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{
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{
"id": "mp-23910",
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"structure_string": "Cr4 H4 O8\n1.0\n-1.608091 2.601446 0.003695\n-1.297531 -2.601232 0.949976\n5.401709 5.168112 16.463412\nCr H O\n4 4 8\ndirect\n0.499408 0.500599 0.501601 Cr\n0.748960 0.250441 0.751855 Cr\n0.999336 0.000811 0.001607 Cr\n0.250016 0.750378 0.251469 Cr\n0.872366 0.127911 0.384083 H\n0.121693 0.878034 0.634341 H\n0.371688 0.628073 0.884285 H\n0.622341 0.377991 0.134057 H\n0.898220 0.102624 0.305295 O\n0.147778 0.852078 0.555393 O\n0.397115 0.602028 0.805648 O\n0.647446 0.352698 0.055398 O\n0.852775 0.147053 0.443702 O\n0.101999 0.897659 0.693923 O\n0.352221 0.647839 0.943896 O\n0.603238 0.397182 0.193652 O\n",
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{
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"structure_string": "Li6 Co2 O4 F2\n1.0\n5.187009 -0.355374 0.072692\n0.050119 5.359695 0.108326\n-0.095691 -2.770565 5.199111\nLi Co O F\n6 2 4 2\ndirect\n0.067526 0.232159 0.513126 Li\n0.932301 0.768160 0.487316 Li\n0.149623 0.800271 0.003928 Li\n0.850277 0.199694 0.996082 Li\n0.401208 0.985033 0.698156 Li\n0.599015 0.015091 0.301824 Li\n0.616558 0.474654 0.693117 Co\n0.383487 0.525224 0.306862 Co\n0.252766 0.874036 0.341766 O\n0.747202 0.125846 0.658678 O\n0.272617 0.586406 0.659569 O\n0.727324 0.413249 0.340095 O\n0.220183 0.184162 0.005018 F\n0.779914 0.816013 0.994463 F\n",
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"spacegroup": 2
},
{
"id": "mp-1520510",
"created_at": "2022-09-04T14:42:02.795850Z",
"structure_string": "Ba2 Sm1 Bi1 O6\n1.0\n-0.000000 -4.405922 -4.405922\n4.405922 -0.000000 -4.405922\n4.405922 -4.405922 0.000000\nBa Sm Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sm\n0.000000 -0.000000 0.000000 Bi\n0.758570 0.241430 0.241430 O\n0.241430 0.758570 0.758570 O\n0.758570 0.241430 0.758570 O\n0.241430 0.758570 0.241430 O\n0.758570 0.758570 0.241430 O\n0.241430 0.241430 0.758570 O\n",
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"density": 7.086406731164296,
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"updated_at": "2021-11-28T01:35:39.887000Z",
"spacegroup": 225
},
{
"id": "mp-14753",
"created_at": "2022-09-04T14:42:03.512897Z",
"structure_string": "Li56 Ta8 N32\n1.0\n9.851578 0.000000 0.000000\n0.000000 9.851578 0.000000\n0.000000 0.000000 9.851578\nLi Ta N\n56 8 32\ndirect\n0.868518 0.360232 0.384179 Li\n0.368518 0.139768 0.615821 Li\n0.131482 0.860232 0.115821 Li\n0.139768 0.615821 0.368518 Li\n0.115821 0.131482 0.860232 Li\n0.615821 0.368518 0.139768 Li\n0.360232 0.384179 0.868518 Li\n0.384179 0.868518 0.360232 Li\n0.860232 0.115821 0.131482 Li\n0.639768 0.884179 0.631482 Li\n0.884179 0.631482 0.639768 Li\n0.631482 0.639768 0.884179 Li\n0.131482 0.639768 0.615821 Li\n0.631482 0.860232 0.384179 Li\n0.868518 0.139768 0.884179 Li\n0.860232 0.384179 0.631482 Li\n0.884179 0.868518 0.139768 Li\n0.384179 0.631482 0.860232 Li\n0.639768 0.615821 0.131482 Li\n0.615821 0.131482 0.639768 Li\n0.139768 0.884179 0.868518 Li\n0.360232 0.115821 0.368518 Li\n0.115821 0.368518 0.360232 Li\n0.867560 0.620123 0.099347 Li\n0.368518 0.360232 0.115821 Li\n0.120123 0.099347 0.632440 Li\n0.379877 0.900653 0.132440 Li\n0.099347 0.632440 0.120123 Li\n0.132440 0.379877 0.900653 Li\n0.632440 0.120123 0.099347 Li\n0.400653 0.367560 0.620123 Li\n0.367560 0.620123 0.400653 Li\n0.900653 0.132440 0.379877 Li\n0.599347 0.867560 0.879877 Li\n0.867560 0.879877 0.599347 Li\n0.879877 0.599347 0.867560 Li\n0.379877 0.599347 0.632440 Li\n0.879877 0.900653 0.367560 Li\n0.620123 0.099347 0.867560 Li\n0.900653 0.367560 0.879877 Li\n0.368107 0.368107 0.368107 Li\n0.131893 0.631893 0.868107 Li\n0.868107 0.131893 0.631893 Li\n0.631893 0.868107 0.131893 Li\n0.631893 0.631893 0.631893 Li\n0.868107 0.368107 0.131893 Li\n0.131893 0.868107 0.368107 Li\n0.368107 0.131893 0.868107 Li\n0.120123 0.400653 0.132440 Li\n0.132440 0.120123 0.400653 Li\n0.400653 0.132440 0.120123 Li\n0.099347 0.867560 0.620123 Li\n0.632440 0.379877 0.599347 Li\n0.599347 0.632440 0.379877 Li\n0.367560 0.879877 0.900653 Li\n0.620123 0.400653 0.367560 Li\n0.127642 0.372358 0.627642 Ta\n0.372358 0.627642 0.127642 Ta\n0.627642 0.127642 0.372358 Ta\n0.872358 0.872358 0.872358 Ta\n0.872358 0.627642 0.372358 Ta\n0.627642 0.372358 0.872358 Ta\n0.372358 0.872358 0.627642 Ta\n0.127642 0.127642 0.127642 Ta\n0.010261 0.244268 0.014325 N\n0.510261 0.255732 0.985675 N\n0.989739 0.744268 0.485675 N\n0.255732 0.985675 0.510261 N\n0.485675 0.989739 0.744268 N\n0.985675 0.510261 0.255732 N\n0.244268 0.014325 0.010261 N\n0.014325 0.010261 0.244268 N\n0.744268 0.485675 0.989739 N\n0.755732 0.514325 0.489739 N\n0.514325 0.489739 0.755732 N\n0.489739 0.755732 0.514325 N\n0.989739 0.755732 0.985675 N\n0.489739 0.744268 0.014325 N\n0.010261 0.255732 0.514325 N\n0.744268 0.014325 0.489739 N\n0.514325 0.010261 0.255732 N\n0.014325 0.489739 0.744268 N\n0.755732 0.985675 0.989739 N\n0.985675 0.989739 0.755732 N\n0.255732 0.514325 0.010261 N\n0.244268 0.485675 0.510261 N\n0.485675 0.510261 0.244268 N\n0.510261 0.244268 0.485675 N\n0.242364 0.257636 0.742364 N\n0.257636 0.742364 0.242364 N\n0.742364 0.242364 0.257636 N\n0.757636 0.757636 0.757636 N\n0.757636 0.742364 0.257636 N\n0.742364 0.257636 0.757636 N\n0.257636 0.757636 0.742364 N\n0.242364 0.242364 0.242364 N\n",
"nsites": 96,
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"volume": 956.1310031009116,
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"formula_full": "Li56 Ta8 N32",
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"updated_at": "2021-11-28T01:35:31.549000Z",
"spacegroup": 205
},
{
"id": "mp-1522292",
"created_at": "2022-09-04T14:41:55.484116Z",
"structure_string": "Sr1 Li1 Sn1 Sb1 O6\n1.0\n0.000000 -4.027637 -4.027637\n4.027637 -0.000000 -4.027637\n4.027637 -4.027637 0.000000\nSr Li Sn Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Sn\n-0.000000 -0.000000 -0.000000 Sb\n0.754215 0.245785 0.245785 O\n0.245785 0.754215 0.754215 O\n0.754215 0.245785 0.754215 O\n0.245785 0.754215 0.245785 O\n0.754215 0.754215 0.245785 O\n0.245785 0.245785 0.754215 O\n",
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"density": 5.47738180668922,
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"formula_full": "Sr1 Li1 Sn1 Sb1 O6",
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{
"id": "mp-761862",
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"structure_string": "Li4 B8 Sb4 O24\n1.0\n8.979755 0.000000 0.000000\n0.000000 5.132884 0.000000\n0.000000 3.343707 10.791857\nLi B Sb O\n4 8 4 24\ndirect\n0.961433 0.929635 0.893391 Li\n0.461433 0.070365 0.606609 Li\n0.538567 0.929635 0.393391 Li\n0.038567 0.070365 0.106609 Li\n0.302267 0.451535 0.384763 B\n0.635254 0.984139 0.865965 B\n0.802267 0.548465 0.115237 B\n0.135254 0.015861 0.634035 B\n0.864746 0.984139 0.365965 B\n0.197733 0.451535 0.884763 B\n0.364746 0.015861 0.134035 B\n0.697733 0.548465 0.615237 B\n0.300936 0.014058 0.869141 Sb\n0.800936 0.985942 0.630859 Sb\n0.199064 0.014058 0.369141 Sb\n0.699064 0.985942 0.130859 Sb\n0.354465 0.882082 0.045400 O\n0.654117 0.299626 0.603430 O\n0.889499 0.785515 0.085292 O\n0.001595 0.075456 0.680589 O\n0.160362 0.409600 0.346399 O\n0.265439 0.080817 0.685918 O\n0.660362 0.590400 0.153601 O\n0.765439 0.919183 0.814082 O\n0.501595 0.924544 0.819411 O\n0.389499 0.214485 0.414708 O\n0.854465 0.117918 0.454600 O\n0.154117 0.700374 0.896570 O\n0.845883 0.299626 0.103430 O\n0.145535 0.882082 0.545400 O\n0.610501 0.785515 0.585292 O\n0.498405 0.075456 0.180589 O\n0.234561 0.080817 0.185918 O\n0.339638 0.409600 0.846399 O\n0.734561 0.919183 0.314082 O\n0.839638 0.590400 0.653601 O\n0.998405 0.924544 0.319411 O\n0.110501 0.214485 0.914708 O\n0.345883 0.700374 0.396570 O\n0.645535 0.117918 0.954600 O\n",
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{
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"structure_string": "Al2 P2 O8\n1.0\n3.621116 -3.627031 0.000000\n3.621116 3.627031 0.000000\n0.000000 0.000000 7.167004\nAl P O\n2 2 8\ndirect\n0.205039 0.205039 0.500000 Al\n0.794961 0.794961 0.000000 Al\n0.296124 0.703876 0.250000 P\n0.703876 0.296124 0.750000 P\n0.258613 0.420246 0.314344 O\n0.741387 0.579754 0.814344 O\n0.420246 0.258613 0.685656 O\n0.579754 0.741387 0.185656 O\n0.239190 0.886599 0.415218 O\n0.760810 0.113401 0.915218 O\n0.886599 0.239190 0.584782 O\n0.113401 0.760810 0.084782 O\n",
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"formula_full": "Al2 P2 O8",
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{
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{
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"structure_string": "K1 Rb1 Cl2\n1.0\n5.551771 0.000000 0.000000\n0.000000 5.551771 0.000000\n0.000000 0.000000 3.925892\nK Rb Cl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n",
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{
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"structure_string": "Sr6 Mg1 Te8 O22\n1.0\n7.217920 0.295083 -2.496741\n-2.273179 9.656248 -1.434397\n0.005767 -0.177153 9.472283\nSr Mg Te O\n6 1 8 22\ndirect\n0.289007 0.998064 0.120964 Sr\n0.726089 0.970449 0.908205 Sr\n0.840002 0.060451 0.345911 Sr\n0.163145 0.926708 0.677423 Sr\n0.313928 0.532158 0.612571 Sr\n0.698106 0.461384 0.368583 Sr\n0.191062 0.230324 0.890186 Mg\n0.051121 0.292654 0.190745 Te\n0.955726 0.682574 0.809050 Te\n0.888575 0.294552 0.671347 Te\n0.015737 0.734920 0.241205 Te\n0.504305 0.696194 0.043122 Te\n0.563904 0.304681 0.947378 Te\n0.538277 0.818563 0.477396 Te\n0.420135 0.181578 0.509714 Te\n0.983174 0.589194 0.628380 O\n0.023639 0.404318 0.370860 O\n0.500634 0.626867 0.451211 O\n0.491026 0.369017 0.516711 O\n0.794869 0.193499 0.132491 O\n0.209572 0.786456 0.892598 O\n0.667017 0.193440 0.701411 O\n0.314902 0.828550 0.307902 O\n0.442352 0.860114 0.635279 O\n0.540575 0.116859 0.374482 O\n0.012762 0.135471 0.654387 O\n0.993309 0.859485 0.402905 O\n0.456246 0.346019 0.100029 O\n0.562913 0.681341 0.865755 O\n0.589359 0.890249 0.117587 O\n0.416996 0.117373 0.888681 O\n0.974353 0.844278 0.093501 O\n0.056260 0.138998 0.001208 O\n0.159660 0.161783 0.313233 O\n0.858448 0.830945 0.730400 O\n0.729853 0.638434 0.176752 O\n0.354626 0.359196 0.802663 O\n",
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"formula_full": "Sr6 Mg1 Te8 O22",
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},
{
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"formula_full": "K1 La1 Dy1 Nb1 O6",
"formula_reduced": "KLaDyNbO6",
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"spacegroup": 216
},
{
"id": "mp-1030690",
"created_at": "2022-09-04T14:42:20.986123Z",
"structure_string": "Na1 Mg6 B1 O7\n1.0\n8.038278 0.000000 0.000000\n-0.000000 4.406683 0.000000\n0.000000 0.000000 4.406683\nNa Mg B O\n1 6 1 7\ndirect\n0.999166 0.000000 -0.000000 Na\n0.004843 0.500000 0.500000 Mg\n0.504317 0.500000 0.500000 Mg\n0.260644 0.000000 0.500000 Mg\n0.749355 0.000000 0.500000 Mg\n0.260644 0.500000 0.000000 Mg\n0.749355 0.500000 0.000000 Mg\n0.508424 0.000000 -0.000000 B\n0.686160 0.000000 -0.000000 O\n0.255156 0.500000 0.500000 O\n0.753843 0.500000 0.500000 O\n0.005654 0.000000 0.500000 O\n0.503392 0.000000 0.500000 O\n0.005654 0.500000 -0.000000 O\n0.503392 0.500000 0.000000 O\n",
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"volume": 156.09415543399396,
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"updated_at": "2021-11-28T01:35:47.188000Z",
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]
}