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{
"id": "mp-625172",
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{
"id": "mp-30369",
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"structure_string": "Ca56 Au24\n1.0\n6.726502 0.000000 0.000000\n0.000000 18.107140 0.000000\n0.000000 0.000000 20.812552\nCa Au\n56 24\ndirect\n0.043268 0.814592 0.216824 Ca\n0.543268 0.185408 0.283176 Ca\n0.456732 0.314592 0.783176 Ca\n0.956732 0.685408 0.716824 Ca\n0.956732 0.185408 0.783176 Ca\n0.456732 0.814592 0.716824 Ca\n0.543268 0.685408 0.216824 Ca\n0.043268 0.314592 0.283176 Ca\n0.052241 0.811162 0.029962 Ca\n0.552241 0.188838 0.470038 Ca\n0.447759 0.311162 0.970038 Ca\n0.947759 0.688838 0.529962 Ca\n0.947759 0.188838 0.970038 Ca\n0.447759 0.811162 0.529962 Ca\n0.552241 0.688838 0.029962 Ca\n0.052241 0.311162 0.470038 Ca\n0.544690 0.874881 0.124908 Ca\n0.044690 0.125119 0.375092 Ca\n0.955310 0.374881 0.875092 Ca\n0.455310 0.625119 0.624908 Ca\n0.455310 0.125119 0.875092 Ca\n0.955310 0.874881 0.624908 Ca\n0.044690 0.625119 0.124908 Ca\n0.544690 0.374881 0.375092 Ca\n0.751839 0.788733 0.373894 Ca\n0.251839 0.211267 0.126106 Ca\n0.748161 0.288733 0.626106 Ca\n0.248161 0.711267 0.873894 Ca\n0.248161 0.211267 0.626106 Ca\n0.748161 0.788733 0.873894 Ca\n0.251839 0.711267 0.373894 Ca\n0.751839 0.288733 0.126106 Ca\n0.730183 0.978915 0.282693 Ca\n0.230183 0.021085 0.217307 Ca\n0.769817 0.478915 0.717307 Ca\n0.269817 0.521085 0.782693 Ca\n0.269817 0.021085 0.717307 Ca\n0.769817 0.978915 0.782693 Ca\n0.230183 0.521085 0.282693 Ca\n0.730183 0.478915 0.217307 Ca\n0.749139 0.979170 0.472063 Ca\n0.249139 0.020830 0.027937 Ca\n0.750861 0.479170 0.527937 Ca\n0.250861 0.520830 0.972063 Ca\n0.250861 0.020830 0.527937 Ca\n0.750861 0.979170 0.972063 Ca\n0.249139 0.520830 0.472063 Ca\n0.749139 0.479170 0.027937 Ca\n0.245573 0.917158 0.372973 Ca\n0.745573 0.082842 0.127027 Ca\n0.254427 0.417158 0.627027 Ca\n0.754427 0.582842 0.872973 Ca\n0.754427 0.082842 0.627027 Ca\n0.254427 0.917158 0.872973 Ca\n0.745573 0.582842 0.372973 Ca\n0.245573 0.417158 0.127027 Ca\n0.967138 0.939733 0.119306 Au\n0.467138 0.060267 0.380694 Au\n0.532862 0.439733 0.880694 Au\n0.032862 0.560267 0.619306 Au\n0.032862 0.060267 0.880694 Au\n0.532862 0.939733 0.619306 Au\n0.467138 0.560267 0.119306 Au\n0.967138 0.439733 0.380694 Au\n0.468961 0.840842 0.267742 Au\n0.968961 0.159158 0.232258 Au\n0.031039 0.340842 0.732258 Au\n0.531039 0.659158 0.767742 Au\n0.531039 0.159158 0.732258 Au\n0.031039 0.840842 0.767742 Au\n0.968961 0.659158 0.267742 Au\n0.468961 0.340842 0.232258 Au\n0.027866 0.845273 0.480791 Au\n0.527866 0.154727 0.019209 Au\n0.472134 0.345273 0.519209 Au\n0.972134 0.654727 0.980791 Au\n0.972134 0.154727 0.519209 Au\n0.472134 0.845273 0.980791 Au\n0.527866 0.654727 0.480791 Au\n0.027866 0.345273 0.019209 Au\n",
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"density": 4.56683108163218,
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"volume": 2534.9212441239256,
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{
"id": "mp-28727",
"created_at": "2022-09-04T14:44:28.995048Z",
"structure_string": "La16 Bi8 S36\n1.0\n4.045865 0.000000 0.000000\n0.000000 12.993450 0.000000\n0.000000 0.000000 28.589467\nLa Bi S\n16 8 36\ndirect\n0.250000 0.077127 0.806404 La\n0.750000 0.922873 0.193596 La\n0.750000 0.577127 0.693596 La\n0.250000 0.422873 0.306404 La\n0.250000 0.743024 0.053018 La\n0.750000 0.256976 0.946982 La\n0.750000 0.243024 0.446982 La\n0.250000 0.756976 0.553018 La\n0.250000 0.739911 0.821459 La\n0.750000 0.260089 0.178541 La\n0.750000 0.239911 0.678541 La\n0.250000 0.760089 0.321459 La\n0.250000 0.895664 0.687046 La\n0.750000 0.104336 0.312954 La\n0.750000 0.395665 0.812954 La\n0.250000 0.604336 0.187046 La\n0.250000 0.559420 0.934866 Bi\n0.750000 0.440580 0.065134 Bi\n0.750000 0.059420 0.565134 Bi\n0.250000 0.940580 0.434866 Bi\n0.250000 0.426980 0.559525 Bi\n0.750000 0.573020 0.440475 Bi\n0.750000 0.926980 0.940475 Bi\n0.250000 0.073020 0.059525 Bi\n0.250000 0.687141 0.648101 S\n0.750000 0.312859 0.351899 S\n0.750000 0.187141 0.851899 S\n0.250000 0.812859 0.148101 S\n0.250000 0.273334 0.754287 S\n0.750000 0.726666 0.245713 S\n0.750000 0.773334 0.745713 S\n0.250000 0.226666 0.254287 S\n0.250000 0.409693 0.656188 S\n0.750000 0.590307 0.343812 S\n0.750000 0.909693 0.843812 S\n0.250000 0.090307 0.156188 S\n0.250000 0.375934 0.887065 S\n0.750000 0.624066 0.112935 S\n0.250000 0.096464 0.957095 S\n0.750000 0.875934 0.612935 S\n0.250000 0.539291 0.768810 S\n0.750000 0.460709 0.231190 S\n0.750000 0.039291 0.731190 S\n0.250000 0.960709 0.268810 S\n0.250000 0.710632 0.441786 S\n0.750000 0.289368 0.558214 S\n0.750000 0.210632 0.058214 S\n0.250000 0.789368 0.941786 S\n0.250000 0.112234 0.497151 S\n0.750000 0.887766 0.502849 S\n0.750000 0.612234 0.002849 S\n0.250000 0.387766 0.997151 S\n0.250000 0.394996 0.134000 S\n0.750000 0.605004 0.866000 S\n0.750000 0.894996 0.366000 S\n0.250000 0.105004 0.634000 S\n0.250000 0.403536 0.457095 S\n0.750000 0.596464 0.542905 S\n0.750000 0.903536 0.042905 S\n0.250000 0.124066 0.387065 S\n",
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"Bi",
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],
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"volume": 1502.940977989844,
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"formula_full": "La16 Bi8 S36",
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"spacegroup": 62
},
{
"id": "mp-1095903",
"created_at": "2022-09-04T14:44:29.015555Z",
"structure_string": "Li1 Ag2 Au1\n1.0\n-5.236138 5.574972 7.872400\n5.236138 -5.574972 7.872400\n5.236138 5.574972 -7.872400\nLi Ag Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.248844 0.248844 Ag\n0.000000 0.751156 0.751156 Ag\n0.000000 0.500000 0.500000 Au\n",
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{
"id": "mp-23366",
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"structure_string": "Rb8 Co4 Br16\n1.0\n7.736086 0.000000 0.000000\n0.000000 9.892005 0.000000\n0.000000 0.000000 13.621552\nRb Co Br\n8 4 16\ndirect\n0.250000 0.626381 0.591841 Rb\n0.750000 0.373619 0.408159 Rb\n0.250000 0.126381 0.908159 Rb\n0.750000 0.873619 0.091841 Rb\n0.250000 0.985401 0.328737 Rb\n0.750000 0.014599 0.671263 Rb\n0.250000 0.485401 0.171263 Rb\n0.750000 0.514599 0.828737 Rb\n0.250000 0.726735 0.923474 Co\n0.250000 0.226735 0.576526 Co\n0.750000 0.773265 0.423474 Co\n0.750000 0.273265 0.076526 Co\n0.998703 0.316371 0.655584 Br\n0.498703 0.683629 0.344416 Br\n0.501297 0.816371 0.844416 Br\n0.001297 0.183629 0.155584 Br\n0.998703 0.816371 0.844416 Br\n0.001297 0.683629 0.344416 Br\n0.498703 0.183629 0.155584 Br\n0.501297 0.316371 0.655584 Br\n0.750000 0.514853 0.086734 Br\n0.250000 0.485147 0.913266 Br\n0.750000 0.014853 0.413266 Br\n0.250000 0.985147 0.586734 Br\n0.750000 0.180889 0.913042 Br\n0.250000 0.819111 0.086958 Br\n0.750000 0.680889 0.586958 Br\n0.250000 0.319111 0.413042 Br\n",
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{
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"formula_full": "Np1 Si3",
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{
"id": "mp-697945",
"created_at": "2022-09-04T14:44:29.471880Z",
"structure_string": "K4 Cd2 H8 Se4 O20\n1.0\n6.708586 0.000000 0.000000\n2.628023 7.237314 0.000000\n3.104592 2.652279 10.847677\nK Cd H Se O\n4 2 8 4 20\ndirect\n0.797986 0.747795 0.401119 K\n0.202014 0.252205 0.598881 K\n0.729754 0.266713 0.078719 K\n0.270246 0.733287 0.921281 K\n0.751596 0.973582 0.748696 Cd\n0.248404 0.026418 0.251304 Cd\n0.698402 0.360875 0.657032 H\n0.301598 0.639125 0.342968 H\n0.663035 0.311396 0.801700 H\n0.336965 0.688604 0.198300 H\n0.647340 0.665700 0.707235 H\n0.352660 0.334300 0.292765 H\n0.831223 0.584660 0.791709 H\n0.168777 0.415340 0.208291 H\n0.737489 0.765284 0.084104 Se\n0.262511 0.234716 0.915896 Se\n0.738923 0.231252 0.424640 Se\n0.261077 0.768748 0.575360 Se\n0.955003 0.603094 0.131302 O\n0.044997 0.396906 0.868698 O\n0.560616 0.663356 0.074063 O\n0.439384 0.336644 0.925937 O\n0.819120 0.905129 0.947952 O\n0.180880 0.094871 0.052048 O\n0.621079 0.906631 0.184822 O\n0.378921 0.093369 0.815178 O\n0.878730 0.349217 0.453644 O\n0.121270 0.650783 0.546356 O\n0.505188 0.375042 0.383846 O\n0.494812 0.624958 0.616154 O\n0.680366 0.060770 0.549344 O\n0.319634 0.939230 0.450656 O\n0.877688 0.120715 0.309292 O\n0.122312 0.879285 0.690708 O\n0.770128 0.280029 0.727166 O\n0.229872 0.719971 0.272834 O\n0.695296 0.683614 0.776076 O\n0.304704 0.316386 0.223924 O\n",
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{
"id": "mp-1220084",
"created_at": "2022-09-04T14:44:29.483308Z",
"structure_string": "Nd2 Ti2 Cd2 Sb2 O14\n1.0\n-3.631506 3.765681 5.167604\n3.631506 -3.765681 5.167604\n3.631506 3.765681 -5.167604\nNd Ti Cd Sb O\n2 2 2 2 14\ndirect\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.927025 0.177025 0.750000 O\n0.326954 0.576954 0.750000 O\n0.935642 0.579006 0.760024 O\n0.318981 0.175618 0.739976 O\n0.935642 0.175618 0.356637 O\n0.318981 0.579006 0.143363 O\n0.072975 0.822975 0.250000 O\n0.673046 0.423046 0.250000 O\n0.064358 0.420994 0.239976 O\n0.681019 0.824382 0.260024 O\n0.064358 0.824382 0.643363 O\n0.681019 0.420994 0.856637 O\n0.618534 0.868534 0.750000 O\n0.381466 0.131466 0.250000 O\n",
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