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{
"id": "mp-31136",
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"structure_string": "Lu2 Ni1 Sn6\n1.0\n2.183359 -11.133576 0.000000\n2.183359 11.133576 0.000000\n0.000000 0.000000 4.418152\nLu Ni Sn\n2 1 6\ndirect\n0.178919 0.821081 0.000000 Lu\n0.821081 0.178919 0.000000 Lu\n0.500000 0.500000 0.500000 Ni\n0.429446 0.570554 0.000000 Sn\n0.570554 0.429446 0.000000 Sn\n0.071589 0.928411 0.500000 Sn\n0.928411 0.071589 0.500000 Sn\n0.703246 0.296754 0.500000 Sn\n0.296754 0.703246 0.500000 Sn\n",
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{
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"formula_full": "K4 Li4 S4 O16",
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"spacegroup": 33
},
{
"id": "mp-1210850",
"created_at": "2022-09-04T14:40:19.419478Z",
"structure_string": "Li4 In2 P4 O16\n1.0\n8.442999 0.000000 0.000000\n0.000000 4.914596 0.000000\n0.000000 3.662550 7.705853\nLi In P O\n4 2 4 16\ndirect\n0.372781 0.948324 0.160983 Li\n0.627219 0.051676 0.839017 Li\n0.872781 0.051676 0.339017 Li\n0.127219 0.948324 0.660983 Li\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.656741 0.654379 0.233695 P\n0.343259 0.345621 0.766305 P\n0.156741 0.345621 0.266305 P\n0.843259 0.654379 0.733695 P\n0.818558 0.816272 0.200610 O\n0.181442 0.183728 0.799390 O\n0.318558 0.183728 0.299390 O\n0.681442 0.816272 0.700610 O\n0.681032 0.308039 0.330291 O\n0.318968 0.691961 0.669709 O\n0.181032 0.691961 0.169709 O\n0.818968 0.308039 0.830291 O\n0.567738 0.729529 0.061269 O\n0.432262 0.270471 0.938731 O\n0.067738 0.270471 0.438731 O\n0.932262 0.729529 0.561269 O\n0.546447 0.756761 0.342803 O\n0.453553 0.243239 0.657197 O\n0.046447 0.243239 0.157197 O\n0.953553 0.756761 0.842803 O\n",
"nsites": 26,
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"formula_full": "Li4 In2 P4 O16",
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{
"id": "mp-1191202",
"created_at": "2022-09-04T14:40:19.413646Z",
"structure_string": "Co8 Sb8 S8\n1.0\n5.860264 0.000000 0.000000\n0.000000 5.935998 0.000000\n0.000000 0.000000 11.698248\nCo Sb S\n8 8 8\ndirect\n0.516638 0.821653 0.358861 Co\n0.016638 0.678347 0.641139 Co\n0.483362 0.321653 0.141139 Co\n0.983362 0.178347 0.858861 Co\n0.483362 0.178347 0.641139 Co\n0.983362 0.321653 0.358861 Co\n0.516638 0.678347 0.858861 Co\n0.016638 0.821653 0.141139 Co\n0.369378 0.193023 0.430332 Sb\n0.869378 0.306977 0.569668 Sb\n0.630622 0.693023 0.069668 Sb\n0.130622 0.806977 0.930332 Sb\n0.630622 0.806977 0.569668 Sb\n0.130622 0.693023 0.430332 Sb\n0.369378 0.306977 0.930332 Sb\n0.869378 0.193023 0.069668 Sb\n0.626980 0.448171 0.313849 S\n0.126980 0.051829 0.686151 S\n0.373020 0.948171 0.186151 S\n0.873020 0.551829 0.813849 S\n0.373020 0.551829 0.686151 S\n0.873020 0.948171 0.313849 S\n0.626980 0.051829 0.813849 S\n0.126980 0.448171 0.186151 S\n",
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"volume": 406.9412840116705,
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"formula_full": "Co8 Sb8 S8",
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"formula_anonymous": "ABC",
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"spacegroup": 61
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{
"id": "mp-1518514",
"created_at": "2022-09-04T14:40:19.412718Z",
"structure_string": "Sr1 Ca1 Dy1 Mn1 O6\n1.0\n0.000000 -4.086074 -4.086074\n4.086074 0.000000 -4.086074\n4.086074 -4.086074 -0.000000\nSr Ca Dy Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Mn\n0.732486 0.267514 0.267514 O\n0.267514 0.732486 0.732486 O\n0.732486 0.267514 0.732486 O\n0.267514 0.732486 0.267514 O\n0.732486 0.732486 0.267514 O\n0.267514 0.267514 0.732486 O\n",
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"formula_full": "Sr1 Ca1 Dy1 Mn1 O6",
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{
"id": "mp-763793",
"created_at": "2022-09-04T14:40:19.411324Z",
"structure_string": "Li4 Mn6 F16\n1.0\n3.220856 -5.578686 0.000000\n3.220856 5.578686 0.000000\n0.000000 0.000000 9.339067\nLi Mn F\n4 6 16\ndirect\n0.333333 0.666667 0.543607 Li\n0.333333 0.666667 0.915361 Li\n0.666667 0.333333 0.043607 Li\n0.666667 0.333333 0.415361 Li\n0.164955 0.835045 0.246908 Mn\n0.164955 0.329911 0.246908 Mn\n0.329911 0.164955 0.746908 Mn\n0.670089 0.835045 0.246908 Mn\n0.835045 0.670089 0.746908 Mn\n0.835045 0.164955 0.746908 Mn\n0.171327 0.828673 0.640736 F\n0.025501 0.512750 0.375100 F\n0.333333 0.666667 0.124432 F\n0.000000 0.000000 0.362200 F\n0.000000 0.000000 0.862200 F\n0.171327 0.342654 0.640736 F\n0.487250 0.974499 0.375100 F\n0.487250 0.512750 0.375100 F\n0.657346 0.828673 0.640736 F\n0.342654 0.171327 0.140736 F\n0.512750 0.487250 0.875100 F\n0.512750 0.025501 0.875100 F\n0.828673 0.657346 0.140736 F\n0.666667 0.333333 0.624432 F\n0.974499 0.487250 0.875100 F\n0.828673 0.171327 0.140736 F\n",
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{
"id": "mp-1196442",
"created_at": "2022-09-04T14:40:19.411101Z",
"structure_string": "K4 U4 Se4 O32\n1.0\n8.260725 0.000000 0.000000\n0.000000 8.472366 0.000000\n0.000000 3.836009 11.052858\nK U Se O\n4 4 4 32\ndirect\n0.535529 0.439986 0.795220 K\n0.035529 0.560014 0.704780 K\n0.464471 0.560014 0.204780 K\n0.964471 0.439986 0.295220 K\n0.095809 0.930043 0.293538 U\n0.595809 0.069957 0.206462 U\n0.904191 0.069957 0.706462 U\n0.404191 0.930043 0.793538 U\n0.237505 0.307574 0.036790 Se\n0.737505 0.692426 0.463210 Se\n0.762495 0.692426 0.963210 Se\n0.262495 0.307574 0.536790 Se\n0.440983 0.281360 0.065871 O\n0.940983 0.718640 0.434129 O\n0.559017 0.718640 0.934129 O\n0.059017 0.281360 0.565871 O\n0.026727 0.092062 0.353248 O\n0.526727 0.907938 0.146752 O\n0.973273 0.907938 0.646752 O\n0.473273 0.092062 0.853248 O\n0.213002 0.362547 0.889519 O\n0.713002 0.637453 0.610481 O\n0.786998 0.637453 0.110481 O\n0.286998 0.362547 0.389519 O\n0.172271 0.442856 0.100445 O\n0.672271 0.557144 0.399555 O\n0.827729 0.557144 0.899555 O\n0.327729 0.442856 0.600445 O\n0.180980 0.752878 0.255068 O\n0.680980 0.247122 0.244932 O\n0.819020 0.247122 0.744932 O\n0.319020 0.752878 0.755068 O\n0.855660 0.965099 0.203376 O\n0.355660 0.034901 0.296624 O\n0.144340 0.034901 0.796624 O\n0.644340 0.965099 0.703376 O\n0.151552 0.116154 0.102976 O\n0.651552 0.883846 0.397024 O\n0.848448 0.883846 0.897024 O\n0.348448 0.116154 0.602976 O\n0.278085 0.826531 0.447153 O\n0.778085 0.173469 0.052847 O\n0.721915 0.173469 0.552847 O\n0.221915 0.826531 0.947153 O\n",
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{
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{
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{
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}