217060 O\n0.794738 0.129999 0.282940 O\n0.705262 0.129999 0.782940 O\n0.205262 0.870001 0.717060 O\n0.566951 0.665050 0.556045 O\n0.066951 0.334950 0.943955 O\n0.433049 0.334950 0.443955 O\n0.933049 0.665050 0.056045 O\n0.023018 0.603031 0.560960 O\n0.523018 0.396969 0.939040 O\n0.976982 0.396969 0.439040 O\n0.476982 0.603031 0.060960 O\n0.785598 0.532732 0.706042 O\n0.285598 0.467268 0.793958 O\n0.214402 0.467268 0.293958 O\n0.714402 0.532732 0.206042 O\n0.294726 0.612748 0.400855 O\n0.794726 0.387252 0.099145 O\n0.705274 0.387252 0.599145 O\n0.205274 0.612748 0.900855 O\n0.861946 0.735606 0.741020 O\n0.361946 0.264394 0.758980 O\n0.138054 0.264394 0.258980 O\n0.638054 0.735606 0.241020 O\n",
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{
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"created_at": "2022-09-04T14:41:31.147323Z",
"structure_string": "Cs2 Na4 Fe6 P8 Cl2 O28\n1.0\n2.648375 10.588129 0.000000\n-2.648375 10.588129 0.000000\n0.000000 6.647039 12.267800\nCs Na Fe P Cl O\n2 4 6 8 2 28\ndirect\n0.500000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.248781 0.309024 0.150755 Na\n0.690976 0.751219 0.349245 Na\n0.751219 0.690976 0.849245 Na\n0.309024 0.248781 0.650755 Na\n0.666734 0.642973 0.156251 Fe\n0.357027 0.333266 0.343749 Fe\n0.333266 0.357027 0.843749 Fe\n0.642973 0.666734 0.656251 Fe\n0.937371 0.062629 0.250000 Fe\n0.062629 0.937371 0.750000 Fe\n0.179821 0.136984 0.006789 P\n0.863016 0.820179 0.493211 P\n0.820179 0.863016 0.993211 P\n0.136984 0.179821 0.506789 P\n0.869743 0.890668 0.175091 P\n0.109332 0.130257 0.324909 P\n0.130257 0.109332 0.824909 P\n0.890668 0.869743 0.675091 P\n0.461914 0.538086 0.250000 Cl\n0.538086 0.461914 0.750000 Cl\n0.951701 0.964683 0.152214 O\n0.035317 0.048299 0.347786 O\n0.048299 0.035317 0.847786 O\n0.964683 0.951701 0.652214 O\n0.078265 0.138311 0.948095 O\n0.861689 0.921735 0.551905 O\n0.921735 0.861689 0.051905 O\n0.138311 0.078265 0.448095 O\n0.889063 0.424356 0.285022 O\n0.575644 0.110937 0.214978 O\n0.110937 0.575644 0.714978 O\n0.424356 0.889063 0.785022 O\n0.985979 0.252768 0.112498 O\n0.747232 0.014021 0.387502 O\n0.014021 0.747232 0.887502 O\n0.252768 0.985979 0.612498 O\n0.464150 0.848788 0.026631 O\n0.151212 0.535850 0.473369 O\n0.535850 0.151212 0.973369 O\n0.848788 0.464150 0.526631 O\n0.042412 0.624965 0.245317 O\n0.375035 0.957588 0.254683 O\n0.957588 0.375035 0.754683 O\n0.624965 0.042412 0.745317 O\n0.847269 0.688099 0.073095 O\n0.311901 0.152731 0.426905 O\n0.152731 0.311901 0.926905 O\n0.688099 0.847269 0.573095 O\n",
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{
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"updated_at": "2021-11-28T01:38:22.791000Z",
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}
]
}