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{
"id": "mp-569862",
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"structure_string": "Rb8 P4 Se18\n1.0\n5.389904 4.986481 0.000000\n-5.389904 4.986481 0.000000\n0.000000 1.116050 19.576255\nRb P Se\n8 4 18\ndirect\n0.780425 0.282540 0.525393 Rb\n0.219575 0.717460 0.474607 Rb\n0.564495 0.752020 0.679109 Rb\n0.435505 0.247980 0.320891 Rb\n0.247980 0.435505 0.820891 Rb\n0.282540 0.780425 0.025393 Rb\n0.717460 0.219575 0.974607 Rb\n0.752020 0.564495 0.179109 Rb\n0.254483 0.269042 0.618483 P\n0.730958 0.745517 0.881517 P\n0.745517 0.730958 0.381517 P\n0.269042 0.254483 0.118483 P\n0.952417 0.988803 0.352617 Se\n0.516776 0.120356 0.141588 Se\n0.047583 0.011197 0.647383 Se\n0.499658 0.245512 0.676847 Se\n0.276286 0.211847 0.508963 Se\n0.723714 0.788153 0.491037 Se\n0.483224 0.879644 0.858412 Se\n0.011197 0.047583 0.147383 Se\n0.754488 0.500341 0.823153 Se\n0.988803 0.952417 0.852617 Se\n0.211847 0.276286 0.008963 Se\n0.500341 0.754488 0.323153 Se\n0.245512 0.499659 0.176847 Se\n0.788153 0.723714 0.991037 Se\n0.901009 0.098991 0.750000 Se\n0.120356 0.516776 0.641588 Se\n0.879644 0.483224 0.358412 Se\n0.098991 0.901009 0.250000 Se\n",
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{
"id": "mp-1100505",
"created_at": "2022-09-04T14:43:54.445836Z",
"structure_string": "Li9 Mn7 O16\n1.0\n2.872746 5.342266 0.000000\n-2.872746 5.342266 0.000000\n0.000000 4.254934 9.662830\nLi Mn O\n9 7 16\ndirect\n0.748987 0.748987 0.243148 Li\n0.743107 0.743107 0.759965 Li\n0.745158 0.257729 0.249804 Li\n0.742271 0.254842 0.750196 Li\n0.257729 0.745158 0.249804 Li\n0.254842 0.742271 0.750196 Li\n0.256893 0.256893 0.240035 Li\n0.251013 0.251013 0.756852 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.636881 0.636881 0.113842 O\n0.639240 0.639240 0.621138 O\n0.628627 0.106157 0.103132 O\n0.638615 0.139400 0.616936 O\n0.106157 0.628627 0.103132 O\n0.139400 0.638615 0.616936 O\n0.140459 0.140459 0.118100 O\n0.139420 0.139420 0.619567 O\n0.860580 0.860580 0.380433 O\n0.859541 0.859541 0.881900 O\n0.860600 0.361385 0.383064 O\n0.893843 0.371373 0.896868 O\n0.361385 0.860600 0.383064 O\n0.371373 0.893843 0.896868 O\n0.360760 0.360760 0.378862 O\n0.363119 0.363119 0.886158 O\n",
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"volume": 296.5903876854421,
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"formula_full": "Li9 Mn7 O16",
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"formula_anonymous": "A7B9C16",
"energy": -228.96719442,
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"spacegroup": 12
},
{
"id": "mp-1079110",
"created_at": "2022-09-04T14:43:54.449136Z",
"structure_string": "Hf6 Al2 N2\n1.0\n1.660162 -5.702097 0.000000\n1.660162 5.702097 0.000000\n0.000000 0.000000 8.898054\nHf Al N\n6 2 2\ndirect\n0.627759 0.372241 0.457371 Hf\n0.372241 0.627759 0.542629 Hf\n0.627759 0.372241 0.042629 Hf\n0.372241 0.627759 0.957371 Hf\n0.956807 0.043193 0.250000 Hf\n0.043193 0.956807 0.750000 Hf\n0.252890 0.747110 0.250000 Al\n0.747110 0.252890 0.750000 Al\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Hf6 Al2 N2",
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"updated_at": "2021-11-28T01:36:09.811000Z",
"spacegroup": 63
},
{
"id": "mp-1236332",
"created_at": "2022-09-04T14:43:54.459608Z",
"structure_string": "Li1 Al2 H4 Pb2 O4 F6\n1.0\n6.190496 -0.256954 -1.693818\n-2.244383 7.241191 -0.357801\n0.180375 -0.152914 5.079898\nLi Al H Pb O F\n1 2 4 2 4 6\ndirect\n0.500000 0.500000 0.000000 Li\n0.191942 0.656315 0.174529 Al\n0.808058 0.343685 0.825471 Al\n0.159496 0.490580 0.692114 H\n0.840504 0.509420 0.307886 H\n0.228501 0.865957 0.838192 H\n0.771499 0.134043 0.161808 H\n0.783230 0.870407 0.659744 Pb\n0.216770 0.129593 0.340256 Pb\n0.125775 0.459076 0.866091 O\n0.874225 0.540924 0.133909 O\n0.140665 0.847794 0.974951 O\n0.859335 0.152206 0.025049 O\n0.269409 0.827966 0.489904 F\n0.730591 0.172034 0.510097 F\n0.254967 0.493059 0.406759 F\n0.745033 0.506941 0.593241 F\n0.492169 0.729440 0.157969 F\n0.507831 0.270560 0.842031 F\n",
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"elements": [
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"chemical_system": "Al-F-H-Li-O-Pb",
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"volume": 226.09369512784636,
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"formula_full": "Li1 Al2 H4 Pb2 O4 F6",
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"updated_at": "2021-11-28T01:36:25.044000Z",
"spacegroup": 2
},
{
"id": "mp-18881",
"created_at": "2022-09-04T14:43:54.461310Z",
"structure_string": "K1 Cr4 O8\n1.0\n-4.973817 4.973817 1.503675\n4.973817 -4.973817 1.503675\n4.973817 4.973817 -1.503675\nK Cr O\n1 4 8\ndirect\n0.500000 0.500000 0.000000 K\n0.835393 0.348119 0.183512 Cr\n0.164607 0.651881 0.816488 Cr\n0.348119 0.164607 0.512726 Cr\n0.651881 0.835393 0.487274 Cr\n0.797736 0.154639 0.952374 O\n0.202264 0.845361 0.047626 O\n0.154639 0.202264 0.356903 O\n0.845361 0.797736 0.643097 O\n0.837298 0.539708 0.377006 O\n0.162702 0.460292 0.622994 O\n0.539708 0.162702 0.702410 O\n0.460292 0.837298 0.297590 O\n",
"nsites": 13,
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"elements": [
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],
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"volume": 148.7967944735115,
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"formula_full": "K1 Cr4 O8",
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"formula_anonymous": "AB4C8",
"energy": -107.25190512,
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"updated_at": "2021-11-28T01:36:23.107000Z",
"spacegroup": 87
},
{
"id": "mp-1193140",
"created_at": "2022-09-04T14:43:54.464600Z",
"structure_string": "Cs8 S20\n1.0\n7.086800 0.000000 0.000000\n0.000000 7.393837 0.000000\n0.000000 0.000000 19.190459\nCs S\n8 20\ndirect\n0.114735 0.577754 0.015416 Cs\n0.614735 0.922246 0.984584 Cs\n0.885265 0.077754 0.484584 Cs\n0.385265 0.422246 0.515416 Cs\n0.573877 0.754375 0.334013 Cs\n0.073877 0.745625 0.665987 Cs\n0.426123 0.254375 0.165987 Cs\n0.926123 0.245625 0.834013 Cs\n0.080693 0.074277 0.030738 S\n0.580693 0.425723 0.969262 S\n0.919307 0.574277 0.469262 S\n0.419307 0.925723 0.530738 S\n0.478186 0.765290 0.153859 S\n0.978186 0.734710 0.846141 S\n0.521814 0.265290 0.346141 S\n0.021814 0.234710 0.653859 S\n0.927486 0.121927 0.119687 S\n0.427486 0.378073 0.880313 S\n0.072514 0.621927 0.380313 S\n0.572514 0.878073 0.619687 S\n0.932083 0.900723 0.187263 S\n0.432083 0.599277 0.812737 S\n0.067917 0.400723 0.312737 S\n0.567917 0.099277 0.687263 S\n0.758366 0.694732 0.148762 S\n0.258366 0.805268 0.851238 S\n0.241634 0.194732 0.351238 S\n0.741634 0.305268 0.648762 S\n",
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"volume": 1005.5540303278237,
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{
"id": "mp-1235664",
"created_at": "2022-09-04T14:43:54.470547Z",
"structure_string": "Li1 Hf8 N8 O4\n1.0\n5.825575 0.007919 -0.784138\n2.906763 -5.001837 -0.762057\n4.528478 0.807301 -9.852099\nLi Hf N O\n1 8 8 4\ndirect\n0.911804 0.020804 0.335813 Li\n0.205790 0.345200 0.378251 Hf\n0.157352 0.986777 0.748395 Hf\n0.263165 0.338337 0.005735 Hf\n0.604972 0.348328 0.651882 Hf\n0.533017 0.672865 0.377114 Hf\n0.807125 0.989191 0.095486 Hf\n0.553231 0.660294 0.036569 Hf\n0.855717 0.667706 0.726134 Hf\n0.597152 0.000619 0.325671 N\n0.409837 0.354504 0.137396 N\n0.272602 0.699681 0.617886 N\n0.830976 0.330038 0.424087 N\n0.390614 0.631939 0.862775 N\n0.792424 0.622375 0.137231 N\n0.004780 0.325722 0.617823 N\n0.727665 0.986076 0.895918 N\n0.146450 0.005292 0.100599 O\n0.187071 0.697630 0.372216 O\n0.990669 0.364087 0.881794 O\n0.576592 0.007204 0.665248 O\n",
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"formula_full": "Li1 Hf8 N8 O4",
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},
{
"id": "mp-1110815",
"created_at": "2022-09-04T14:43:54.606271Z",
"structure_string": "Cs1 Rb2 Tb1 Cl6\n1.0\n0.000000 5.916798 5.916798\n5.916798 0.000000 5.916798\n5.916798 5.916798 0.000000\nCs Rb Tb Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tb\n0.776017 0.223983 0.223983 Cl\n0.223983 0.223983 0.776017 Cl\n0.223983 0.776017 0.776017 Cl\n0.223983 0.776017 0.223983 Cl\n0.776017 0.223983 0.776017 Cl\n0.776017 0.776017 0.223983 Cl\n",
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"formula_full": "Cs1 Rb2 Tb1 Cl6",
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{
"id": "mp-1198317",
"created_at": "2022-09-04T14:43:54.471355Z",
"structure_string": "Mg16 Al4 Si12\n1.0\n6.559292 0.000000 0.000000\n0.000000 6.559292 0.000000\n0.000000 0.000000 13.820557\nMg Al Si\n16 4 12\ndirect\n0.816225 0.155542 0.097088 Mg\n0.183775 0.155542 0.597088 Mg\n0.816225 0.844458 0.597088 Mg\n0.183775 0.844458 0.097088 Mg\n0.655542 0.316225 0.597088 Mg\n0.344458 0.316225 0.097088 Mg\n0.655542 0.683775 0.097088 Mg\n0.344458 0.683775 0.597088 Mg\n0.683775 0.344458 0.902912 Mg\n0.316225 0.344458 0.402912 Mg\n0.683775 0.655542 0.402912 Mg\n0.316225 0.655542 0.902912 Mg\n0.844458 0.183775 0.402912 Mg\n0.155542 0.183775 0.902912 Mg\n0.844458 0.816225 0.902912 Mg\n0.155542 0.816225 0.402912 Mg\n0.000000 0.500000 0.218743 Al\n0.000000 0.500000 0.718743 Al\n0.500000 0.000000 0.781257 Al\n0.500000 0.000000 0.281257 Al\n0.000000 0.500000 0.016236 Si\n0.000000 0.500000 0.516236 Si\n0.500000 0.000000 0.983764 Si\n0.500000 0.000000 0.483764 Si\n0.632680 0.367320 0.250000 Si\n0.367320 0.367320 0.750000 Si\n0.632680 0.632680 0.750000 Si\n0.367320 0.632680 0.250000 Si\n0.867320 0.132680 0.750000 Si\n0.132680 0.132680 0.250000 Si\n0.867320 0.867320 0.250000 Si\n0.132680 0.867320 0.750000 Si\n",
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"volume": 594.6199500417971,
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"formula_full": "Mg16 Al4 Si12",
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},
{
"id": "mp-1183270",
"created_at": "2022-09-04T14:43:54.475263Z",
"structure_string": "Al2 Si2 H4 O9\n1.0\n4.509579 2.624023 0.000000\n-4.509579 2.624023 0.000000\n0.000000 0.229061 7.133833\nAl Si H O\n2 2 4 9\ndirect\n0.341140 0.012118 0.517760 Al\n0.012118 0.341140 0.517760 Al\n0.321997 0.663313 0.129087 Si\n0.663313 0.321997 0.129087 Si\n0.883316 0.883316 0.354258 H\n0.396198 0.396198 0.760325 H\n0.658502 0.013035 0.778619 H\n0.013035 0.658502 0.778619 H\n0.507499 0.996689 0.033919 O\n0.996689 0.507499 0.033919 O\n0.494130 0.494130 0.051484 O\n0.675040 0.297359 0.354955 O\n0.297359 0.675040 0.354955 O\n0.067692 0.067692 0.364626 O\n0.669510 0.053417 0.643830 O\n0.053417 0.669510 0.643830 O\n0.282345 0.282345 0.655366 O\n",
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"elements": [
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}