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{
"id": "mp-15792",
"created_at": "2022-09-04T14:41:30.050355Z",
"structure_string": "Li1 Gd1 Se2\n1.0\n6.608089 -2.059068 0.000000\n6.608089 2.059068 0.000000\n5.966488 0.000000 3.508223\nLi Gd Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Gd\n0.248453 0.248453 0.248453 Se\n0.751547 0.751547 0.751547 Se\n",
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{
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{
"id": "mp-1197263",
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"structure_string": "Ag4 H40 Rh4 N24 O40\n1.0\n7.493477 0.000000 -0.561025\n0.000000 12.372356 0.000000\n-0.002647 0.000000 12.928741\nAg H Rh N O\n4 40 4 24 40\ndirect\n0.286891 0.596239 0.267834 Ag\n0.713109 0.096239 0.232166 Ag\n0.713109 0.403761 0.732166 Ag\n0.286891 0.903761 0.767834 Ag\n0.052051 0.649709 0.509844 H\n0.947949 0.149709 0.990156 H\n0.947949 0.350291 0.490156 H\n0.052051 0.850291 0.009844 H\n0.903847 0.634845 0.407148 H\n0.096153 0.134845 0.092852 H\n0.096153 0.365155 0.592852 H\n0.903847 0.865155 0.907148 H\n0.024253 0.747244 0.419091 H\n0.975747 0.247244 0.080909 H\n0.975747 0.252756 0.580909 H\n0.024253 0.752756 0.919091 H\n0.889870 0.908214 0.421061 H\n0.110130 0.408214 0.078939 H\n0.110130 0.091786 0.578939 H\n0.889870 0.591786 0.921061 H\n0.674158 0.893911 0.387091 H\n0.325842 0.393911 0.112909 H\n0.325842 0.106089 0.612909 H\n0.674158 0.606089 0.887091 H\n0.736771 0.959370 0.495642 H\n0.263229 0.459370 0.004358 H\n0.263229 0.040630 0.504358 H\n0.736771 0.540630 0.995642 H\n0.310771 0.650889 0.640061 H\n0.689229 0.150889 0.859939 H\n0.689229 0.349111 0.359939 H\n0.310771 0.849111 0.140061 H\n0.267415 0.529837 0.616197 H\n0.732585 0.029837 0.883803 H\n0.732585 0.470163 0.383803 H\n0.267415 0.970163 0.116197 H\n0.146014 0.905267 0.278668 H\n0.853986 0.405267 0.221332 H\n0.853986 0.094733 0.721332 H\n0.146014 0.594733 0.778668 H\n0.238174 0.881290 0.387419 H\n0.761826 0.381290 0.112581 H\n0.761826 0.118710 0.612581 H\n0.238174 0.618710 0.887419 H\n0.757629 0.755585 0.541736 Rh\n0.242371 0.255585 0.958264 Rh\n0.242371 0.244415 0.458264 Rh\n0.757629 0.744415 0.041736 Rh\n0.957808 0.824517 0.639518 N\n0.042192 0.324517 0.860482 N\n0.042192 0.175483 0.360482 N\n0.957808 0.675483 0.139518 N\n0.563123 0.830005 0.621213 N\n0.436877 0.330005 0.878787 N\n0.436877 0.169995 0.378787 N\n0.563123 0.669995 0.121213 N\n0.564378 0.692524 0.434972 N\n0.435622 0.192524 0.065028 N\n0.435622 0.307476 0.565028 N\n0.564378 0.807476 0.934972 N\n0.755191 0.612975 0.626032 N\n0.244809 0.112975 0.873968 N\n0.244809 0.387025 0.373968 N\n0.755191 0.887025 0.126032 N\n0.960400 0.689039 0.459413 N\n0.039600 0.189039 0.040587 N\n0.039600 0.310961 0.540587 N\n0.960400 0.810961 0.959413 N\n0.766610 0.895722 0.449495 N\n0.233390 0.395722 0.050505 N\n0.233390 0.104278 0.550505 N\n0.766610 0.604278 0.949495 N\n0.087834 0.865812 0.598592 O\n0.912166 0.365812 0.901408 O\n0.912166 0.134188 0.401408 O\n0.087834 0.634188 0.098592 O\n0.953157 0.824760 0.735526 O\n0.046843 0.324760 0.764474 O\n0.046843 0.175240 0.264474 O\n0.953157 0.675240 0.235526 O\n0.558135 0.930733 0.625165 O\n0.441865 0.430733 0.874835 O\n0.441865 0.069267 0.374835 O\n0.558135 0.569267 0.125165 O\n0.450640 0.776084 0.666809 O\n0.549360 0.276084 0.833191 O\n0.549360 0.223916 0.333191 O\n0.450640 0.723916 0.166809 O\n0.593370 0.608795 0.384106 O\n0.406630 0.108795 0.115894 O\n0.406630 0.391205 0.615894 O\n0.593370 0.891205 0.884106 O\n0.418907 0.741004 0.418041 O\n0.581093 0.241004 0.081959 O\n0.581093 0.258996 0.581959 O\n0.418907 0.758996 0.918041 O\n0.788313 0.526077 0.581266 O\n0.211687 0.026077 0.918734 O\n0.211687 0.473923 0.418734 O\n0.788313 0.973923 0.081266 O\n0.718723 0.610807 0.718584 O\n0.281277 0.110807 0.781416 O\n0.281277 0.389193 0.281416 O\n0.718723 0.889193 0.218584 O\n0.213148 0.597617 0.637560 O\n0.786852 0.097617 0.862440 O\n0.786852 0.402383 0.362440 O\n0.213148 0.902383 0.137560 O\n0.121571 0.896683 0.352414 O\n0.878429 0.396683 0.147586 O\n0.878429 0.103317 0.647586 O\n0.121571 0.603317 0.852414 O\n",
"nsites": 112,
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"elements": [
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"H",
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"N",
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],
"chemical_system": "Ag-H-N-O-Rh",
"density": 2.576151538054806,
"density_atomic": 0.09343996302443607,
"volume": 1198.630611301828,
"volume_molar": 6.444930589736121,
"formula_full": "Ag4 H40 Rh4 N24 O40",
"formula_reduced": "AgH10Rh(N3O5)2",
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"energy": -660.81027111,
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"spacegroup": 14
},
{
"id": "mp-1204360",
"created_at": "2022-09-04T14:41:30.005168Z",
"structure_string": "Pr6 Co18 P12\n1.0\n3.774579 0.000000 0.000000\n0.000000 10.680671 0.000000\n0.000000 0.000000 12.409733\nPr Co P\n6 18 12\ndirect\n0.000000 0.500000 0.521768 Pr\n0.500000 0.000000 0.478232 Pr\n0.500000 0.815980 0.206028 Pr\n0.500000 0.184020 0.206028 Pr\n0.000000 0.684020 0.793972 Pr\n0.000000 0.315980 0.793972 Pr\n0.500000 0.500000 0.157837 Co\n0.000000 0.000000 0.842163 Co\n0.500000 0.500000 0.705448 Co\n0.000000 0.000000 0.294552 Co\n0.000000 0.500000 0.987051 Co\n0.500000 0.000000 0.012949 Co\n0.500000 0.333485 0.996407 Co\n0.500000 0.666515 0.996407 Co\n0.000000 0.166515 0.003593 Co\n0.000000 0.833485 0.003593 Co\n0.500000 0.296815 0.430581 Co\n0.500000 0.703185 0.430581 Co\n0.000000 0.203185 0.569419 Co\n0.000000 0.796815 0.569419 Co\n0.500000 0.882421 0.710167 Co\n0.500000 0.117579 0.710167 Co\n0.000000 0.617579 0.289833 Co\n0.000000 0.382421 0.289833 Co\n0.500000 0.500000 0.887050 P\n0.000000 0.000000 0.112950 P\n0.500000 0.500000 0.338788 P\n0.000000 0.000000 0.661212 P\n0.500000 0.304682 0.613937 P\n0.500000 0.695318 0.613937 P\n0.000000 0.195318 0.386063 P\n0.000000 0.804682 0.386063 P\n0.500000 0.849287 0.895985 P\n0.500000 0.150713 0.895985 P\n0.000000 0.650713 0.104015 P\n0.000000 0.349287 0.104015 P\n",
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"density": 7.560659878905785,
"density_atomic": 0.07195699297685851,
"volume": 500.29883838500115,
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{
"id": "mp-1204233",
"created_at": "2022-09-04T14:41:30.021668Z",
"structure_string": "Mn4 Zn4 Br16 O24\n1.0\n0.000000 0.000000 5.450666\n14.109043 0.000000 0.000000\n0.000000 13.963864 0.000000\nMn Zn Br O\n4 4 16 24\ndirect\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.700040 0.194756 Zn\n0.000000 0.299960 0.805244 Zn\n0.000000 0.200040 0.305244 Zn\n0.000000 0.799960 0.694756 Zn\n0.000000 0.928870 0.116151 Br\n0.000000 0.071130 0.883849 Br\n0.000000 0.428870 0.383849 Br\n0.000000 0.571130 0.616151 Br\n0.000000 0.643956 0.043184 Br\n0.000000 0.356044 0.956816 Br\n0.000000 0.143956 0.456816 Br\n0.000000 0.856044 0.543184 Br\n0.257340 0.758095 0.318137 Br\n0.257340 0.241905 0.681863 Br\n0.742660 0.258095 0.181863 Br\n0.742660 0.741905 0.818137 Br\n0.742660 0.241905 0.681863 Br\n0.742660 0.758095 0.318137 Br\n0.257340 0.741905 0.818137 Br\n0.257340 0.258095 0.181863 Br\n0.500000 0.945481 0.891596 O\n0.500000 0.054519 0.108404 O\n0.500000 0.445481 0.608404 O\n0.500000 0.554519 0.391596 O\n0.249740 0.905026 0.041026 O\n0.249740 0.094974 0.958974 O\n0.750260 0.405026 0.458974 O\n0.750260 0.594974 0.541026 O\n0.750260 0.094974 0.958974 O\n0.750260 0.905026 0.041026 O\n0.249740 0.594974 0.541026 O\n0.249740 0.405026 0.458974 O\n0.500000 0.373858 0.953029 O\n0.500000 0.626142 0.046971 O\n0.500000 0.873858 0.546971 O\n0.500000 0.126142 0.453029 O\n0.308384 0.513809 0.888344 O\n0.308384 0.486191 0.111656 O\n0.691616 0.013809 0.611656 O\n0.691616 0.986191 0.388344 O\n0.691616 0.486191 0.111656 O\n0.691616 0.513809 0.888344 O\n0.308384 0.986191 0.388344 O\n0.308384 0.013809 0.611656 O\n",
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{
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"structure_string": "Pt4 C16 I16 N4\n1.0\n-5.986184 7.774413 8.029394\n5.986184 -7.774413 8.029394\n5.986184 7.774413 -8.029394\nPt C I N\n4 16 16 4\ndirect\n0.196086 0.595547 0.291633 Pt\n0.696086 0.404453 0.600539 Pt\n0.798443 0.099584 0.398027 Pt\n0.298443 0.900416 0.698859 Pt\n0.533642 0.291079 0.127304 C\n0.836225 0.708921 0.242563 C\n0.336225 0.093662 0.127304 C\n0.033642 0.906338 0.242563 C\n0.747445 0.611673 0.217463 C\n0.605790 0.388327 0.135772 C\n0.105790 0.970018 0.217463 C\n0.247445 0.029982 0.135772 C\n0.384329 0.619889 0.849961 C\n0.230071 0.380111 0.764440 C\n0.730071 0.965632 0.849961 C\n0.884329 0.034368 0.764440 C\n0.256036 0.573178 0.773825 C\n0.200647 0.426822 0.682858 C\n0.700647 0.017789 0.773825 C\n0.756036 0.982211 0.682858 C\n0.643814 0.188282 0.332096 I\n0.143814 0.811718 0.455532 I\n0.353860 0.693652 0.547511 I\n0.853860 0.306348 0.660208 I\n0.035465 0.518459 0.053924 I\n0.535465 0.481541 0.517006 I\n0.763608 0.608624 0.872232 I\n0.263608 0.391376 0.154984 I\n0.361258 0.756332 0.285338 I\n0.529006 0.243668 0.604925 I\n0.029006 0.424081 0.285338 I\n0.861258 0.575919 0.604925 I\n0.233079 0.098599 0.831678 I\n0.733079 0.901401 0.134480 I\n0.949195 0.011521 0.460716 I\n0.449195 0.988479 0.937675 I\n0.675683 0.500000 0.175683 N\n0.175683 0.000000 0.175683 N\n0.328517 0.500000 0.828517 N\n0.828517 0.000000 0.828517 N\n",
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{
"id": "mp-1192277",
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"structure_string": "Mn2 C10 I2 O10\n1.0\n3.820447 -5.583664 0.000000\n3.820447 5.583664 0.000000\n0.000000 0.000000 11.007568\nMn C I O\n2 10 2 10\ndirect\n0.144754 0.855246 0.250000 Mn\n0.855246 0.144754 0.750000 Mn\n0.309591 0.690409 0.250000 C\n0.690409 0.309591 0.750000 C\n0.309498 0.042144 0.369110 C\n0.042144 0.309498 0.630890 C\n0.309498 0.042144 0.130890 C\n0.042144 0.309498 0.869110 C\n0.690502 0.957856 0.630890 C\n0.957856 0.690502 0.369110 C\n0.690502 0.957856 0.869110 C\n0.957856 0.690502 0.130890 C\n0.897910 0.102090 0.250000 I\n0.102090 0.897910 0.750000 I\n0.413009 0.586991 0.250000 O\n0.586991 0.413009 0.750000 O\n0.411265 0.160249 0.440345 O\n0.160249 0.411265 0.559655 O\n0.411265 0.160249 0.059655 O\n0.160249 0.411265 0.940345 O\n0.588735 0.839751 0.559655 O\n0.839751 0.588735 0.440345 O\n0.588735 0.839751 0.940345 O\n0.839751 0.588735 0.059655 O\n",
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{
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