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{
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{
"id": "mp-1208959",
"created_at": "2022-09-04T14:45:05.177273Z",
"structure_string": "Sm12 Ge8 Rh8\n1.0\n5.651319 0.000000 0.000000\n0.000000 8.068310 0.000000\n0.000000 0.000000 13.391608\nSm Ge Rh\n12 8 8\ndirect\n0.143745 0.398534 0.101171 Sm\n0.856255 0.601466 0.898829 Sm\n0.856255 0.601466 0.601171 Sm\n0.856255 0.898534 0.398829 Sm\n0.143745 0.398534 0.398829 Sm\n0.143745 0.101466 0.601171 Sm\n0.143745 0.101466 0.898829 Sm\n0.856255 0.898534 0.101171 Sm\n0.635413 0.259083 0.250000 Sm\n0.364587 0.740917 0.750000 Sm\n0.364587 0.759083 0.250000 Sm\n0.635413 0.240917 0.750000 Sm\n0.141964 0.113232 0.250000 Ge\n0.858036 0.886768 0.750000 Ge\n0.858036 0.613232 0.250000 Ge\n0.141964 0.386768 0.750000 Ge\n0.638854 0.250000 0.000000 Ge\n0.361146 0.750000 0.000000 Ge\n0.361146 0.750000 0.500000 Ge\n0.638854 0.250000 0.500000 Ge\n0.370744 0.035187 0.092251 Rh\n0.629256 0.964813 0.907749 Rh\n0.629256 0.964813 0.592251 Rh\n0.629256 0.535187 0.407749 Rh\n0.370744 0.035187 0.407749 Rh\n0.370744 0.464813 0.592251 Rh\n0.370744 0.464813 0.907749 Rh\n0.629256 0.535187 0.092251 Rh\n",
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{
"id": "mp-1196451",
"created_at": "2022-09-04T14:45:05.192675Z",
"structure_string": "Ga6 Sb14 S16 Cl28\n1.0\n12.297628 0.000000 0.000000\n0.000000 8.999599 0.000000\n0.000000 0.949974 17.442735\nGa Sb S Cl\n6 14 16 28\ndirect\n0.142716 0.720005 0.963209 Ga\n0.642716 0.279995 0.036791 Ga\n0.619312 0.766831 0.735771 Ga\n0.119312 0.233169 0.264229 Ga\n0.131954 0.733936 0.529999 Ga\n0.631954 0.266064 0.470001 Ga\n0.130776 0.314998 0.755276 Sb\n0.630776 0.685002 0.244724 Sb\n0.924742 0.046716 0.852720 Sb\n0.424742 0.953284 0.147280 Sb\n0.856841 0.437574 0.849211 Sb\n0.356841 0.562426 0.150789 Sb\n0.849606 0.249035 0.655549 Sb\n0.349606 0.750965 0.344451 Sb\n0.403598 0.427938 0.656071 Sb\n0.903598 0.572062 0.343929 Sb\n0.335544 0.037886 0.675492 Sb\n0.835544 0.962114 0.324508 Sb\n0.415171 0.243781 0.859300 Sb\n0.915171 0.756219 0.140700 Sb\n0.009557 0.087472 0.717314 S\n0.509557 0.912528 0.282686 S\n0.759838 0.200587 0.825951 S\n0.259838 0.799413 0.174049 S\n0.021629 0.278031 0.893179 S\n0.521629 0.721969 0.106821 S\n0.922518 0.476190 0.712990 S\n0.422518 0.523810 0.287010 S\n0.240455 0.267921 0.619485 S\n0.740455 0.732079 0.380515 S\n0.500774 0.189424 0.692980 S\n0.000774 0.810576 0.307020 S\n0.252973 0.088084 0.809221 S\n0.752973 0.911916 0.190779 S\n0.339877 0.472542 0.790509 S\n0.839877 0.527458 0.209491 S\n0.309005 0.277633 0.973981 Cl\n0.809005 0.722367 0.026019 Cl\n0.964111 0.305217 0.546581 Cl\n0.464111 0.694783 0.453419 Cl\n0.320288 0.714101 0.961985 Cl\n0.820288 0.285899 0.038015 Cl\n0.079791 0.546010 0.045764 Cl\n0.579791 0.453990 0.954236 Cl\n0.088148 0.940962 0.997735 Cl\n0.588148 0.059038 0.002265 Cl\n0.073524 0.683561 0.847846 Cl\n0.573524 0.316439 0.152154 Cl\n0.630458 0.518970 0.753431 Cl\n0.130458 0.481030 0.246569 Cl\n0.541735 0.811751 0.624310 Cl\n0.041735 0.188249 0.375690 Cl\n0.789695 0.847755 0.737376 Cl\n0.289695 0.152245 0.262624 Cl\n0.518437 0.861107 0.824321 Cl\n0.018437 0.138893 0.175679 Cl\n0.189612 0.661678 0.648038 Cl\n0.689612 0.338322 0.351962 Cl\n0.955931 0.763167 0.528843 Cl\n0.455931 0.236833 0.471157 Cl\n0.178616 0.560353 0.450368 Cl\n0.678616 0.439647 0.549632 Cl\n0.220717 0.940616 0.497995 Cl\n0.720717 0.059384 0.502005 Cl\n",
"nsites": 64,
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"elements": [
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"S",
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"chemical_system": "Cl-Ga-S-Sb",
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"volume": 1930.4523807824203,
"volume_molar": 18.164774949295087,
"formula_full": "Ga6 Sb14 S16 Cl28",
"formula_reduced": "Ga3Sb7(S4Cl7)2",
"formula_anonymous": "A3B7C8D14",
"energy": -265.65115476,
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"spacegroup": 4
},
{
"id": "mp-11788",
"created_at": "2022-09-04T14:45:05.358990Z",
"structure_string": "Yb2 Sm2 Se6\n1.0\n2.037014 -7.217501 0.000000\n2.037014 7.217501 0.000000\n0.000000 0.000000 9.260563\nYb Sm Se\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.248302 0.751698 0.750000 Sm\n0.751698 0.248302 0.250000 Sm\n0.111280 0.888720 0.250000 Se\n0.888720 0.111280 0.750000 Se\n0.642776 0.357224 0.576049 Se\n0.357224 0.642776 0.423951 Se\n0.642776 0.357224 0.923951 Se\n0.357224 0.642776 0.076049 Se\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Se-Sm-Yb",
"density": 6.833386105567229,
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"volume": 272.3003834004546,
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"formula_full": "Yb2 Sm2 Se6",
"formula_reduced": "YbSmSe3",
"formula_anonymous": "ABC3",
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"spacegroup": 63
},
{
"id": "mp-677269",
"created_at": "2022-09-04T14:45:05.529142Z",
"structure_string": "Ca16 Zr9 Ta7 N7 O41\n1.0\n5.616877 0.000000 0.000000\n0.008765 5.786477 0.000000\n0.072986 0.018322 32.189350\nCa Zr Ta N O\n16 9 7 7 41\ndirect\n0.017266 0.043917 0.061779 Ca\n0.009859 0.042294 0.312858 Ca\n0.017269 0.043771 0.564755 Ca\n0.015628 0.040751 0.814611 Ca\n0.480452 0.548106 0.062278 Ca\n0.486595 0.553015 0.312951 Ca\n0.481788 0.549492 0.814124 Ca\n0.487467 0.542103 0.565777 Ca\n0.503632 0.466496 0.438718 Ca\n0.508125 0.453785 0.186852 Ca\n0.505002 0.449954 0.685324 Ca\n0.506394 0.454963 0.935515 Ca\n0.987063 0.942833 0.187146 Ca\n0.976995 0.942184 0.438197 Ca\n0.985549 0.943471 0.686363 Ca\n0.992003 0.944090 0.934856 Ca\n0.501763 0.002472 0.125341 Zr\n0.994191 0.498522 0.122914 Zr\n0.993410 0.498951 0.000913 Zr\n0.996688 0.498687 0.251118 Zr\n0.994732 0.497035 0.373248 Zr\n0.995612 0.500177 0.624485 Zr\n0.994141 0.497791 0.873258 Zr\n0.993264 0.496786 0.751539 Zr\n0.994745 0.497939 0.502840 Zr\n0.490113 0.003802 0.379740 Ta\n0.513323 0.987124 0.625049 Ta\n0.516398 0.010324 0.874951 Ta\n0.503322 0.999932 0.998850 Ta\n0.501429 0.002732 0.250738 Ta\n0.498308 0.000626 0.749059 Ta\n0.495323 0.004205 0.498449 Ta\n0.404872 0.025619 0.437687 N\n0.694976 0.716341 0.638202 N\n0.786002 0.195350 0.888285 N\n0.893424 0.459113 0.061748 N\n0.898539 0.464131 0.312319 N\n0.897496 0.468682 0.811667 N\n0.900478 0.458669 0.562271 N\n0.109706 0.544046 0.188239 O\n0.102894 0.541538 0.437159 O\n0.108416 0.543247 0.687839 O\n0.106439 0.541610 0.937746 O\n0.219361 0.800527 0.012414 O\n0.217242 0.804457 0.263205 O\n0.218702 0.804901 0.513240 O\n0.202013 0.804821 0.111152 O\n0.219111 0.801629 0.361493 O\n0.217757 0.804272 0.762327 O\n0.214243 0.807704 0.612415 O\n0.212103 0.800798 0.862359 O\n0.306213 0.279150 0.011958 O\n0.309610 0.285695 0.263241 O\n0.311871 0.288923 0.512154 O\n0.308582 0.282829 0.762711 O\n0.309313 0.284465 0.361889 O\n0.309430 0.300975 0.112005 O\n0.306317 0.288201 0.614077 O\n0.302559 0.281207 0.862425 O\n0.398754 0.036236 0.190206 O\n0.402584 0.030766 0.688848 O\n0.403498 0.029298 0.937961 O\n0.600856 0.965391 0.059272 O\n0.592591 0.969787 0.811674 O\n0.597163 0.969303 0.310444 O\n0.593911 0.976803 0.562673 O\n0.698059 0.706258 0.140367 O\n0.694791 0.717899 0.236400 O\n0.694713 0.720080 0.736199 O\n0.700825 0.722689 0.486632 O\n0.695827 0.716636 0.387514 O\n0.694169 0.716109 0.984903 O\n0.689252 0.713055 0.888202 O\n0.787939 0.194631 0.236316 O\n0.784247 0.195210 0.735208 O\n0.785354 0.199351 0.485606 O\n0.785515 0.193482 0.985028 O\n0.800720 0.199058 0.141692 O\n0.788833 0.192350 0.388071 O\n0.784882 0.198377 0.639963 O\n",
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"formula_full": "Ca16 Zr9 Ta7 N7 O41",
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{
"id": "mp-679983",
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"structure_string": "Cs4 P16 N28\n1.0\n4.757539 0.000000 0.000000\n0.000000 10.095456 0.000000\n0.000000 0.000000 12.546916\nCs P N\n4 16 28\ndirect\n0.726078 0.856697 0.250000 Cs\n0.773922 0.356697 0.250000 Cs\n0.273922 0.143303 0.750000 Cs\n0.226078 0.643303 0.750000 Cs\n0.215839 0.588438 0.129256 P\n0.284161 0.088438 0.370744 P\n0.784161 0.411562 0.629256 P\n0.715839 0.911562 0.870744 P\n0.784161 0.411562 0.870744 P\n0.715839 0.911562 0.629256 P\n0.215839 0.588438 0.370744 P\n0.284161 0.088438 0.129256 P\n0.227413 0.841593 0.999467 P\n0.272587 0.341593 0.500533 P\n0.772587 0.158407 0.499467 P\n0.727413 0.658407 0.000533 P\n0.772587 0.158407 0.000533 P\n0.727413 0.658407 0.499467 P\n0.227413 0.841593 0.500533 P\n0.272587 0.341593 0.999467 P\n0.296804 0.619817 0.250000 N\n0.203196 0.119817 0.250000 N\n0.703196 0.380183 0.750000 N\n0.796804 0.880183 0.750000 N\n0.890818 0.620333 0.106189 N\n0.609182 0.120333 0.393811 N\n0.109182 0.379667 0.606189 N\n0.390818 0.879667 0.893811 N\n0.109182 0.379667 0.893811 N\n0.390818 0.879667 0.606189 N\n0.890818 0.620333 0.393811 N\n0.609182 0.120333 0.106189 N\n0.189385 0.941174 0.096030 N\n0.310615 0.441174 0.403970 N\n0.810615 0.058826 0.596030 N\n0.689385 0.558826 0.903970 N\n0.810615 0.058826 0.903970 N\n0.689385 0.558826 0.596030 N\n0.189385 0.941174 0.403970 N\n0.310615 0.441174 0.096030 N\n0.391207 0.700089 0.044937 N\n0.108793 0.200089 0.455063 N\n0.608793 0.299911 0.544937 N\n0.891207 0.799911 0.955063 N\n0.608793 0.299911 0.955063 N\n0.891207 0.799911 0.544937 N\n0.391207 0.700089 0.455063 N\n0.108793 0.200089 0.044937 N\n",
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{
"id": "mp-15795",
"created_at": "2022-09-04T14:45:05.701256Z",
"structure_string": "Li1 Dy1 Se2\n1.0\n6.609508 -2.034433 0.000000\n6.609508 2.034433 0.000000\n5.983301 0.000000 3.467654\nLi Dy Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.249006 0.249006 0.249006 Se\n0.750994 0.750994 0.750994 Se\n",
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"formula_full": "Li1 Dy1 Se2",
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{
"id": "mp-1174842",
"created_at": "2022-09-04T14:45:05.808003Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.445683 16.988707 0.000000\n-1.445683 16.988707 0.000000\n0.000000 0.303416 5.179915\nLi Mn Co O\n8 2 4 14\ndirect\n0.502291 0.502291 0.496533 Li\n0.929882 0.929882 0.366001 Li\n0.360260 0.360260 0.219565 Li\n0.784396 0.784396 0.071183 Li\n0.210282 0.210282 0.930525 Li\n0.074707 0.074707 0.651649 Li\n0.641099 0.641099 0.772810 Li\n0.570108 0.570108 0.149332 Li\n0.001718 0.001718 0.007235 Mn\n0.286275 0.286275 0.567335 Mn\n0.428036 0.428036 0.864248 Co\n0.858488 0.858488 0.719971 Co\n0.711811 0.711811 0.424700 Co\n0.137833 0.137833 0.262292 Co\n0.530798 0.530798 0.838254 O\n0.963041 0.963041 0.710431 O\n0.391988 0.391988 0.561912 O\n0.817096 0.817096 0.402721 O\n0.250880 0.250880 0.281039 O\n0.109405 0.109405 0.966912 O\n0.678311 0.678311 0.125796 O\n0.467176 0.467176 0.155097 O\n0.894118 0.894118 0.039353 O\n0.321101 0.321101 0.852889 O\n0.755166 0.755166 0.729138 O\n0.183071 0.183071 0.591611 O\n0.031362 0.031362 0.290102 O\n0.609301 0.609301 0.451365 O\n",
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{
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