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{
"id": "mp-1112516",
"created_at": "2022-09-04T14:40:25.629549Z",
"structure_string": "Cs2 Rb1 Gd1 Cl6\n1.0\n0.000000 5.812840 5.812840\n5.812840 0.000000 5.812840\n5.812840 5.812840 0.000000\nCs Rb Gd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Gd\n0.770167 0.229833 0.229833 Cl\n0.229833 0.229833 0.770167 Cl\n0.229833 0.770167 0.770167 Cl\n0.229833 0.770167 0.229833 Cl\n0.770167 0.229833 0.770167 Cl\n0.770167 0.770167 0.229833 Cl\n",
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{
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"structure_string": "Cs2 Te14 Mo12\n1.0\n9.063882 -5.257627 0.000000\n9.063882 5.257627 0.000000\n6.014125 0.000000 8.580612\nCs Te Mo\n2 14 12\ndirect\n0.620008 0.620008 0.620008 Cs\n0.379993 0.379993 0.379993 Cs\n0.424552 0.804070 0.163639 Te\n0.163639 0.424552 0.804070 Te\n0.804070 0.163639 0.424552 Te\n0.575448 0.195930 0.836361 Te\n0.836361 0.575448 0.195930 Te\n0.195930 0.836361 0.575448 Te\n0.632120 0.980928 0.245257 Te\n0.245257 0.632120 0.980928 Te\n0.980928 0.245257 0.632120 Te\n0.367880 0.019072 0.754743 Te\n0.754743 0.367880 0.019072 Te\n0.019072 0.754743 0.367880 Te\n0.775511 0.775511 0.775511 Te\n0.224489 0.224489 0.224489 Te\n0.710874 0.881232 0.000501 Mo\n0.000501 0.710874 0.881232 Mo\n0.881232 0.000501 0.710874 Mo\n0.289126 0.118768 0.999499 Mo\n0.999499 0.289126 0.118768 Mo\n0.118768 0.999499 0.289126 Mo\n0.943865 0.813767 0.109269 Mo\n0.109269 0.943865 0.813767 Mo\n0.813767 0.109269 0.943865 Mo\n0.056135 0.186233 0.890731 Mo\n0.890731 0.056135 0.186233 Mo\n0.186233 0.890731 0.056135 Mo\n",
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},
{
"id": "mp-1097438",
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"structure_string": "Hf2 Fe1 Co1\n1.0\n-4.489832 6.631018 9.382663\n4.489832 -6.631018 9.382663\n4.489832 6.631018 -9.382663\nHf Fe Co\n2 1 1\ndirect\n0.000000 0.249629 0.249629 Hf\n0.000000 0.750371 0.750371 Hf\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Co\n",
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"volume": 1117.3684564871087,
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{
"id": "mp-505366",
"created_at": "2022-09-04T14:40:25.623029Z",
"structure_string": "Au4 Br4\n1.0\n4.379780 0.000000 0.000000\n0.000000 4.379780 0.000000\n0.000000 0.000000 13.297405\nAu Br\n4 4\ndirect\n0.250000 0.750000 0.750000 Au\n0.750000 0.750000 0.250000 Au\n0.250000 0.250000 0.250000 Au\n0.750000 0.250000 0.750000 Au\n0.500000 0.000000 0.896803 Br\n0.500000 0.000000 0.396803 Br\n0.000000 0.500000 0.103197 Br\n0.000000 0.500000 0.603197 Br\n",
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{
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"structure_string": "P8 H76 C24 I8 N4 Cl16\n1.0\n11.149847 0.000000 0.000000\n0.000000 12.560099 0.000000\n0.000000 5.826021 14.290845\nP H C I N Cl\n8 76 24 8 4 16\ndirect\n0.749417 0.896359 0.162475 P\n0.250583 0.103641 0.837525 P\n0.617310 0.683955 0.152976 P\n0.750583 0.896359 0.662475 P\n0.882690 0.683955 0.652976 P\n0.382690 0.316045 0.847024 P\n0.117310 0.316045 0.347024 P\n0.249417 0.103641 0.337525 P\n0.194507 0.340863 0.914318 H\n0.738862 0.528012 0.161924 H\n0.978354 0.600932 0.554634 H\n0.862913 0.897559 0.292037 H\n0.445328 0.133922 0.870629 H\n0.654983 0.753918 0.796579 H\n0.558586 0.277005 0.943105 H\n0.086993 0.387780 0.181421 H\n0.382405 0.969824 0.810196 H\n0.150797 0.931125 0.432920 H\n0.739741 0.092216 0.643600 H\n0.160479 0.059111 0.987496 H\n0.029273 0.483040 0.233554 H\n0.021646 0.399068 0.445366 H\n0.423079 0.257032 0.010695 H\n0.058586 0.722995 0.556895 H\n0.916793 0.824255 0.100881 H\n0.154983 0.246082 0.703421 H\n0.970727 0.516960 0.766446 H\n0.436732 0.031411 0.405696 H\n0.054672 0.133922 0.370629 H\n0.051684 0.646413 0.754486 H\n0.305493 0.340863 0.414318 H\n0.239741 0.907784 0.856400 H\n0.849203 0.068875 0.567080 H\n0.554672 0.866078 0.129371 H\n0.882405 0.030176 0.689804 H\n0.845017 0.753918 0.296579 H\n0.076921 0.257032 0.510695 H\n0.083207 0.175745 0.899119 H\n0.345017 0.246082 0.203421 H\n0.941414 0.277005 0.443105 H\n0.760259 0.092216 0.143600 H\n0.936732 0.968589 0.094304 H\n0.721521 0.825402 0.327792 H\n0.278479 0.174598 0.672208 H\n0.650797 0.068875 0.067080 H\n0.923079 0.742968 0.489305 H\n0.913007 0.612220 0.818579 H\n0.260259 0.907784 0.356400 H\n0.948316 0.353587 0.245514 H\n0.362913 0.102441 0.207963 H\n0.583207 0.824255 0.600881 H\n0.470727 0.483040 0.733554 H\n0.586993 0.612220 0.318579 H\n0.529273 0.516960 0.266446 H\n0.805493 0.659137 0.085682 H\n0.349203 0.931125 0.932920 H\n0.416793 0.175745 0.399119 H\n0.815425 0.616596 0.211532 H\n0.660479 0.940889 0.512504 H\n0.137087 0.102441 0.707963 H\n0.441414 0.722995 0.056895 H\n0.563268 0.968589 0.594304 H\n0.945328 0.866078 0.629371 H\n0.413007 0.387780 0.681421 H\n0.448316 0.646413 0.254486 H\n0.261138 0.471988 0.838076 H\n0.839521 0.940889 0.012504 H\n0.238862 0.471988 0.338076 H\n0.478354 0.399068 0.945366 H\n0.339521 0.059111 0.487496 H\n0.063268 0.031411 0.905696 H\n0.761138 0.528012 0.661924 H\n0.521646 0.600932 0.054634 H\n0.684575 0.616596 0.711532 H\n0.315425 0.383404 0.288468 H\n0.778479 0.825402 0.827792 H\n0.694507 0.659137 0.585682 H\n0.221521 0.174598 0.172208 H\n0.637087 0.897559 0.792037 H\n0.117595 0.969824 0.310196 H\n0.617595 0.030176 0.189804 H\n0.184575 0.383404 0.788468 H\n0.576921 0.742968 0.989305 H\n0.551684 0.353587 0.745514 H\n0.812377 0.035707 0.638340 C\n0.037512 0.392566 0.241434 C\n0.531096 0.688488 0.053693 C\n0.799390 0.836523 0.281362 C\n0.740859 0.617400 0.652834 C\n0.259141 0.382600 0.347166 C\n0.962488 0.607434 0.758566 C\n0.031096 0.311512 0.446307 C\n0.687623 0.035707 0.138340 C\n0.872223 0.907348 0.084962 C\n0.968904 0.688488 0.553693 C\n0.200610 0.163477 0.718638 C\n0.127777 0.092652 0.915038 C\n0.759141 0.617400 0.152834 C\n0.187623 0.964293 0.361660 C\n0.537512 0.607434 0.258566 C\n0.240859 0.382600 0.847166 C\n0.299390 0.163477 0.218638 C\n0.627777 0.907348 0.584962 C\n0.462488 0.392566 0.741434 C\n0.312377 0.964293 0.861660 C\n0.372223 0.092652 0.415038 C\n0.468904 0.311512 0.946307 C\n0.700610 0.836523 0.781362 C\n0.218306 0.801598 0.191320 I\n0.781694 0.198402 0.808680 I\n0.140003 0.647255 0.980556 I\n0.640003 0.352745 0.519444 I\n0.718306 0.198402 0.308680 I\n0.859997 0.352745 0.019444 I\n0.281694 0.801598 0.691320 I\n0.359997 0.647255 0.480556 I\n0.136112 0.179040 0.357732 N\n0.863888 0.820960 0.642268 N\n0.636112 0.820960 0.142268 N\n0.363888 0.179040 0.857732 N\n0.384479 0.951601 0.100717 Cl\n0.718824 0.520634 0.935141 Cl\n0.999104 0.820826 0.893657 Cl\n0.281176 0.479366 0.064859 Cl\n0.440502 0.660592 0.781540 Cl\n0.059498 0.660592 0.281540 Cl\n0.500896 0.820826 0.393657 Cl\n0.615521 0.048399 0.899283 Cl\n0.000896 0.179174 0.106343 Cl\n0.559498 0.339408 0.218460 Cl\n0.499104 0.179174 0.606343 Cl\n0.781176 0.520634 0.435141 Cl\n0.940502 0.339408 0.718460 Cl\n0.884479 0.048399 0.399283 Cl\n0.218824 0.479366 0.564859 Cl\n0.115521 0.951601 0.600717 Cl\n",
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"formula_full": "P8 H76 C24 I8 N4 Cl16",
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{
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{
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{
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"structure_string": "Sr6 Nd2 Ta2 Al6 O24\n1.0\n5.476324 0.000000 0.000000\n0.015408 9.509813 0.000000\n0.010676 3.160647 8.973414\nSr Nd Ta Al O\n6 2 2 6 24\ndirect\n0.502106 0.392784 0.377299 Sr\n0.998348 0.384756 0.865637 Sr\n0.500635 0.869638 0.888853 Sr\n0.498963 0.122734 0.105212 Sr\n0.001333 0.634933 0.117175 Sr\n0.498030 0.611036 0.632407 Sr\n0.000049 0.848294 0.365638 Nd\n0.000474 0.137141 0.648003 Nd\n0.998272 0.255551 0.240743 Ta\n0.500426 0.992123 0.506642 Ta\n0.501106 0.746218 0.248587 Al\n0.499126 0.255212 0.750957 Al\n0.004171 0.748559 0.754805 Al\n0.000275 0.998004 0.999268 Al\n0.501994 0.506194 0.996052 Al\n0.999977 0.499429 0.504114 Al\n0.273576 0.372463 0.136701 O\n0.758260 0.878164 0.137774 O\n0.757331 0.372362 0.630183 O\n0.269007 0.867104 0.646504 O\n0.204165 0.091865 0.383809 O\n0.755249 0.621718 0.373335 O\n0.749470 0.119857 0.865326 O\n0.240221 0.616967 0.880545 O\n0.001353 0.133824 0.108300 O\n0.500962 0.631548 0.119897 O\n0.495857 0.140178 0.611961 O\n0.999694 0.639310 0.614033 O\n0.710869 0.130131 0.348992 O\n0.241210 0.624864 0.371503 O\n0.244567 0.121986 0.862991 O\n0.741374 0.632788 0.865082 O\n0.001027 0.356575 0.393882 O\n0.503548 0.855045 0.388540 O\n0.500990 0.371742 0.880590 O\n0.999920 0.873349 0.879303 O\n0.761304 0.392641 0.117468 O\n0.248426 0.880127 0.135262 O\n0.246338 0.375744 0.628765 O\n0.789998 0.897043 0.617861 O\n",
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},
{
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"structure_string": "Zr2 Co1 Cu1 Sn2\n1.0\n-2.195187 -3.802209 -0.000096\n-4.390362 -0.000007 -0.000003\n-0.000005 -0.000175 -6.835844\nZr Co Cu Sn\n2 1 1 2\ndirect\n0.000019 0.999991 0.496882 Zr\n0.999986 0.000005 0.978538 Zr\n0.666657 0.666670 0.835556 Co\n0.333333 0.333336 0.323193 Cu\n0.666655 0.666673 0.226058 Sn\n0.333349 0.333325 0.735774 Sn\n",
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]
}