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{
"id": "mp-625548",
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"structure_string": "Cd1 H2 O2\n1.0\n1.793563 -3.106542 0.000000\n1.793563 3.106542 0.000000\n0.000000 0.000000 4.694469\nCd H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.554728 H\n0.333333 0.666667 0.445272 H\n0.666667 0.333333 0.763091 O\n0.333333 0.666667 0.236909 O\n",
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{
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{
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"created_at": "2022-09-04T14:43:01.053710Z",
"structure_string": "Gd8 S12\n1.0\n3.923569 0.000000 0.000000\n0.000000 10.559374 0.000000\n0.000000 0.000000 10.769149\nGd S\n8 12\ndirect\n0.250000 0.813981 0.490856 Gd\n0.250000 0.004954 0.809005 Gd\n0.750000 0.313981 0.009144 Gd\n0.250000 0.495046 0.309005 Gd\n0.750000 0.186019 0.509144 Gd\n0.750000 0.995046 0.190995 Gd\n0.750000 0.504954 0.690995 Gd\n0.250000 0.686019 0.990856 Gd\n0.750000 0.302855 0.272377 S\n0.250000 0.802855 0.227623 S\n0.250000 0.127306 0.046565 S\n0.750000 0.627306 0.453435 S\n0.750000 0.555763 0.120111 S\n0.250000 0.055763 0.379889 S\n0.750000 0.197145 0.772377 S\n0.250000 0.372694 0.546565 S\n0.750000 0.944237 0.620111 S\n0.250000 0.444237 0.879889 S\n0.750000 0.872694 0.953435 S\n0.250000 0.697145 0.727623 S\n",
"nsites": 20,
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{
"id": "mp-569853",
"created_at": "2022-09-04T14:43:01.077296Z",
"structure_string": "Cs2 Nb8 Br22\n1.0\n7.433483 0.000000 0.000000\n0.000000 7.474018 0.000000\n0.000000 0.000000 17.089456\nCs Nb Br\n2 8 22\ndirect\n0.500000 0.490746 0.250000 Cs\n0.500000 0.509254 0.750000 Cs\n0.000000 0.117322 0.638740 Nb\n0.207143 0.000000 0.500000 Nb\n0.792857 0.000000 0.000000 Nb\n0.000000 0.882678 0.361260 Nb\n0.000000 0.882678 0.138740 Nb\n0.792857 0.000000 0.500000 Nb\n0.000000 0.117322 0.861260 Nb\n0.207143 0.000000 0.000000 Nb\n0.500000 0.871575 0.915846 Br\n0.000000 0.792583 0.586861 Br\n0.748601 0.307294 0.923274 Br\n0.251399 0.307294 0.923274 Br\n0.000000 0.604389 0.250000 Br\n0.766389 0.010809 0.250000 Br\n0.251399 0.692706 0.076726 Br\n0.748601 0.692706 0.423274 Br\n0.000000 0.207417 0.413139 Br\n0.251399 0.307294 0.576726 Br\n0.748601 0.307294 0.576726 Br\n0.000000 0.395611 0.750000 Br\n0.766389 0.989191 0.750000 Br\n0.500000 0.871575 0.584154 Br\n0.233611 0.989191 0.750000 Br\n0.000000 0.207417 0.086861 Br\n0.748601 0.692706 0.076726 Br\n0.251399 0.692706 0.423274 Br\n0.000000 0.792583 0.913139 Br\n0.233611 0.010809 0.250000 Br\n0.500000 0.128425 0.084154 Br\n0.500000 0.128425 0.415846 Br\n",
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"elements": [
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],
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"density": 4.83922337960364,
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"volume": 949.4557528325753,
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"formula_full": "Cs2 Nb8 Br22",
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"spacegroup": 51
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{
"id": "mp-11819",
"created_at": "2022-09-04T14:42:58.709737Z",
"structure_string": "Ba2 Sn2 Hg2\n1.0\n2.506170 -4.340813 0.000000\n2.506170 4.340813 0.000000\n0.000000 0.000000 9.714799\nBa Sn Hg\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.250000 Sn\n0.333333 0.666667 0.750000 Sn\n0.333333 0.666667 0.250000 Hg\n0.666667 0.333333 0.750000 Hg\n",
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"volume": 211.37100831020317,
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"formula_full": "Ba2 Sn2 Hg2",
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"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "mp-1069383",
"created_at": "2022-09-04T14:42:58.710950Z",
"structure_string": "Eu1 Zn2 P2\n1.0\n2.056901 -3.562658 0.000000\n2.056901 3.562658 0.000000\n0.000000 0.000000 6.862419\nEu Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.362737 Zn\n0.333333 0.666667 0.637263 Zn\n0.666667 0.333333 0.733302 P\n0.333333 0.666667 0.266698 P\n",
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{
"id": "mp-541794",
"created_at": "2022-09-04T14:42:58.704283Z",
"structure_string": "K2 Fe2 B2 P4 H2 O18\n1.0\n5.169692 0.000000 0.000000\n0.537994 8.092122 0.000000\n1.329868 0.511390 8.227849\nK Fe B P H O\n2 2 2 4 2 18\ndirect\n0.721215 0.327816 0.111916 K\n0.278785 0.672184 0.888084 K\n0.263755 0.195982 0.807316 Fe\n0.736245 0.804018 0.192684 Fe\n0.126435 0.263963 0.447164 B\n0.873565 0.736037 0.552836 B\n0.201583 0.587084 0.304007 P\n0.798417 0.412916 0.695993 P\n0.220361 0.061276 0.181564 P\n0.779639 0.938724 0.818436 P\n0.478683 0.172933 0.519660 H\n0.521317 0.827067 0.480340 H\n0.030469 0.403030 0.792527 O\n0.969531 0.596970 0.207473 O\n0.069622 0.143165 0.338105 O\n0.930378 0.856835 0.661895 O\n0.061047 0.918816 0.151336 O\n0.938953 0.081184 0.848664 O\n0.130502 0.681207 0.464441 O\n0.869498 0.318793 0.535559 O\n0.235689 0.202286 0.044746 O\n0.764311 0.797714 0.955254 O\n0.271077 0.400743 0.351353 O\n0.728923 0.599257 0.648647 O\n0.293809 0.189420 0.565693 O\n0.706191 0.810580 0.434307 O\n0.452095 0.649160 0.203445 O\n0.547905 0.350840 0.796555 O\n0.501651 0.003645 0.210101 O\n0.498349 0.996355 0.789899 O\n",
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{
"id": "mp-1196488",
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"structure_string": "Zn8 H40 Cl16 O20\n1.0\n10.025693 0.000000 0.000000\n0.000000 7.412434 0.000000\n0.000000 4.122951 15.143803\nZn H Cl O\n8 40 16 20\ndirect\n0.271768 0.625959 0.654665 Zn\n0.228232 0.625959 0.154665 Zn\n0.728232 0.374041 0.345335 Zn\n0.771768 0.374041 0.845335 Zn\n0.268643 0.121899 0.855392 Zn\n0.231357 0.121899 0.355392 Zn\n0.731357 0.878101 0.144608 Zn\n0.768643 0.878101 0.644608 Zn\n0.102524 0.712020 0.513719 H\n0.397476 0.712020 0.013719 H\n0.897476 0.287980 0.486281 H\n0.602524 0.287980 0.986281 H\n0.151642 0.505437 0.529811 H\n0.348358 0.505437 0.029811 H\n0.848358 0.494563 0.470189 H\n0.651642 0.494563 0.970189 H\n0.339749 0.997464 0.613075 H\n0.160251 0.997464 0.113075 H\n0.660251 0.002536 0.386925 H\n0.839749 0.002536 0.886925 H\n0.181572 0.986616 0.611515 H\n0.318428 0.986616 0.111515 H\n0.818428 0.013384 0.388485 H\n0.681572 0.013384 0.888485 H\n0.519273 0.619650 0.576160 H\n0.980727 0.619650 0.076160 H\n0.480727 0.380350 0.423840 H\n0.019273 0.380350 0.923840 H\n0.416783 0.729014 0.505801 H\n0.083217 0.729014 0.005801 H\n0.583217 0.270986 0.494199 H\n0.916783 0.270986 0.994199 H\n0.097858 0.735412 0.773207 H\n0.402142 0.735412 0.273207 H\n0.902142 0.264588 0.226793 H\n0.597858 0.264588 0.726793 H\n0.047033 0.550588 0.747767 H\n0.452967 0.550588 0.247767 H\n0.952967 0.449412 0.252233 H\n0.547033 0.449412 0.752233 H\n0.449329 0.743012 0.769577 H\n0.050671 0.743012 0.269577 H\n0.550671 0.256988 0.230423 H\n0.949329 0.256988 0.730423 H\n0.374510 0.557410 0.815333 H\n0.125490 0.557410 0.315333 H\n0.625490 0.442590 0.184667 H\n0.874510 0.442590 0.684667 H\n0.281405 0.280732 0.704673 Cl\n0.218595 0.280732 0.204673 Cl\n0.718595 0.719268 0.295327 Cl\n0.781405 0.719268 0.795327 Cl\n0.449785 0.926777 0.885376 Cl\n0.050215 0.926777 0.385376 Cl\n0.550215 0.073223 0.114624 Cl\n0.949785 0.073223 0.614624 Cl\n0.255857 0.346992 0.929870 Cl\n0.244143 0.346992 0.429870 Cl\n0.744143 0.653008 0.070130 Cl\n0.755857 0.653008 0.570130 Cl\n0.080700 0.937215 0.870154 Cl\n0.419300 0.937215 0.370154 Cl\n0.919300 0.062785 0.129846 Cl\n0.580700 0.062785 0.629846 Cl\n0.125515 0.598388 0.560857 O\n0.374485 0.598388 0.060857 O\n0.874485 0.401612 0.439143 O\n0.625515 0.401612 0.939143 O\n0.264326 0.919092 0.606038 O\n0.235674 0.919092 0.106038 O\n0.735674 0.080908 0.393962 O\n0.764326 0.080908 0.893962 O\n0.423590 0.629914 0.561655 O\n0.076410 0.629914 0.061655 O\n0.576410 0.370086 0.438345 O\n0.923590 0.370086 0.938345 O\n0.123673 0.634897 0.746455 O\n0.376327 0.634897 0.246455 O\n0.876327 0.365103 0.253545 O\n0.623673 0.365103 0.753545 O\n0.419408 0.623773 0.759703 O\n0.080592 0.623773 0.259703 O\n0.580592 0.376227 0.240297 O\n0.919408 0.376227 0.740297 O\n",
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{
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