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{
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"results": [
{
"id": "mp-1028206",
"created_at": "2022-09-04T14:40:01.087398Z",
"structure_string": "K1 Mg14 Al1\n1.0\n6.473090 0.000000 -0.000000\n-3.236545 5.605860 0.000000\n-0.000000 0.000000 10.622411\nK Mg Al\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.163621 0.831810 0.125000 Mg\n0.174867 0.837433 0.625000 Mg\n0.668190 0.336379 0.125000 Mg\n0.662567 0.325133 0.625000 Mg\n0.668190 0.831810 0.125000 Mg\n0.662567 0.837433 0.625000 Mg\n0.336210 0.163790 0.359206 Mg\n0.336210 0.163790 0.890794 Mg\n0.336210 0.672421 0.359206 Mg\n0.336210 0.672421 0.890794 Mg\n0.827579 0.163790 0.359206 Mg\n0.827579 0.163790 0.890794 Mg\n0.833333 0.666667 0.380978 Mg\n0.833333 0.666667 0.869022 Mg\n0.166667 0.333333 0.125000 Al\n",
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"formula_full": "K1 Mg14 Al1",
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},
{
"id": "mp-1023416",
"created_at": "2022-09-04T14:40:39.819174Z",
"structure_string": "K2 Mg12 Al2\n1.0\n5.181593 0.000000 0.000000\n0.000000 6.767230 0.000000\n0.000000 0.000000 11.690395\nK Mg Al\n2 12 2\ndirect\n0.500000 0.500000 0.168095 K\n0.500000 0.000000 0.668095 K\n0.000000 0.229313 0.075259 Mg\n0.000000 0.770687 0.075259 Mg\n0.000000 0.500000 0.833372 Mg\n0.500000 0.236292 0.916874 Mg\n0.500000 0.763708 0.916874 Mg\n0.500000 0.500000 0.663022 Mg\n0.000000 0.729313 0.575259 Mg\n0.000000 0.270687 0.575259 Mg\n0.000000 0.000000 0.333372 Mg\n0.500000 0.736292 0.416874 Mg\n0.500000 0.263708 0.416874 Mg\n0.500000 0.000000 0.163022 Mg\n0.000000 0.500000 0.351244 Al\n0.000000 0.000000 0.851244 Al\n",
"nsites": 16,
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"elements": [
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],
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"volume": 409.9240700609701,
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"formula_full": "K2 Mg12 Al2",
"formula_reduced": "KMg6Al",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:35:05.867000Z",
"spacegroup": 38
},
{
"id": "mp-6450",
"created_at": "2022-09-04T14:47:19.276972Z",
"structure_string": "K4 Li2 Al2 P4\n1.0\n-3.062101 3.081281 7.455956\n3.062101 -3.081281 7.455956\n3.062101 3.081281 -7.455956\nK Li Al P\n4 2 2 4\ndirect\n0.099543 0.826847 0.272696 K\n0.900457 0.173153 0.727304 K\n0.445849 0.673153 0.772696 K\n0.554151 0.326847 0.227304 K\n0.500000 0.250000 0.750000 Li\n0.500000 0.750000 0.250000 Li\n0.000000 0.250000 0.250000 Al\n0.000000 0.750000 0.750000 Al\n0.690583 0.911636 0.778946 P\n0.132690 0.411636 0.721054 P\n0.867310 0.588364 0.278946 P\n0.309417 0.088364 0.221054 P\n",
"nsites": 12,
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"elements": [
"K",
"Li",
"Al",
"P"
],
"chemical_system": "Al-K-Li-P",
"density": 2.0543789227272797,
"density_atomic": 0.04264490006249912,
"volume": 281.39355426822783,
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"formula_full": "K4 Li2 Al2 P4",
"formula_reduced": "K2LiAlP2",
"formula_anonymous": "ABC2D2",
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"updated_at": "2021-11-28T01:38:06.440000Z",
"spacegroup": 72
},
{
"id": "mp-1185277",
"created_at": "2022-09-04T14:41:22.354155Z",
"structure_string": "K8 Li31 Al8 O32\n1.0\n5.632672 0.000000 0.000000\n-1.924397 10.584660 0.000000\n-0.012308 -0.053351 15.311243\nK Li Al O\n8 31 8 32\ndirect\n0.118259 0.161060 0.065422 K\n0.634137 0.228429 0.200226 K\n0.875166 0.272543 0.704055 K\n0.385169 0.351049 0.589414 K\n0.622384 0.656104 0.435725 K\n0.135916 0.725704 0.299556 K\n0.359161 0.765310 0.797995 K\n0.875672 0.835377 0.931657 K\n0.481912 0.001437 0.655712 Li\n0.391929 0.017459 0.930506 Li\n0.125762 0.021701 0.235847 Li\n0.982387 0.042064 0.578188 Li\n0.387086 0.080590 0.484774 Li\n0.797844 0.126887 0.882059 Li\n0.913419 0.128621 0.339833 Li\n0.318356 0.230653 0.379572 Li\n0.184601 0.271184 0.873884 Li\n0.698937 0.370637 0.383180 Li\n0.579417 0.385685 0.829662 Li\n0.110084 0.423013 0.979113 Li\n0.517933 0.457155 0.076399 Li\n0.113225 0.476186 0.431613 Li\n0.017511 0.494286 0.152921 Li\n0.001629 0.505431 0.836942 Li\n0.624943 0.520199 0.264610 Li\n0.900225 0.524768 0.571904 Li\n0.480037 0.542996 0.923348 Li\n0.882587 0.576381 0.012580 Li\n0.299832 0.626626 0.621407 Li\n0.412507 0.626074 0.161568 Li\n0.817494 0.725941 0.124041 Li\n0.681976 0.777028 0.620942 Li\n0.085383 0.869622 0.660129 Li\n0.198912 0.869834 0.118558 Li\n0.616659 0.925251 0.514759 Li\n0.021951 0.959651 0.422570 Li\n0.867970 0.974754 0.765395 Li\n0.608368 0.979242 0.070925 Li\n0.518688 0.997876 0.344577 Li\n0.309247 0.109876 0.777263 Al\n0.819720 0.204771 0.487033 Al\n0.677524 0.298330 0.979699 Al\n0.189149 0.378564 0.272880 Al\n0.794089 0.623487 0.724838 Al\n0.318936 0.702473 0.015866 Al\n0.182356 0.797346 0.514327 Al\n0.689867 0.879136 0.227028 Al\n0.569856 0.037806 0.792112 O\n0.147695 0.042472 0.684358 O\n0.111282 0.075317 0.869457 O\n0.665443 0.100350 0.567343 O\n0.630585 0.134993 0.003067 O\n0.088981 0.141725 0.465856 O\n0.626116 0.176877 0.392183 O\n0.143391 0.210114 0.261057 O\n0.367796 0.274306 0.763288 O\n0.872946 0.323935 0.885604 O\n0.407722 0.361410 0.961284 O\n0.866847 0.368048 0.507222 O\n0.834716 0.400060 0.061344 O\n0.384132 0.419845 0.365914 O\n0.922110 0.446975 0.287110 O\n0.348207 0.450776 0.181305 O\n0.049190 0.550679 0.702985 O\n0.675975 0.562639 0.825572 O\n0.624155 0.592955 0.626154 O\n0.167480 0.600746 0.933544 O\n0.134527 0.634620 0.492462 O\n0.587581 0.639557 0.037336 O\n0.124276 0.674716 0.109761 O\n0.642391 0.710658 0.239854 O\n0.849329 0.792420 0.738813 O\n0.373153 0.824461 0.609564 O\n0.913706 0.861441 0.535385 O\n0.367023 0.865801 0.996696 O\n0.337832 0.901995 0.434856 O\n0.883079 0.918403 0.133344 O\n0.425192 0.949659 0.211749 O\n0.849416 0.953697 0.318171 O\n",
"nsites": 79,
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"elements": [
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"O"
],
"chemical_system": "Al-K-Li-O",
"density": 2.284359596894198,
"density_atomic": 0.08654166923839969,
"volume": 912.8550523144595,
"volume_molar": 6.958660276601062,
"formula_full": "K8 Li31 Al8 O32",
"formula_reduced": "K8Li31Al8O32",
"formula_anonymous": "A8B8C31D32",
"energy": -446.76584949,
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"updated_at": "2021-11-28T01:35:17.472000Z",
"spacegroup": 1
},
{
"id": "mp-557268",
"created_at": "2022-09-04T14:48:04.691026Z",
"structure_string": "K8 Li32 Al8 O32\n1.0\n15.598774 0.000000 0.000000\n0.000000 5.601372 0.000000\n0.000000 3.742919 10.500875\nK Li Al O\n8 32 8 32\ndirect\n0.202872 0.405990 0.228342 K\n0.797128 0.594010 0.771658 K\n0.571929 0.048976 0.333730 K\n0.071929 0.951024 0.166270 K\n0.428071 0.951024 0.666270 K\n0.928071 0.048976 0.833730 K\n0.297128 0.405990 0.728342 K\n0.702872 0.594010 0.271658 K\n0.077521 0.060584 0.457500 Li\n0.377233 0.088041 0.229687 Li\n0.379608 0.330464 0.372027 Li\n0.620392 0.669536 0.627973 Li\n0.838458 0.215234 0.372206 Li\n0.653320 0.470069 0.007659 Li\n0.577521 0.939416 0.042500 Li\n0.019872 0.310804 0.576907 Li\n0.846680 0.470069 0.507659 Li\n0.879608 0.669536 0.127973 Li\n0.567091 0.360110 0.522333 Li\n0.761441 0.891423 0.976424 Li\n0.422479 0.060584 0.957500 Li\n0.519872 0.689196 0.923093 Li\n0.346680 0.529931 0.992341 Li\n0.432909 0.639890 0.477667 Li\n0.338458 0.784766 0.127794 Li\n0.153320 0.529931 0.492341 Li\n0.661542 0.215234 0.872206 Li\n0.932909 0.360110 0.022333 Li\n0.161542 0.784766 0.627794 Li\n0.622767 0.911959 0.770313 Li\n0.877233 0.911959 0.270313 Li\n0.738559 0.891423 0.476424 Li\n0.480128 0.310804 0.076907 Li\n0.238559 0.108577 0.023576 Li\n0.980128 0.689196 0.423093 Li\n0.120392 0.330464 0.872027 Li\n0.261441 0.108577 0.523576 Li\n0.122767 0.088041 0.729687 Li\n0.922479 0.939416 0.542500 Li\n0.067091 0.639890 0.977667 Li\n0.273511 0.811693 0.381127 Al\n0.016270 0.616466 0.703144 Al\n0.983730 0.383534 0.296856 Al\n0.516270 0.383534 0.796856 Al\n0.773511 0.188307 0.118873 Al\n0.726489 0.188307 0.618873 Al\n0.483730 0.616466 0.203144 Al\n0.226489 0.811693 0.881127 Al\n0.390878 0.450574 0.175041 O\n0.134370 0.962865 0.922361 O\n0.715078 0.526181 0.550827 O\n0.682228 0.098083 0.048970 O\n0.634370 0.037135 0.577639 O\n0.262990 0.934816 0.211158 O\n0.865630 0.037135 0.077639 O\n0.284922 0.473819 0.449173 O\n0.002960 0.500302 0.132142 O\n0.737010 0.065184 0.788842 O\n0.890878 0.549426 0.324959 O\n0.237010 0.934816 0.711158 O\n0.497040 0.500302 0.632142 O\n0.997040 0.499698 0.867858 O\n0.063730 0.440688 0.397956 O\n0.609122 0.549426 0.824959 O\n0.536117 0.049579 0.860068 O\n0.215078 0.473819 0.949173 O\n0.817772 0.098083 0.548970 O\n0.182228 0.901917 0.451030 O\n0.563730 0.559312 0.102044 O\n0.109122 0.450574 0.675041 O\n0.365630 0.962865 0.422361 O\n0.502960 0.499698 0.367858 O\n0.963883 0.049579 0.360068 O\n0.436270 0.440688 0.897956 O\n0.936270 0.559312 0.602044 O\n0.317772 0.901917 0.951030 O\n0.784922 0.526181 0.050827 O\n0.762990 0.065184 0.288842 O\n0.463883 0.950421 0.139932 O\n0.036117 0.950421 0.639932 O\n",
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{
"id": "mp-1184840",
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"structure_string": "K3 Al1\n1.0\n5.771874 0.000000 0.000000\n0.000000 5.771874 0.000000\n0.000000 0.000000 5.771874\nK Al\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Al\n",
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{
"id": "mp-1184882",
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{
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"structure_string": "Al4 Tl4 I16\n1.0\n8.130041 0.000000 0.000000\n0.000000 8.474896 0.000000\n0.000000 1.590476 16.465058\nAl Tl I\n4 4 16\ndirect\n0.142511 0.245359 0.360017 Al\n0.642511 0.754641 0.139983 Al\n0.357489 0.245359 0.860017 Al\n0.857489 0.754641 0.639983 Al\n0.501474 0.745750 0.862513 Tl\n0.998526 0.745750 0.362513 Tl\n0.498526 0.254250 0.137487 Tl\n0.001474 0.254250 0.637487 Tl\n0.259359 0.417217 0.467328 I\n0.611512 0.582902 0.275211 I\n0.111512 0.417098 0.224789 I\n0.655446 0.980021 0.660138 I\n0.344554 0.019979 0.339862 I\n0.860995 0.140758 0.409207 I\n0.759359 0.582783 0.032672 I\n0.155446 0.019979 0.839862 I\n0.740641 0.582783 0.532672 I\n0.844554 0.980021 0.160138 I\n0.888488 0.582902 0.775211 I\n0.240641 0.417217 0.967328 I\n0.139005 0.859242 0.590793 I\n0.639005 0.140758 0.909207 I\n0.360995 0.859242 0.090793 I\n0.388488 0.417098 0.724789 I\n",
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{
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"created_at": "2022-09-04T14:48:09.930232Z",
"structure_string": "Al2 Te2 I14\n1.0\n7.480304 0.000000 0.000000\n0.000000 7.758860 0.000000\n0.000000 4.255891 16.315106\nAl Te I\n2 2 14\ndirect\n0.995564 0.711732 0.654357 Al\n0.004436 0.711732 0.154357 Al\n0.597678 0.998246 0.501694 Te\n0.402322 0.998246 0.001694 Te\n0.384368 0.891811 0.388688 I\n0.393332 0.271681 0.532907 I\n0.169497 0.215499 0.890325 I\n0.830503 0.215499 0.390325 I\n0.119811 0.025471 0.154782 I\n0.606668 0.271681 0.032907 I\n0.126017 0.647222 0.021122 I\n0.873983 0.647222 0.521122 I\n0.664770 0.686208 0.161848 I\n0.335230 0.686208 0.661848 I\n0.143049 0.490029 0.278798 I\n0.856951 0.490029 0.778798 I\n0.615632 0.891811 0.888688 I\n0.880189 0.025471 0.654782 I\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Al-I-Te",
"density": 3.657800706363265,
"density_atomic": 0.019009270109982622,
"volume": 946.906424910412,
"volume_molar": 31.680020985327065,
"formula_full": "Al2 Te2 I14",
"formula_reduced": "AlTeI7",
"formula_anonymous": "ABC7",
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"updated_at": "2021-11-28T01:38:22.890000Z",
"spacegroup": 7
},
{
"id": "mp-28693",
"created_at": "2022-09-04T14:41:55.595625Z",
"structure_string": "Al12 Te12 I4\n1.0\n4.153185 0.000000 0.000000\n0.000000 11.670252 0.000000\n0.000000 0.000000 21.307713\nAl Te I\n12 12 4\ndirect\n0.750000 0.323547 0.871656 Al\n0.250000 0.676453 0.128344 Al\n0.750000 0.823547 0.628344 Al\n0.250000 0.176453 0.371656 Al\n0.250000 0.163923 0.005346 Al\n0.750000 0.836077 0.994654 Al\n0.250000 0.663923 0.494654 Al\n0.750000 0.336077 0.505346 Al\n0.250000 0.044007 0.905018 Al\n0.750000 0.955993 0.094982 Al\n0.250000 0.544007 0.594982 Al\n0.750000 0.455993 0.405018 Al\n0.250000 0.213727 0.818588 Te\n0.750000 0.786273 0.181412 Te\n0.250000 0.713727 0.681412 Te\n0.750000 0.286273 0.318588 Te\n0.750000 0.906424 0.874546 Te\n0.250000 0.093576 0.125454 Te\n0.750000 0.406424 0.625454 Te\n0.250000 0.593576 0.374546 Te\n0.750000 0.313609 0.997039 Te\n0.250000 0.686391 0.002961 Te\n0.750000 0.813609 0.502961 Te\n0.250000 0.186391 0.497039 Te\n0.750000 0.529844 0.835513 I\n0.250000 0.470156 0.164487 I\n0.750000 0.029844 0.664487 I\n0.250000 0.970156 0.335513 I\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.02711188302131946,
"volume": 1032.7574804738633,
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"formula_full": "Al12 Te12 I4",
"formula_reduced": "Al3Te3I",
"formula_anonymous": "AB3C3",
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"updated_at": "2021-11-28T01:35:29.367000Z",
"spacegroup": 62
},
{
"id": "mp-28118",
"created_at": "2022-09-04T14:40:13.477187Z",
"structure_string": "Al2 Sb2 I12\n1.0\n6.996037 8.467905 0.000000\n-6.996037 8.467905 0.000000\n0.000000 3.580126 7.241982\nAl Sb I\n2 2 12\ndirect\n0.196461 0.196461 0.651371 Al\n0.803539 0.803539 0.348629 Al\n0.809592 0.190408 0.000000 Sb\n0.190408 0.809592 0.000000 Sb\n0.214647 0.577064 0.925410 I\n0.422936 0.785353 0.074590 I\n0.785353 0.422936 0.074590 I\n0.577064 0.214647 0.925410 I\n0.024687 0.722368 0.421934 I\n0.277632 0.975313 0.578066 I\n0.975313 0.277632 0.578066 I\n0.722368 0.024687 0.421934 I\n0.858012 0.858012 0.995263 I\n0.141988 0.141988 0.004737 I\n0.640021 0.640021 0.533143 I\n0.359979 0.359979 0.466857 I\n",
"nsites": 16,
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"elements": [
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"Sb",
"I"
],
"chemical_system": "Al-I-Sb",
"density": 3.5227783216224737,
"density_atomic": 0.018646806803128455,
"volume": 858.0557609099919,
"volume_molar": 32.29582857580549,
"formula_full": "Al2 Sb2 I12",
"formula_reduced": "AlSbI6",
"formula_anonymous": "ABC6",
"energy": -46.78533071,
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"updated_at": "2021-11-28T01:34:45.771000Z",
"spacegroup": 12
},
{
"id": "mp-1215327",
"created_at": "2022-09-04T14:44:11.408774Z",
"structure_string": "Zr4 Al4 Ir4\n1.0\n2.696540 -4.619150 0.000000\n2.696540 4.619150 0.000000\n0.000000 0.000000 8.290068\nZr Al Ir\n4 4 4\ndirect\n0.334637 0.665363 0.208187 Zr\n0.670231 0.329769 0.322501 Zr\n0.670231 0.329769 0.677499 Zr\n0.334637 0.665363 0.791813 Zr\n0.994421 0.005579 0.254716 Al\n0.994421 0.005579 0.745284 Al\n0.828797 0.655219 0.000000 Al\n0.344781 0.171203 0.000000 Al\n0.830485 0.169515 0.000000 Ir\n0.169527 0.337977 0.500000 Ir\n0.662023 0.830473 0.500000 Ir\n0.166201 0.833799 0.500000 Ir\n",
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"elements": [
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],
"chemical_system": "Al-Ir-Zr",
"density": 9.984017049325747,
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"volume": 206.5175770240728,
"volume_molar": 10.363982652109236,
"formula_full": "Zr4 Al4 Ir4",
"formula_reduced": "ZrAlIr",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:36:34.962000Z",
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}
]
}