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{
"id": "mp-1223200",
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"structure_string": "La6 Ta1 Ga11 O28\n1.0\n4.160758 8.873618 0.000000\n-4.160758 8.873618 0.000000\n0.000000 6.043406 8.408461\nLa Ta Ga O\n6 1 11 28\ndirect\n0.579706 0.001427 0.209237 La\n0.571187 0.998688 0.715271 La\n0.419321 0.580679 0.000000 La\n0.429718 0.570282 0.500000 La\n0.998573 0.420294 0.790763 La\n0.001312 0.428813 0.284729 La\n0.999981 0.000019 0.500000 Ta\n0.240780 0.999495 0.634516 Ga\n0.240570 0.000504 0.124814 Ga\n0.758514 0.239933 0.245270 Ga\n0.760067 0.241486 0.754730 Ga\n0.000505 0.759220 0.365484 Ga\n0.999496 0.759430 0.875186 Ga\n0.333206 0.330929 0.402963 Ga\n0.333421 0.335760 0.899883 Ga\n0.669071 0.666794 0.597037 Ga\n0.664240 0.666579 0.100117 Ga\n0.000130 0.999870 0.000000 Ga\n0.854907 0.691239 0.575569 O\n0.852249 0.688004 0.079027 O\n0.459112 0.852985 0.693040 O\n0.454425 0.854089 0.194496 O\n0.688922 0.459425 0.775075 O\n0.690239 0.454264 0.276402 O\n0.147015 0.540888 0.306960 O\n0.145911 0.545575 0.805504 O\n0.308761 0.145093 0.424431 O\n0.311996 0.147751 0.920973 O\n0.540575 0.311078 0.224925 O\n0.545736 0.309761 0.723598 O\n0.335747 0.332671 0.576693 O\n0.330883 0.334031 0.078047 O\n0.667329 0.664253 0.423307 O\n0.665969 0.669117 0.921953 O\n0.854892 0.925007 0.230045 O\n0.859844 0.919794 0.726551 O\n0.220366 0.859839 0.576307 O\n0.220186 0.854796 0.082522 O\n0.919463 0.220606 0.546196 O\n0.925556 0.219835 0.047602 O\n0.140161 0.779634 0.423693 O\n0.145204 0.779814 0.917478 O\n0.074993 0.145108 0.769955 O\n0.080206 0.140156 0.273449 O\n0.779394 0.080537 0.453804 O\n0.780165 0.074444 0.952398 O\n",
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"formula_full": "La6 Ta1 Ga11 O28",
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"formula_anonymous": "AB6C11D28",
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{
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"structure_string": "Eu2 Hf1 Fe1 O6\n1.0\n-0.000000 -4.026818 -4.026818\n4.026818 -0.000000 -4.026818\n4.026818 -4.026818 0.000000\nEu Hf Fe O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Hf\n0.000000 -0.000000 0.000000 Fe\n0.753522 0.246478 0.246478 O\n0.246478 0.753522 0.753522 O\n0.753522 0.246478 0.753522 O\n0.246478 0.753522 0.246478 O\n0.753522 0.753522 0.246478 O\n0.246478 0.246478 0.753522 O\n",
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"formula_full": "Eu2 Hf1 Fe1 O6",
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"updated_at": "2021-11-28T01:36:25.587000Z",
"spacegroup": 225
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{
"id": "mp-30756",
"created_at": "2022-09-04T14:44:00.454432Z",
"structure_string": "La8 Sn24 Ru8\n1.0\n9.876733 0.000000 0.000000\n0.000000 9.876733 0.000000\n0.000000 0.000000 9.876733\nLa Sn Ru\n8 24 8\ndirect\n0.000000 0.250000 0.500000 La\n0.000000 0.750000 0.500000 La\n0.500000 0.000000 0.750000 La\n0.500000 0.000000 0.250000 La\n0.750000 0.500000 0.000000 La\n0.250000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.000000 0.315558 0.842704 Sn\n0.000000 0.684442 0.157296 Sn\n0.815558 0.500000 0.342704 Sn\n0.184442 0.500000 0.342704 Sn\n0.657296 0.184442 0.500000 Sn\n0.342704 0.184442 0.500000 Sn\n0.500000 0.657296 0.815558 Sn\n0.500000 0.342704 0.184442 Sn\n0.000000 0.315558 0.157296 Sn\n0.500000 0.342704 0.815558 Sn\n0.500000 0.657296 0.184442 Sn\n0.657296 0.815558 0.500000 Sn\n0.342704 0.815558 0.500000 Sn\n0.184442 0.500000 0.657296 Sn\n0.815558 0.500000 0.657296 Sn\n0.157296 0.000000 0.315558 Sn\n0.315558 0.157296 0.000000 Sn\n0.684442 0.842704 0.000000 Sn\n0.157296 0.000000 0.684442 Sn\n0.684442 0.157296 0.000000 Sn\n0.842704 0.000000 0.315558 Sn\n0.842704 0.000000 0.684442 Sn\n0.315558 0.842704 0.000000 Sn\n0.000000 0.684442 0.842704 Sn\n0.750000 0.250000 0.250000 Ru\n0.250000 0.250000 0.750000 Ru\n0.250000 0.750000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n0.250000 0.750000 0.750000 Ru\n0.750000 0.750000 0.250000 Ru\n0.750000 0.250000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
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"elements": [
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"formula_full": "La8 Sn24 Ru8",
"formula_reduced": "LaSn3Ru",
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"spacegroup": 223
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{
"id": "mp-1229176",
"created_at": "2022-09-04T14:44:00.456378Z",
"structure_string": "As4 S4 Cl4 O4 F32\n1.0\n9.343048 0.000000 0.000000\n0.000000 8.624698 0.000000\n0.000000 0.940676 10.003530\nAs S Cl O F\n4 4 4 4 32\ndirect\n0.313928 0.996412 0.808028 As\n0.187929 0.496205 0.308425 As\n0.687929 0.503795 0.691575 As\n0.813928 0.003588 0.191972 As\n0.822905 0.003914 0.630048 S\n0.652331 0.493949 0.137075 S\n0.152331 0.506051 0.862925 S\n0.322905 0.996086 0.369952 S\n0.801788 0.033303 0.815455 Cl\n0.705195 0.536657 0.314078 Cl\n0.205195 0.463343 0.685922 Cl\n0.301788 0.966697 0.184545 Cl\n0.699448 0.974145 0.557758 O\n0.199448 0.025855 0.442242 O\n0.557666 0.371614 0.120086 O\n0.057666 0.628386 0.879914 O\n0.351491 0.164598 0.890606 F\n0.151277 0.665224 0.390260 F\n0.651277 0.334776 0.609740 F\n0.851491 0.835402 0.109394 F\n0.221386 0.914791 0.955442 F\n0.281909 0.414890 0.455281 F\n0.781909 0.585110 0.544719 F\n0.721386 0.085209 0.044558 F\n0.150481 0.083954 0.748087 F\n0.350960 0.584623 0.246986 F\n0.850960 0.415377 0.753014 F\n0.650481 0.916046 0.251913 F\n0.472864 0.906677 0.871351 F\n0.028901 0.407707 0.372264 F\n0.528901 0.592293 0.627736 F\n0.972864 0.093323 0.128649 F\n0.269320 0.827562 0.727842 F\n0.232974 0.327317 0.228791 F\n0.732974 0.672683 0.771209 F\n0.769320 0.172438 0.272158 F\n0.404038 0.076086 0.662855 F\n0.097598 0.574391 0.162903 F\n0.597598 0.425609 0.837097 F\n0.904038 0.923914 0.337145 F\n0.795725 0.480898 0.063987 F\n0.295725 0.519102 0.936013 F\n0.908344 0.144852 0.568531 F\n0.601679 0.649971 0.066308 F\n0.101679 0.350029 0.933692 F\n0.408344 0.855148 0.431469 F\n0.939862 0.879886 0.623553 F\n0.439862 0.120114 0.376447 F\n",
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"elements": [
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],
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},
{
"id": "mp-1039385",
"created_at": "2022-09-04T14:44:00.474256Z",
"structure_string": "Ca5 Mg1\n1.0\n1.908401 -3.305448 0.000000\n1.908401 3.305448 0.000000\n0.000000 0.000000 18.737636\nCa Mg\n5 1\ndirect\n0.666667 0.333333 0.852844 Ca\n0.000000 0.000000 0.675355 Ca\n0.666667 0.333333 0.500000 Ca\n0.000000 0.000000 0.324645 Ca\n0.666667 0.333333 0.147156 Ca\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "mp-18112",
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"structure_string": "Sr8 Ge8 Se20\n1.0\n12.467745 0.000000 0.000000\n0.000000 8.605530 0.000000\n0.000000 7.965705 9.303805\nSr Ge Se\n8 8 20\ndirect\n0.198728 0.535245 0.524040 Sr\n0.698728 0.464755 0.975960 Sr\n0.801272 0.464755 0.475960 Sr\n0.301272 0.535245 0.024040 Sr\n0.337953 0.011642 0.532890 Sr\n0.837953 0.988358 0.967110 Sr\n0.662047 0.988358 0.467110 Sr\n0.162047 0.011642 0.032890 Sr\n0.980911 0.515369 0.187404 Ge\n0.019089 0.484631 0.812596 Ge\n0.519089 0.515369 0.687404 Ge\n0.480911 0.484631 0.312596 Ge\n0.449707 0.158680 0.836014 Ge\n0.949707 0.841320 0.663986 Ge\n0.550293 0.841320 0.163986 Ge\n0.050293 0.158680 0.336014 Ge\n0.409592 0.096740 0.060165 Se\n0.909592 0.903260 0.439835 Se\n0.590408 0.903260 0.939835 Se\n0.090408 0.096740 0.560165 Se\n0.205616 0.062741 0.280334 Se\n0.294384 0.062741 0.780334 Se\n0.705616 0.937259 0.219666 Se\n0.794384 0.937259 0.719666 Se\n0.441634 0.749374 0.457292 Se\n0.941634 0.250626 0.042708 Se\n0.558366 0.250626 0.542708 Se\n0.058366 0.749374 0.957292 Se\n0.508956 0.325549 0.211654 Se\n0.008956 0.674451 0.288346 Se\n0.491044 0.674451 0.788346 Se\n0.991044 0.325549 0.711654 Se\n0.211903 0.515083 0.796906 Se\n0.711903 0.484917 0.703094 Se\n0.788097 0.484917 0.203094 Se\n0.288097 0.515083 0.296906 Se\n",
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{
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"structure_string": "Lu4 H32 S6 O40\n1.0\n3.310110 7.385041 0.000000\n-3.310110 7.385041 0.000000\n0.000000 5.564016 17.600991\nLu H S O\n4 32 6 40\ndirect\n0.164420 0.178745 0.620616 Lu\n0.821255 0.835580 0.879384 Lu\n0.835580 0.821255 0.379384 Lu\n0.178745 0.164420 0.120616 Lu\n0.472740 0.264419 0.523603 H\n0.735581 0.527260 0.976397 H\n0.527260 0.735581 0.476397 H\n0.264419 0.472740 0.023603 H\n0.229872 0.476127 0.508497 H\n0.523873 0.770128 0.991503 H\n0.770128 0.523873 0.491503 H\n0.476127 0.229872 0.008497 H\n0.247398 0.219680 0.758189 H\n0.780320 0.752602 0.741811 H\n0.752602 0.780320 0.241811 H\n0.219680 0.247398 0.258189 H\n0.369942 0.283237 0.686826 H\n0.716763 0.630058 0.813174 H\n0.630058 0.716763 0.313174 H\n0.283237 0.369942 0.186826 H\n0.087100 0.714510 0.765449 H\n0.285490 0.912900 0.734551 H\n0.912900 0.285490 0.234551 H\n0.714510 0.087100 0.265449 H\n0.825342 0.061105 0.556794 H\n0.938895 0.174658 0.943206 H\n0.174658 0.938895 0.443206 H\n0.061105 0.825342 0.056794 H\n0.047930 0.911897 0.642483 H\n0.088103 0.952070 0.857517 H\n0.952070 0.088103 0.357517 H\n0.911897 0.047930 0.142483 H\n0.311774 0.710779 0.660991 H\n0.289221 0.688226 0.839009 H\n0.688226 0.289221 0.339009 H\n0.710779 0.311774 0.160991 H\n0.222664 0.240563 0.419916 S\n0.759437 0.777336 0.080084 S\n0.777336 0.759437 0.580084 S\n0.240563 0.222664 0.919916 S\n0.656167 0.343833 0.750000 S\n0.343833 0.656167 0.250000 S\n0.151390 0.160807 0.495651 O\n0.839193 0.848610 0.004349 O\n0.848610 0.839193 0.504349 O\n0.160807 0.151390 0.995651 O\n0.468021 0.100726 0.408345 O\n0.899274 0.531979 0.091655 O\n0.531979 0.899274 0.591655 O\n0.100726 0.468021 0.908345 O\n0.123428 0.474648 0.420741 O\n0.525352 0.876572 0.079259 O\n0.876572 0.525352 0.579259 O\n0.474648 0.123428 0.920741 O\n0.138571 0.235945 0.358965 O\n0.764055 0.861429 0.141035 O\n0.861429 0.764055 0.641035 O\n0.235945 0.138571 0.858965 O\n0.873873 0.291700 0.713012 O\n0.708300 0.126127 0.786988 O\n0.126127 0.708300 0.286988 O\n0.291700 0.873873 0.213012 O\n0.500988 0.447388 0.693554 O\n0.552612 0.499012 0.806446 O\n0.499012 0.552612 0.306446 O\n0.447388 0.500988 0.193554 O\n0.319202 0.357628 0.548140 O\n0.642372 0.680798 0.951860 O\n0.680798 0.642372 0.451860 O\n0.357628 0.319202 0.048140 O\n0.267487 0.249892 0.701993 O\n0.750108 0.732513 0.798007 O\n0.732513 0.750108 0.298007 O\n0.249892 0.267487 0.201993 O\n0.224976 0.899753 0.391227 O\n0.100247 0.775024 0.108773 O\n0.775024 0.100247 0.608773 O\n0.899753 0.224976 0.891227 O\n0.196403 0.870273 0.638837 O\n0.129727 0.803597 0.861163 O\n0.803597 0.129727 0.361163 O\n0.870273 0.196403 0.138837 O\n",
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{
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}