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{
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{
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{
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"structure_string": "Ce6 Mg23 P1\n1.0\n0.000000 7.236455 7.236455\n7.236455 0.000000 7.236455\n7.236455 7.236455 0.000000\nCe Mg P\n6 23 1\ndirect\n0.801151 0.801151 0.198849 Ce\n0.198849 0.801151 0.198849 Ce\n0.801151 0.198849 0.198849 Ce\n0.198849 0.198849 0.801151 Ce\n0.801151 0.198849 0.801151 Ce\n0.198849 0.801151 0.801151 Ce\n0.829537 0.829537 0.511388 Mg\n0.829537 0.511388 0.829537 Mg\n0.511388 0.829537 0.829537 Mg\n0.829537 0.829537 0.829537 Mg\n0.170463 0.170463 0.488612 Mg\n0.170463 0.488612 0.170463 Mg\n0.488612 0.170463 0.170463 Mg\n0.170463 0.170463 0.170463 Mg\n0.620562 0.620562 0.138314 Mg\n0.620562 0.138314 0.620562 Mg\n0.138314 0.620562 0.620562 Mg\n0.620562 0.620562 0.620562 Mg\n0.379438 0.379438 0.861686 Mg\n0.379438 0.861686 0.379438 Mg\n0.861686 0.379438 0.379438 Mg\n0.379438 0.379438 0.379438 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 P\n",
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},
{
"id": "mp-2371",
"created_at": "2022-09-04T14:41:26.585107Z",
"structure_string": "Ga2 Te5\n1.0\n-4.102513 4.102513 3.485970\n4.102513 -4.102513 3.485970\n4.102513 4.102513 -3.485970\nGa Te\n2 5\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.177878 0.673824 0.851702 Te\n0.822122 0.326176 0.148298 Te\n0.673824 0.822122 0.495946 Te\n0.326176 0.177878 0.504054 Te\n0.000000 0.000000 0.000000 Te\n",
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"spacegroup": 87
},
{
"id": "mp-864836",
"created_at": "2022-09-04T14:41:46.659465Z",
"structure_string": "Dy2 Ni12 P7\n1.0\n4.514242 -7.818897 0.000000\n4.514242 7.818897 0.000000\n0.000000 0.000000 3.680337\nDy Ni P\n2 12 7\ndirect\n0.666667 0.333333 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.714440 0.097052 0.500000 Ni\n0.902948 0.617388 0.500000 Ni\n0.382612 0.285560 0.500000 Ni\n0.768535 0.726529 0.000000 Ni\n0.273471 0.042006 0.000000 Ni\n0.957994 0.231465 0.000000 Ni\n0.549672 0.761311 0.500000 Ni\n0.238689 0.788361 0.500000 Ni\n0.211639 0.450328 0.500000 Ni\n0.484990 0.941364 0.000000 Ni\n0.058636 0.543626 0.000000 Ni\n0.456374 0.515010 0.000000 Ni\n0.443778 0.072118 0.500000 P\n0.927882 0.371660 0.500000 P\n0.628340 0.556222 0.500000 P\n0.333333 0.666667 0.000000 P\n0.739531 0.958927 0.000000 P\n0.041073 0.780604 0.000000 P\n0.219396 0.260469 0.000000 P\n",
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"volume": 259.8052439497424,
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{
"id": "mp-1199239",
"created_at": "2022-09-04T14:41:46.677268Z",
"structure_string": "Cu4 P8 H28 C8 N4 O24\n1.0\n7.505136 0.000000 0.000000\n0.000000 8.949067 0.000000\n0.000000 7.556166 11.257071\nCu P H C N O\n4 8 28 8 4 24\ndirect\n0.701809 0.022937 0.525410 Cu\n0.798191 0.022937 0.025410 Cu\n0.298191 0.977063 0.474590 Cu\n0.201809 0.977063 0.974590 Cu\n0.018232 0.998094 0.663368 P\n0.481768 0.998094 0.163368 P\n0.981768 0.001906 0.336632 P\n0.518232 0.001906 0.836632 P\n0.505736 0.374974 0.356972 P\n0.994264 0.374974 0.856972 P\n0.494264 0.625026 0.643028 P\n0.005736 0.625026 0.143028 P\n0.898896 0.288016 0.406208 H\n0.601104 0.288016 0.906208 H\n0.101104 0.711984 0.593792 H\n0.398896 0.711984 0.093792 H\n0.891559 0.963085 0.823985 H\n0.608441 0.963085 0.323985 H\n0.108441 0.036915 0.176015 H\n0.391559 0.036915 0.676015 H\n0.223228 0.492207 0.329222 H\n0.276772 0.492207 0.829222 H\n0.776772 0.507793 0.670778 H\n0.723228 0.507793 0.170778 H\n0.046645 0.326095 0.537905 H\n0.453355 0.326095 0.037905 H\n0.953355 0.673905 0.462095 H\n0.546645 0.673905 0.962095 H\n0.856211 0.253069 0.633255 H\n0.643789 0.253069 0.133255 H\n0.143789 0.746931 0.366745 H\n0.356211 0.746931 0.866745 H\n0.630369 0.398502 0.511366 H\n0.869631 0.398502 0.011366 H\n0.369631 0.601498 0.488634 H\n0.130369 0.601498 0.988634 H\n0.750248 0.537393 0.375316 H\n0.749752 0.537393 0.875316 H\n0.249752 0.462607 0.624684 H\n0.250248 0.462607 0.124684 H\n0.934294 0.231274 0.573722 C\n0.565706 0.231274 0.073722 C\n0.065706 0.768726 0.426278 C\n0.434294 0.768726 0.926278 C\n0.686507 0.405569 0.434066 C\n0.813493 0.405569 0.934066 C\n0.313493 0.594431 0.565934 C\n0.186507 0.594431 0.065934 C\n0.818115 0.257443 0.476706 N\n0.681885 0.257443 0.976706 N\n0.181885 0.742557 0.523294 N\n0.318115 0.742557 0.023294 N\n0.889267 0.887344 0.639310 O\n0.610733 0.887344 0.139310 O\n0.110733 0.112656 0.360690 O\n0.389267 0.112656 0.860690 O\n0.009301 0.939130 0.797488 O\n0.490699 0.939130 0.297488 O\n0.990699 0.060870 0.202512 O\n0.509301 0.060870 0.702512 O\n0.211740 0.985730 0.636287 O\n0.288260 0.985730 0.136287 O\n0.788260 0.014270 0.363713 O\n0.711740 0.014270 0.863713 O\n0.486234 0.163902 0.431394 O\n0.013766 0.163902 0.931394 O\n0.513766 0.836098 0.568606 O\n0.986234 0.836098 0.068606 O\n0.341050 0.460548 0.378601 O\n0.158950 0.460548 0.878601 O\n0.658950 0.539452 0.621399 O\n0.841050 0.539452 0.121399 O\n0.546740 0.459788 0.226698 O\n0.953260 0.459788 0.726698 O\n0.453260 0.540212 0.773302 O\n0.046740 0.540212 0.273302 O\n",
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"formula_full": "Cu4 P8 H28 C8 N4 O24",
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{
"id": "mp-1103459",
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"structure_string": "Np4 Re8\n1.0\n-2.553378 -4.495266 0.000000\n-2.553378 4.495266 0.000000\n0.000000 0.000000 -9.400734\nNp Re\n4 8\ndirect\n0.669020 0.330980 0.552647 Np\n0.330980 0.669020 0.447353 Np\n0.330980 0.669020 0.052647 Np\n0.669020 0.330980 0.947353 Np\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.169851 0.336986 0.750000 Re\n0.169067 0.830933 0.750000 Re\n0.663014 0.830149 0.750000 Re\n0.830149 0.663014 0.250000 Re\n0.830933 0.169067 0.250000 Re\n0.336986 0.169851 0.250000 Re\n",
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{
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{
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{
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},
{
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"structure_string": "Zn1 As2 C6 S12 N12 O6 F12\n1.0\n6.069202 -10.512167 0.000000\n6.069202 10.512167 0.000000\n0.000000 0.000000 6.862646\nZn As C S N O F\n1 2 6 12 12 6 12\ndirect\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.542788 As\n0.333333 0.666667 0.457212 As\n0.242930 0.083178 0.756777 C\n0.757070 0.916822 0.243223 C\n0.159752 0.242930 0.243223 C\n0.083178 0.840248 0.243223 C\n0.916822 0.159752 0.756777 C\n0.840248 0.757070 0.756777 C\n0.308433 0.399839 0.004062 S\n0.399839 0.091406 0.995938 S\n0.299511 0.981255 0.656182 S\n0.318255 0.299511 0.343818 S\n0.091406 0.691567 0.004062 S\n0.981255 0.681745 0.343818 S\n0.018745 0.318255 0.656182 S\n0.908594 0.308433 0.995938 S\n0.700489 0.018745 0.343818 S\n0.681745 0.700489 0.656182 S\n0.600161 0.908594 0.004062 S\n0.691567 0.600161 0.995938 S\n0.601417 0.602322 0.829442 N\n0.167740 0.301303 0.071416 N\n0.832260 0.698697 0.928584 N\n0.398583 0.397678 0.170558 N\n0.866437 0.167740 0.928584 N\n0.133563 0.832260 0.071416 N\n0.602322 0.000905 0.170558 N\n0.301303 0.133563 0.928584 N\n0.698697 0.866437 0.071416 N\n0.999095 0.601417 0.170558 N\n0.000905 0.398583 0.829442 N\n0.397678 0.999095 0.829442 N\n0.894733 0.058655 0.674404 O\n0.105267 0.941345 0.325596 O\n0.058655 0.163923 0.325596 O\n0.836077 0.894733 0.325596 O\n0.941345 0.836077 0.674404 O\n0.163923 0.105267 0.674404 O\n0.446843 0.791717 0.605875 F\n0.655125 0.446843 0.394125 F\n0.541185 0.320352 0.692959 F\n0.208283 0.655125 0.605875 F\n0.679648 0.220832 0.692959 F\n0.458815 0.679648 0.307041 F\n0.220832 0.541185 0.307041 F\n0.553157 0.208283 0.394125 F\n0.779168 0.458815 0.692959 F\n0.320352 0.779168 0.307041 F\n0.791717 0.344875 0.394125 F\n0.344875 0.553157 0.605875 F\n",
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"updated_at": "2021-11-28T01:35:20.487000Z",
"spacegroup": 147
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{
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"structure_string": "Dy3 Al3 Cu3\n1.0\n3.517744 -6.092911 0.000000\n3.517744 6.092911 0.000000\n0.000000 0.000000 4.050186\nDy Al Cu\n3 3 3\ndirect\n0.000000 0.413469 0.500000 Dy\n0.586531 0.586531 0.500000 Dy\n0.413469 0.000000 0.500000 Dy\n0.000000 0.764349 0.000000 Al\n0.235651 0.235651 0.000000 Al\n0.764349 0.000000 0.000000 Al\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n",
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"formula_full": "Dy3 Al3 Cu3",
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}