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{
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{
"id": "mp-1225331",
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"structure_string": "Dy4 Cd1 Se7\n1.0\n2.000227 6.657524 0.000000\n-2.000227 6.657524 0.000000\n0.000000 3.144214 11.751206\nDy Cd Se\n4 1 7\ndirect\n0.693960 0.693960 0.199069 Dy\n0.306683 0.306683 0.803766 Dy\n0.000022 0.000022 0.002450 Dy\n0.115074 0.115074 0.571435 Dy\n0.883970 0.883970 0.421604 Cd\n0.742419 0.742419 0.646949 Se\n0.258530 0.258530 0.351182 Se\n0.339483 0.339483 0.049238 Se\n0.660659 0.660659 0.948782 Se\n0.037639 0.037639 0.218261 Se\n0.961893 0.961893 0.785289 Se\n0.499667 0.499667 0.501975 Se\n",
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{
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"structure_string": "Li1 Hf1 Pd2\n1.0\n0.000000 3.197323 3.197323\n3.197323 0.000000 3.197323\n3.197323 3.197323 0.000000\nLi Hf Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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{
"id": "mp-771106",
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"structure_string": "Dy4 P12 O36\n1.0\n9.796236 0.000000 0.000000\n0.000000 7.063958 0.000000\n0.000000 0.357046 11.087539\nDy P O\n4 12 36\ndirect\n0.250000 0.811140 0.018080 Dy\n0.250000 0.672316 0.536702 Dy\n0.750000 0.327684 0.463298 Dy\n0.750000 0.188860 0.981920 Dy\n0.466016 0.826657 0.283887 P\n0.033984 0.826657 0.283887 P\n0.750000 0.815689 0.373876 P\n0.490158 0.766453 0.767644 P\n0.009842 0.766453 0.767644 P\n0.750000 0.678165 0.896769 P\n0.250000 0.321835 0.103231 P\n0.990158 0.233547 0.232356 P\n0.509842 0.233547 0.232356 P\n0.250000 0.184311 0.626124 P\n0.966016 0.173343 0.716113 P\n0.533984 0.173343 0.716113 P\n0.250000 0.989366 0.576141 O\n0.948859 0.949223 0.694424 O\n0.551141 0.949223 0.694424 O\n0.750000 0.874079 0.945075 O\n0.415891 0.827751 0.878195 O\n0.084109 0.827751 0.878195 O\n0.871864 0.796099 0.277169 O\n0.628136 0.796099 0.277169 O\n0.089730 0.779746 0.163104 O\n0.410270 0.779746 0.163104 O\n0.408614 0.728314 0.394548 O\n0.091386 0.728314 0.394548 O\n0.874575 0.650908 0.803451 O\n0.625425 0.650908 0.803451 O\n0.414374 0.649167 0.679335 O\n0.085626 0.649167 0.679335 O\n0.750000 0.648376 0.461140 O\n0.750000 0.511067 0.983547 O\n0.250000 0.488933 0.016453 O\n0.250000 0.351624 0.538860 O\n0.914374 0.350833 0.320665 O\n0.585626 0.350833 0.320665 O\n0.374575 0.349092 0.196549 O\n0.125425 0.349092 0.196549 O\n0.908614 0.271686 0.605452 O\n0.591386 0.271686 0.605452 O\n0.910270 0.220254 0.836896 O\n0.589730 0.220254 0.836896 O\n0.371864 0.203901 0.722831 O\n0.128136 0.203901 0.722831 O\n0.915891 0.172249 0.121805 O\n0.584109 0.172249 0.121805 O\n0.250000 0.125921 0.054925 O\n0.448859 0.050777 0.305576 O\n0.051141 0.050777 0.305576 O\n0.750000 0.010634 0.423859 O\n",
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"spacegroup": 11
},
{
"id": "mp-777071",
"created_at": "2022-09-04T14:41:25.325817Z",
"structure_string": "Li24 Sb8 P16 O64\n1.0\n5.249133 0.000000 0.000000\n0.000000 12.946905 0.000000\n0.000000 6.329333 18.545791\nLi Sb P O\n24 8 16 64\ndirect\n0.763875 0.680713 0.961961 Li\n0.294578 0.793676 0.872185 Li\n0.702553 0.943345 0.806634 Li\n0.736125 0.180713 0.961961 Li\n0.205422 0.293676 0.872185 Li\n0.797447 0.443345 0.806634 Li\n0.211264 0.751885 0.691635 Li\n0.794300 0.671416 0.627373 Li\n0.288736 0.251885 0.691635 Li\n0.264965 0.641567 0.541270 Li\n0.705700 0.171416 0.627373 Li\n0.764965 0.858433 0.458730 Li\n0.235035 0.141567 0.541270 Li\n0.294300 0.828584 0.372627 Li\n0.735035 0.358433 0.458730 Li\n0.711264 0.748115 0.308365 Li\n0.205700 0.328584 0.372627 Li\n0.788736 0.248115 0.308365 Li\n0.202553 0.556655 0.193366 Li\n0.794578 0.706324 0.127815 Li\n0.263875 0.819287 0.038039 Li\n0.297447 0.056655 0.193366 Li\n0.705422 0.206324 0.127815 Li\n0.236125 0.319287 0.038039 Li\n0.314978 0.538912 0.874876 Sb\n0.185022 0.038912 0.874876 Sb\n0.686306 0.914183 0.624456 Sb\n0.813694 0.414183 0.624456 Sb\n0.186306 0.585817 0.375544 Sb\n0.313694 0.085817 0.375544 Sb\n0.814978 0.961088 0.125124 Sb\n0.685022 0.461088 0.125124 Sb\n0.725716 0.914632 0.959590 P\n0.774284 0.414632 0.959590 P\n0.784208 0.712912 0.790353 P\n0.715792 0.212912 0.790353 P\n0.287303 0.501455 0.709107 P\n0.224966 0.876832 0.538222 P\n0.212697 0.001455 0.709107 P\n0.275034 0.376832 0.538222 P\n0.724966 0.623168 0.461778 P\n0.787303 0.998545 0.290893 P\n0.775034 0.123168 0.461778 P\n0.712697 0.498545 0.290893 P\n0.284208 0.787088 0.209647 P\n0.215792 0.287088 0.209647 P\n0.225716 0.585368 0.040410 P\n0.274284 0.085368 0.040410 P\n0.474598 0.906382 0.918451 O\n0.952385 0.899403 0.908581 O\n0.234402 0.684696 0.971703 O\n0.743358 0.526988 0.968656 O\n0.298109 0.979725 0.790644 O\n0.647484 0.776190 0.833419 O\n0.025402 0.406382 0.918451 O\n0.547615 0.399403 0.908581 O\n0.265598 0.184696 0.971703 O\n0.077750 0.713458 0.799126 O\n0.756642 0.026988 0.968656 O\n0.680729 0.593624 0.812344 O\n0.919011 0.996848 0.706626 O\n0.328252 0.904346 0.688738 O\n0.201891 0.479725 0.790644 O\n0.852516 0.276190 0.833419 O\n0.729556 0.760963 0.705936 O\n0.422250 0.213458 0.799126 O\n0.819271 0.093624 0.812344 O\n0.580989 0.496848 0.706626 O\n0.170984 0.610013 0.661194 O\n0.171748 0.404346 0.688738 O\n0.987557 0.823994 0.585719 O\n0.461695 0.813448 0.583795 O\n0.770444 0.260963 0.705936 O\n0.252239 0.997937 0.529648 O\n0.715101 0.653315 0.531210 O\n0.329016 0.110013 0.661194 O\n0.215101 0.846685 0.468790 O\n0.512443 0.323994 0.585719 O\n0.038305 0.313448 0.583795 O\n0.247761 0.497937 0.529648 O\n0.752239 0.502063 0.470352 O\n0.961695 0.686552 0.416205 O\n0.487557 0.676006 0.414281 O\n0.784899 0.153315 0.531210 O\n0.670984 0.889987 0.338806 O\n0.284899 0.346685 0.468790 O\n0.747761 0.002063 0.470352 O\n0.229556 0.739037 0.294064 O\n0.538305 0.186552 0.416205 O\n0.012443 0.176006 0.414281 O\n0.828252 0.595654 0.311262 O\n0.829016 0.389987 0.338806 O\n0.419011 0.503152 0.293374 O\n0.180729 0.906376 0.187656 O\n0.577750 0.786542 0.200874 O\n0.270444 0.239037 0.294064 O\n0.147484 0.723810 0.166581 O\n0.798109 0.520275 0.209356 O\n0.671748 0.095654 0.311262 O\n0.080989 0.003152 0.293374 O\n0.319271 0.406376 0.187656 O\n0.243358 0.973012 0.031344 O\n0.922250 0.286542 0.200874 O\n0.734402 0.815304 0.028297 O\n0.452385 0.600597 0.091419 O\n0.974598 0.593618 0.081549 O\n0.352516 0.223810 0.166581 O\n0.701891 0.020275 0.209356 O\n0.256642 0.473012 0.031344 O\n0.765598 0.315304 0.028297 O\n0.047615 0.100597 0.091419 O\n0.525402 0.093618 0.081549 O\n",
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"formula_full": "Li24 Sb8 P16 O64",
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{
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"structure_string": "Rb2 Mg2 Ni2 F12\n1.0\n-3.616429 3.685831 5.144095\n3.616429 -3.685831 5.144095\n3.616429 3.685831 -5.144095\nRb Mg Ni F\n2 2 2 12\ndirect\n0.872298 0.622298 0.250000 Rb\n0.127702 0.377702 0.750000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.819634 0.069634 0.750000 F\n0.427781 0.677781 0.750000 F\n0.827466 0.689995 0.761449 F\n0.428546 0.066017 0.738551 F\n0.827466 0.066017 0.137471 F\n0.428546 0.689995 0.362529 F\n0.180366 0.930366 0.250000 F\n0.572219 0.322219 0.250000 F\n0.172534 0.310005 0.238551 F\n0.571454 0.933983 0.261449 F\n0.172534 0.933983 0.862529 F\n0.571454 0.310005 0.637471 F\n",
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{
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{
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"structure_string": "Hf4 Al2\n1.0\n-3.427001 3.427001 2.610960\n3.427001 -3.427001 2.610960\n3.427001 3.427001 -2.610960\nHf Al\n4 2\ndirect\n0.651163 0.848837 0.500000 Hf\n0.848837 0.348837 0.197674 Hf\n0.348837 0.151163 0.500000 Hf\n0.151163 0.651163 0.802326 Hf\n0.750000 0.750000 0.000000 Al\n0.250000 0.250000 0.000000 Al\n",
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{
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"structure_string": "Li2 Cr3 Fe1 O8\n1.0\n5.119994 -2.969412 0.000000\n5.119994 2.969412 0.000000\n3.397843 0.000000 4.846278\nLi Cr Fe O\n2 3 1 8\ndirect\n0.875314 0.875314 0.875314 Li\n0.124686 0.124686 0.124686 Li\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Fe\n0.732569 0.732569 0.732569 O\n0.738548 0.738548 0.286870 O\n0.738548 0.286870 0.738548 O\n0.286870 0.738548 0.738548 O\n0.713130 0.261452 0.261452 O\n0.261452 0.713130 0.261452 O\n0.261452 0.261452 0.713130 O\n0.267431 0.267431 0.267431 O\n",
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{
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{
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"structure_string": "Rb4 Sb8 F28\n1.0\n6.607564 0.000000 0.000000\n0.000000 9.072696 0.000000\n0.000000 2.729143 12.748759\nRb Sb F\n4 8 28\ndirect\n0.236080 0.075575 0.111535 Rb\n0.263920 0.575575 0.111535 Rb\n0.736080 0.424425 0.888465 Rb\n0.763920 0.924425 0.888465 Rb\n0.761192 0.282219 0.214247 Sb\n0.261192 0.217781 0.785753 Sb\n0.238808 0.717781 0.785753 Sb\n0.738808 0.782219 0.214247 Sb\n0.703637 0.835422 0.584770 Sb\n0.796363 0.335422 0.584770 Sb\n0.296363 0.164578 0.415230 Sb\n0.203637 0.664578 0.415230 Sb\n0.426483 0.835310 0.503864 F\n0.382665 0.371190 0.352207 F\n0.798869 0.084252 0.173433 F\n0.882665 0.128810 0.647793 F\n0.041003 0.180014 0.895893 F\n0.446788 0.137896 0.904471 F\n0.458997 0.680014 0.895893 F\n0.079658 0.212516 0.287628 F\n0.553212 0.862104 0.095529 F\n0.053212 0.637896 0.904471 F\n0.617335 0.628810 0.647793 F\n0.420342 0.712516 0.287628 F\n0.958997 0.819986 0.104107 F\n0.073517 0.335310 0.503864 F\n0.530183 0.897393 0.695901 F\n0.946788 0.362104 0.095529 F\n0.541003 0.319986 0.104107 F\n0.298869 0.415748 0.826567 F\n0.030183 0.602607 0.304099 F\n0.201131 0.915748 0.826567 F\n0.469817 0.102607 0.304099 F\n0.969817 0.397393 0.695901 F\n0.117335 0.871190 0.352207 F\n0.579658 0.287484 0.712372 F\n0.573517 0.164690 0.496136 F\n0.701131 0.584252 0.173433 F\n0.926483 0.664690 0.496136 F\n0.920342 0.787484 0.712372 F\n",
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"formula_full": "Rb4 Sb8 F28",
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},
{
"id": "mp-567933",
"created_at": "2022-09-04T14:41:25.233235Z",
"structure_string": "Fe2 C2 N4\n1.0\n1.582177 -2.740411 0.000000\n1.582177 2.740411 0.000000\n0.000000 0.000000 9.701809\nFe C N\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.750000 C\n0.666667 0.333333 0.250000 C\n0.666667 0.333333 0.122578 N\n0.333333 0.666667 0.622578 N\n0.333333 0.666667 0.877422 N\n0.666667 0.333333 0.377422 N\n",
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"elements": [
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],
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"density": 3.784462954606964,
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"volume": 84.13050292168347,
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"formula_full": "Fe2 C2 N4",
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{
"id": "mp-1219835",
"created_at": "2022-09-04T14:41:25.241129Z",
"structure_string": "Rb8 Sn42 Hg4\n1.0\n8.823879 -8.824780 0.000000\n8.823879 8.824780 0.000000\n0.000000 0.000000 12.484600\nRb Sn Hg\n8 42 4\ndirect\n0.499760 0.999687 0.250000 Rb\n0.000313 0.500240 0.750000 Rb\n0.000762 0.999238 0.500000 Rb\n0.749011 0.500806 0.250000 Rb\n0.499194 0.250989 0.750000 Rb\n0.000762 0.999238 0.000000 Rb\n0.250927 0.500788 0.250000 Rb\n0.499212 0.749073 0.750000 Rb\n0.616612 0.999933 0.558046 Sn\n0.808484 0.115980 0.250000 Sn\n0.500036 0.312177 0.367687 Sn\n0.380287 0.000059 0.936477 Sn\n0.186447 0.880516 0.250000 Sn\n0.500020 0.687715 0.132011 Sn\n0.191678 0.116475 0.250000 Sn\n0.500036 0.312177 0.132313 Sn\n0.813707 0.880896 0.250000 Sn\n0.500020 0.687715 0.367989 Sn\n0.380287 0.000059 0.563523 Sn\n0.616612 0.999933 0.941954 Sn\n0.687823 0.499964 0.632313 Sn\n0.999941 0.619713 0.436477 Sn\n0.883525 0.808322 0.750000 Sn\n0.312285 0.499980 0.867989 Sn\n0.000067 0.383388 0.058046 Sn\n0.119104 0.186293 0.750000 Sn\n0.999941 0.619713 0.063523 Sn\n0.119484 0.813553 0.750000 Sn\n0.000067 0.383388 0.441954 Sn\n0.884020 0.191516 0.750000 Sn\n0.687823 0.499964 0.867687 Sn\n0.312285 0.499980 0.632011 Sn\n0.683232 0.184085 0.433317 Sn\n0.317645 0.817739 0.067624 Sn\n0.317629 0.183150 0.066652 Sn\n0.683191 0.816835 0.432395 Sn\n0.317645 0.817739 0.432376 Sn\n0.683232 0.184085 0.066683 Sn\n0.683191 0.816835 0.067605 Sn\n0.317629 0.183150 0.433348 Sn\n0.816850 0.682371 0.566652 Sn\n0.183165 0.316809 0.932395 Sn\n0.182261 0.682355 0.932376 Sn\n0.815915 0.316768 0.566683 Sn\n0.815915 0.316768 0.933317 Sn\n0.182261 0.682355 0.567624 Sn\n0.183165 0.316809 0.567605 Sn\n0.816850 0.682371 0.933348 Sn\n0.749950 0.000217 0.750000 Sn\n0.999783 0.250050 0.250000 Sn\n0.500038 0.499962 0.500000 Hg\n0.249942 0.000057 0.750000 Hg\n0.999943 0.750058 0.250000 Hg\n0.500038 0.499962 0.000000 Hg\n",
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"spacegroup": 40
}
]
}