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{
"id": "mp-1043442",
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{
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"structure_string": "Ca2 Te2\n1.0\n2.229721 -3.861990 0.000000\n2.229721 3.861990 0.000000\n0.000000 0.000000 7.660677\nCa Te\n2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.750000 Te\n0.666667 0.333333 0.250000 Te\n",
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},
{
"id": "mp-1221766",
"created_at": "2022-09-04T14:48:21.862055Z",
"structure_string": "Mn1 Cr8 Cu3 S16\n1.0\n7.008380 0.000000 0.000000\n0.000000 7.008380 0.000000\n0.000000 0.000000 9.911326\nMn Cr Cu S\n1 8 3 16\ndirect\n0.500000 0.500000 0.500000 Mn\n0.756168 0.000000 0.625386 Cr\n0.250057 0.500000 0.121279 Cr\n0.243832 0.000000 0.625386 Cr\n0.749943 0.500000 0.121279 Cr\n0.000000 0.243832 0.374614 Cr\n0.500000 0.749943 0.878721 Cr\n0.500000 0.250057 0.878721 Cr\n0.000000 0.756168 0.374614 Cr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.249764 Cu\n0.000000 0.500000 0.750236 Cu\n0.768947 0.500000 0.365015 S\n0.266095 0.000000 0.866687 S\n0.231053 0.500000 0.365015 S\n0.733905 0.000000 0.866687 S\n0.500000 0.231053 0.634985 S\n0.000000 0.733905 0.133313 S\n0.500000 0.768947 0.634985 S\n0.000000 0.266095 0.133313 S\n0.234042 0.000000 0.382996 S\n0.734403 0.500000 0.883303 S\n0.765958 0.000000 0.382996 S\n0.265597 0.500000 0.883303 S\n0.500000 0.265597 0.116697 S\n0.000000 0.765958 0.617004 S\n0.500000 0.734403 0.116697 S\n0.000000 0.234042 0.617004 S\n",
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"volume": 486.81846678324155,
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{
"id": "mp-1212501",
"created_at": "2022-09-04T14:48:21.864857Z",
"structure_string": "Ho12 Mn5 C15\n1.0\n0.000000 0.000000 -5.021376\n-5.210211 -9.024350 0.000000\n-5.210211 9.024350 0.000000\nHo Mn C\n12 5 15\ndirect\n0.500000 0.206262 0.206262 Ho\n0.500000 0.000000 0.793738 Ho\n0.500000 0.793738 0.000000 Ho\n0.000000 0.730465 0.185456 Ho\n0.000000 0.454991 0.269535 Ho\n0.000000 0.545009 0.814544 Ho\n0.000000 0.814544 0.545009 Ho\n0.000000 0.185456 0.730465 Ho\n0.000000 0.269535 0.454991 Ho\n0.500000 0.571433 0.571433 Ho\n0.500000 0.000000 0.428567 Ho\n0.500000 0.428567 0.000000 Ho\n0.000000 0.847241 0.847241 Mn\n0.000000 0.000000 0.152759 Mn\n0.000000 0.152759 0.000000 Mn\n0.500000 0.666667 0.333333 Mn\n0.500000 0.333333 0.666667 Mn\n0.000000 0.675679 0.675679 C\n0.000000 0.000000 0.324321 C\n0.000000 0.324321 0.000000 C\n0.000000 0.202141 0.202141 C\n0.000000 0.000000 0.797859 C\n0.000000 0.797859 0.000000 C\n0.000000 0.545756 0.545756 C\n0.000000 0.000000 0.454244 C\n0.000000 0.454244 0.000000 C\n0.500000 0.715538 0.191891 C\n0.500000 0.476353 0.284462 C\n0.500000 0.523647 0.808109 C\n0.500000 0.808109 0.523647 C\n0.500000 0.191891 0.715538 C\n0.500000 0.284462 0.476353 C\n",
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"volume": 472.1978227325534,
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"formula_full": "Ho12 Mn5 C15",
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{
"id": "mp-1046381",
"created_at": "2022-09-04T14:48:21.866082Z",
"structure_string": "Ba2 Al1 Tl1 Co2 O7\n1.0\n4.043025 0.000000 0.000000\n0.013550 4.267082 0.000000\n1.751049 0.080846 11.425004\nBa Al Tl Co O\n2 1 1 2 7\ndirect\n0.392446 0.517300 0.222419 Ba\n0.607265 0.520337 0.777264 Ba\n0.503617 0.371735 0.500483 Al\n0.000632 0.081280 0.000347 Tl\n0.864695 0.989288 0.374356 Co\n0.134027 0.987312 0.617466 Co\n0.925304 0.982614 0.186714 O\n0.802219 0.530606 0.387356 O\n0.330072 0.081121 0.411200 O\n0.664068 0.079766 0.594374 O\n0.499154 0.348021 0.001549 O\n0.197397 0.528740 0.610117 O\n0.079100 0.981876 0.816354 O\n",
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"formula_full": "Ba2 Al1 Tl1 Co2 O7",
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{
"id": "mp-1193865",
"created_at": "2022-09-04T14:48:21.869784Z",
"structure_string": "Dy2 Fe12 Ge12\n1.0\n0.000000 0.000000 5.131629\n8.150426 0.000000 0.000000\n-4.075213 8.825339 0.000000\nDy Fe Ge\n2 12 12\ndirect\n0.250000 0.126912 0.253825 Dy\n0.750000 0.873088 0.746175 Dy\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.749869 0.000000 Fe\n0.000000 0.749869 0.000000 Fe\n0.500000 0.250131 0.000000 Fe\n0.000000 0.250131 0.000000 Fe\n0.750000 0.875027 0.250210 Fe\n0.250000 0.624818 0.749790 Fe\n0.250000 0.124973 0.749790 Fe\n0.750000 0.375182 0.250210 Fe\n0.750000 0.042322 0.084645 Ge\n0.250000 0.957678 0.915355 Ge\n0.750000 0.540959 0.081919 Ge\n0.250000 0.459041 0.918081 Ge\n0.750000 0.210738 0.421476 Ge\n0.250000 0.789262 0.578524 Ge\n0.750000 0.705256 0.410513 Ge\n0.250000 0.294744 0.589487 Ge\n0.250000 0.777984 0.248886 Ge\n0.750000 0.529097 0.751114 Ge\n0.750000 0.222016 0.751114 Ge\n0.250000 0.470903 0.248886 Ge\n",
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{
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"structure_string": "Ti4 Fe8 O18\n1.0\n5.145112 0.000000 0.000000\n-0.109545 5.514845 0.000000\n-2.555360 -1.555898 11.275270\nTi Fe O\n4 8 18\ndirect\n0.047635 0.334296 0.097010 Ti\n0.719910 0.010061 0.426792 Ti\n0.280090 0.989939 0.573208 Ti\n0.952365 0.665704 0.902990 Ti\n0.549965 0.841911 0.096483 Fe\n0.618431 0.332388 0.236363 Fe\n0.121634 0.816597 0.236292 Fe\n0.779261 0.489040 0.567970 Fe\n0.220739 0.510960 0.432030 Fe\n0.878366 0.183403 0.763708 Fe\n0.381569 0.667612 0.763637 Fe\n0.450035 0.158089 0.903517 Fe\n0.378762 0.576704 0.167411 O\n0.898878 0.683370 0.059070 O\n0.789672 0.972870 0.273869 O\n0.261587 0.092007 0.166519 O\n0.698985 0.190755 0.069519 O\n0.976676 0.486043 0.261775 O\n0.560327 0.335938 0.395581 O\n0.938918 0.769997 0.498138 O\n0.366112 0.858771 0.397683 O\n0.633888 0.141229 0.602317 O\n0.061082 0.230003 0.501862 O\n0.439673 0.664062 0.604419 O\n0.023324 0.513957 0.738225 O\n0.301015 0.809245 0.930481 O\n0.738413 0.907993 0.833481 O\n0.210328 0.027130 0.726131 O\n0.101122 0.316630 0.940930 O\n0.621238 0.423296 0.832589 O\n",
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{
"id": "mp-1247274",
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{
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{
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"structure_string": "Ba1 Mg30 Mn1 O32\n1.0\n8.675632 0.000000 0.000000\n0.000000 8.675632 0.000000\n0.000000 0.000000 8.671886\nBa Mg Mn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259313 0.000000 0.243307 Mg\n0.259313 0.000000 0.756693 Mg\n0.740687 0.000000 0.243307 Mg\n0.740687 0.000000 0.756693 Mg\n0.251133 0.500000 0.249115 Mg\n0.251133 0.500000 0.750885 Mg\n0.748867 0.500000 0.249115 Mg\n0.748867 0.500000 0.750885 Mg\n0.000000 0.259313 0.243307 Mg\n0.000000 0.259313 0.756693 Mg\n0.500000 0.251133 0.249115 Mg\n0.500000 0.251133 0.750885 Mg\n0.000000 0.740687 0.243307 Mg\n0.000000 0.740687 0.756693 Mg\n0.500000 0.748867 0.249115 Mg\n0.500000 0.748867 0.750885 Mg\n0.251675 0.251675 0.000000 Mg\n0.257593 0.257593 0.500000 Mg\n0.748325 0.251675 0.000000 Mg\n0.742407 0.257593 0.500000 Mg\n0.251675 0.748325 0.000000 Mg\n0.257593 0.742407 0.500000 Mg\n0.748325 0.748325 0.000000 Mg\n0.742407 0.742407 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.262825 0.000000 O\n0.000000 0.279178 0.500000 O\n0.500000 0.252778 0.000000 O\n0.500000 0.256066 0.500000 O\n0.000000 0.737175 0.000000 O\n0.000000 0.720822 0.500000 O\n0.500000 0.747222 0.000000 O\n0.500000 0.743934 0.500000 O\n0.249447 0.249447 0.250164 O\n0.249447 0.249447 0.749836 O\n0.750553 0.249447 0.250164 O\n0.750553 0.249447 0.749836 O\n0.249447 0.750553 0.250164 O\n0.249447 0.750553 0.749836 O\n0.750553 0.750553 0.250164 O\n0.750553 0.750553 0.749836 O\n0.000000 0.000000 0.225841 O\n0.000000 0.000000 0.774159 O\n0.500000 0.000000 0.245548 O\n0.500000 0.000000 0.754452 O\n0.000000 0.500000 0.245548 O\n0.000000 0.500000 0.754452 O\n0.500000 0.500000 0.248748 O\n0.500000 0.500000 0.751252 O\n0.262825 0.000000 0.000000 O\n0.279178 0.000000 0.500000 O\n0.737175 0.000000 0.000000 O\n0.720822 0.000000 0.500000 O\n0.252778 0.500000 0.000000 O\n0.256066 0.500000 0.500000 O\n0.747222 0.500000 0.000000 O\n0.743934 0.500000 0.500000 O\n",
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"elements": [
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"formula_full": "Ba1 Mg30 Mn1 O32",
"formula_reduced": "BaMg30MnO32",
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"updated_at": "2021-11-28T01:38:51.158000Z",
"spacegroup": 123
},
{
"id": "mp-757177",
"created_at": "2022-09-04T14:48:21.903668Z",
"structure_string": "Li12 Cu2 S8\n1.0\n7.990974 0.000000 0.000000\n0.000000 7.990974 0.000000\n0.000000 0.000000 5.678244\nLi Cu S\n12 2 8\ndirect\n0.276648 0.276648 0.500000 Li\n0.723352 0.276648 0.500000 Li\n0.000000 0.500000 0.453713 Li\n0.000000 0.500000 0.953713 Li\n0.276648 0.723352 0.500000 Li\n0.723352 0.723352 0.500000 Li\n0.776648 0.776648 0.000000 Li\n0.223352 0.776648 0.000000 Li\n0.500000 0.000000 0.046287 Li\n0.500000 0.000000 0.546287 Li\n0.776648 0.223352 0.000000 Li\n0.223352 0.223352 0.000000 Li\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.255215 0.703454 S\n0.755215 0.500000 0.203454 S\n0.244785 0.500000 0.203454 S\n0.000000 0.744785 0.703454 S\n0.500000 0.755215 0.796546 S\n0.744785 0.000000 0.296546 S\n0.255215 0.000000 0.296546 S\n0.500000 0.244785 0.796546 S\n",
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"elements": [
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"chemical_system": "Cu-Li-S",
"density": 2.1382732658169386,
"density_atomic": 0.060674917559065504,
"volume": 362.58804931351665,
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"formula_full": "Li12 Cu2 S8",
"formula_reduced": "Li6CuS4",
"formula_anonymous": "AB4C6",
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},
{
"id": "mp-23219",
"created_at": "2022-09-04T14:48:22.257222Z",
"structure_string": "Cu1 Br2\n1.0\n1.746279 3.845883 0.000000\n-1.746279 3.845883 0.000000\n0.000000 3.388967 6.194183\nCu Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.509374 0.509374 0.758001 Br\n0.490626 0.490626 0.241999 Br\n",
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],
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"updated_at": "2021-11-28T01:39:06.683000Z",
"spacegroup": 12
}
]
}