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{
"id": "mp-15319",
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"structure_string": "Lu8 C12\n1.0\n-4.005723 4.005723 4.005723\n4.005723 -4.005723 4.005723\n4.005723 4.005723 -4.005723\nLu C\n8 12\ndirect\n0.500000 0.000000 0.600285 Lu\n0.100285 0.500000 0.000000 Lu\n0.399715 0.399715 0.399715 Lu\n0.000000 0.100285 0.500000 Lu\n0.899715 0.899715 0.899715 Lu\n0.000000 0.600285 0.500000 Lu\n0.600285 0.500000 0.000000 Lu\n0.500000 0.000000 0.100285 Lu\n0.791020 0.250000 0.041020 C\n0.958980 0.250000 0.208980 C\n0.750000 0.291020 0.541020 C\n0.208980 0.958980 0.250000 C\n0.250000 0.208980 0.958980 C\n0.291020 0.541020 0.750000 C\n0.708980 0.750000 0.458980 C\n0.041020 0.791020 0.250000 C\n0.541020 0.750000 0.291020 C\n0.750000 0.458980 0.708980 C\n0.250000 0.041020 0.791020 C\n0.458980 0.708980 0.750000 C\n",
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{
"id": "mp-1208067",
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"nsites": 24,
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"formula_full": "Tm16 Cd4 Pd4",
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{
"id": "mp-643898",
"created_at": "2022-09-04T14:45:25.414298Z",
"structure_string": "Ca2 P4 H4 O14\n1.0\n4.067951 3.747361 0.000000\n-4.067951 3.747361 0.000000\n0.000000 1.841985 9.729042\nCa P H O\n2 4 4 14\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.223254 0.451172 0.190391 P\n0.548828 0.776746 0.309609 P\n0.776746 0.548828 0.809609 P\n0.451172 0.223254 0.690391 P\n0.920839 0.506234 0.348148 H\n0.493766 0.079161 0.151852 H\n0.079161 0.493766 0.651852 H\n0.506234 0.920839 0.848148 H\n0.270067 0.224728 0.123213 O\n0.775272 0.729933 0.376787 O\n0.729933 0.775272 0.876787 O\n0.224728 0.270067 0.623213 O\n0.026134 0.367597 0.325101 O\n0.632403 0.973866 0.174899 O\n0.973866 0.632403 0.674899 O\n0.367597 0.026134 0.825101 O\n0.148962 0.668112 0.104894 O\n0.331888 0.851038 0.395106 O\n0.851038 0.331888 0.895106 O\n0.668112 0.148962 0.604894 O\n0.476171 0.523829 0.250000 O\n0.523829 0.476171 0.750000 O\n",
"nsites": 24,
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"elements": [
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"density": 2.4188354307803017,
"density_atomic": 0.08091143844539725,
"volume": 296.6206071864153,
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"formula_full": "Ca2 P4 H4 O14",
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"updated_at": "2021-11-28T01:36:56.743000Z",
"spacegroup": 15
},
{
"id": "mp-1185885",
"created_at": "2022-09-04T14:45:31.361853Z",
"structure_string": "Mg1 Hg5\n1.0\n3.708060 0.000000 0.000000\n-1.854030 3.211274 0.000000\n0.000000 0.000000 13.158086\nMg Hg\n1 5\ndirect\n0.666668 0.333334 0.833334 Mg\n0.666668 0.333334 0.159667 Hg\n0.000000 0.000000 0.333333 Hg\n0.666668 0.333334 0.507000 Hg\n0.000000 0.000000 0.681853 Hg\n0.000000 0.000000 0.984813 Hg\n",
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"elements": [
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"density": 10.887057704006876,
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"formula_full": "Mg1 Hg5",
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"updated_at": "2021-11-28T01:37:04.734000Z",
"spacegroup": 187
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{
"id": "mp-6787",
"created_at": "2022-09-04T14:45:31.377808Z",
"structure_string": "Rb8 Li8 B32 O56\n1.0\n8.811270 0.000000 0.000000\n0.000000 11.458876 0.000000\n0.000000 0.000000 13.072062\nRb Li B O\n8 8 32 56\ndirect\n0.366228 0.454581 0.099790 Rb\n0.866228 0.045419 0.900210 Rb\n0.633772 0.954581 0.400210 Rb\n0.133772 0.545419 0.599790 Rb\n0.691656 0.373396 0.792567 Rb\n0.191656 0.126604 0.207433 Rb\n0.308344 0.873396 0.707433 Rb\n0.808344 0.626604 0.292567 Rb\n0.754800 0.672817 0.807896 Li\n0.254800 0.827183 0.192104 Li\n0.245200 0.172817 0.692104 Li\n0.745200 0.327183 0.307896 Li\n0.081525 0.646066 0.881275 Li\n0.581525 0.853934 0.118725 Li\n0.918475 0.146066 0.618725 Li\n0.418475 0.353934 0.381275 Li\n0.364103 0.724049 0.987758 B\n0.864103 0.775951 0.012242 B\n0.635897 0.224049 0.512242 B\n0.135897 0.275951 0.487758 B\n0.430166 0.597479 0.836343 B\n0.930166 0.902521 0.163657 B\n0.569834 0.097479 0.663657 B\n0.069834 0.402521 0.336343 B\n0.237506 0.421817 0.841454 B\n0.737506 0.078183 0.158546 B\n0.762494 0.921817 0.658546 B\n0.262494 0.578183 0.341454 B\n0.065340 0.255419 0.806009 B\n0.565340 0.244581 0.193991 B\n0.934660 0.755419 0.693991 B\n0.434660 0.744581 0.306009 B\n0.008748 0.391103 0.953086 B\n0.508748 0.108897 0.046914 B\n0.991252 0.891103 0.546914 B\n0.491252 0.608897 0.453086 B\n0.994833 0.379323 0.144450 B\n0.494833 0.120677 0.855550 B\n0.005167 0.879323 0.355550 B\n0.505167 0.620677 0.644450 B\n0.799474 0.487081 0.052467 B\n0.299474 0.012919 0.947533 B\n0.200526 0.987081 0.447533 B\n0.700526 0.512919 0.552467 B\n0.628497 0.643608 0.979191 B\n0.128497 0.856392 0.020809 B\n0.371503 0.143608 0.520809 B\n0.871503 0.356392 0.479191 B\n0.320994 0.669692 0.898086 O\n0.820994 0.830308 0.101914 O\n0.679006 0.169692 0.601914 O\n0.179006 0.330308 0.398086 O\n0.434485 0.651755 0.733007 O\n0.934485 0.848245 0.266993 O\n0.565515 0.151755 0.766993 O\n0.065515 0.348245 0.233007 O\n0.370659 0.476313 0.820393 O\n0.870659 0.023687 0.179607 O\n0.629341 0.976313 0.679607 O\n0.129341 0.523687 0.320393 O\n0.206258 0.316918 0.790091 O\n0.706258 0.183082 0.209909 O\n0.793742 0.816918 0.709909 O\n0.293742 0.683082 0.290091 O\n0.033140 0.166098 0.744315 O\n0.533140 0.333902 0.255685 O\n0.966860 0.666098 0.755685 O\n0.466860 0.833902 0.244315 O\n0.973884 0.291781 0.885972 O\n0.473884 0.208219 0.114028 O\n0.026116 0.791781 0.614028 O\n0.526116 0.708219 0.385972 O\n0.131697 0.466388 0.909002 O\n0.631697 0.033612 0.090998 O\n0.868303 0.966388 0.590998 O\n0.368303 0.533612 0.409002 O\n0.872106 0.464251 0.962540 O\n0.372106 0.035749 0.037460 O\n0.127894 0.964251 0.537460 O\n0.627894 0.535749 0.462540 O\n0.062103 0.348838 0.053946 O\n0.562103 0.151162 0.946054 O\n0.937897 0.848838 0.446054 O\n0.437897 0.651162 0.553946 O\n0.857113 0.441424 0.145252 O\n0.357113 0.058576 0.854748 O\n0.142887 0.941424 0.354748 O\n0.642887 0.558576 0.645252 O\n0.673359 0.555901 0.058913 O\n0.173359 0.944099 0.941087 O\n0.326641 0.055901 0.441087 O\n0.826641 0.444099 0.558913 O\n0.579732 0.591861 0.882567 O\n0.079732 0.908139 0.117433 O\n0.420268 0.091861 0.617433 O\n0.920268 0.408139 0.382567 O\n0.762397 0.716118 0.952966 O\n0.262397 0.783882 0.047034 O\n0.237603 0.216118 0.547034 O\n0.737603 0.283882 0.452966 O\n0.509484 0.717046 0.026306 O\n0.009484 0.782954 0.973694 O\n0.490516 0.217046 0.473694 O\n0.990516 0.282954 0.526306 O\n",
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"formula_full": "Rb8 Li8 B32 O56",
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{
"id": "mp-1206589",
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"structure_string": "Dy4 Fe2 Si4\n1.0\n2.069612 5.250302 0.000000\n-2.069612 5.250302 0.000000\n0.000000 4.880940 8.707971\nDy Fe Si\n4 2 4\ndirect\n0.999150 0.999150 0.328512 Dy\n0.000850 0.000850 0.671488 Dy\n0.811548 0.811548 0.109354 Dy\n0.188452 0.188452 0.890646 Dy\n0.727980 0.727980 0.623086 Fe\n0.272020 0.272020 0.376914 Fe\n0.655201 0.655201 0.435690 Si\n0.344799 0.344799 0.564310 Si\n0.500797 0.500797 0.126041 Si\n0.499203 0.499203 0.873959 Si\n",
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{
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"structure_string": "Yb4 In2 Au4\n1.0\n7.912570 0.000000 0.000000\n0.000000 7.912570 0.000000\n0.000000 0.000000 3.849585\nYb In Au\n4 2 4\ndirect\n0.670940 0.170940 0.500000 Yb\n0.329060 0.829060 0.500000 Yb\n0.170940 0.329060 0.500000 Yb\n0.829060 0.670940 0.500000 Yb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.129128 0.629128 0.000000 Au\n0.870872 0.370872 0.000000 Au\n0.629128 0.870872 0.000000 Au\n0.370872 0.129128 0.000000 Au\n",
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{
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"structure_string": "K2 In12 Se19\n1.0\n7.276797 -7.029019 0.000000\n7.276797 7.029019 0.000000\n0.487119 0.000000 10.105523\nK In Se\n2 12 19\ndirect\n0.164548 0.164548 0.164548 K\n0.835452 0.835452 0.835452 K\n0.701104 0.124471 0.223259 In\n0.520544 0.186117 0.572808 In\n0.124471 0.223259 0.701104 In\n0.776741 0.298896 0.875529 In\n0.813883 0.427192 0.479456 In\n0.427192 0.479456 0.813883 In\n0.572808 0.520544 0.186117 In\n0.186117 0.572808 0.520544 In\n0.223259 0.701104 0.124471 In\n0.875529 0.776741 0.298896 In\n0.479456 0.813883 0.427192 In\n0.298896 0.875529 0.776741 In\n0.905270 0.023596 0.340026 Se\n0.463456 0.102582 0.342400 Se\n0.659974 0.094730 0.976404 Se\n0.772709 0.212441 0.624956 Se\n0.375044 0.227291 0.787559 Se\n0.102582 0.342400 0.463456 Se\n0.023596 0.340026 0.905270 Se\n0.787559 0.375044 0.227291 Se\n0.342400 0.463456 0.102582 Se\n0.500000 0.500000 0.500000 Se\n0.657600 0.536544 0.897418 Se\n0.212441 0.624956 0.772709 Se\n0.976404 0.659974 0.094730 Se\n0.897418 0.657600 0.536544 Se\n0.624956 0.772709 0.212441 Se\n0.227291 0.787559 0.375044 Se\n0.340026 0.905270 0.023596 Se\n0.536544 0.897418 0.657600 Se\n0.094730 0.976404 0.659974 Se\n",
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{
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{
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"structure_string": "Ca1 Bi1 Pd2\n1.0\n0.000000 3.477124 3.477124\n3.477124 0.000000 3.477124\n3.477124 3.477124 0.000000\nCa Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Bi\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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}