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{
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"structure_string": "Tl8 Si2 S8\n1.0\n5.881589 6.488429 0.000000\n-5.881589 6.488429 0.000000\n0.000000 3.204056 7.119830\nTl Si S\n8 2 8\ndirect\n0.808293 0.784729 0.076981 Tl\n0.784729 0.808293 0.576981 Tl\n0.423217 0.964864 0.037013 Tl\n0.964864 0.423217 0.537013 Tl\n0.989732 0.262981 0.078138 Tl\n0.262981 0.989732 0.578138 Tl\n0.581098 0.368465 0.007216 Tl\n0.368465 0.581098 0.507216 Tl\n0.202258 0.617470 0.027949 Si\n0.617470 0.202258 0.527949 Si\n0.771029 0.094768 0.699752 S\n0.381324 0.234026 0.704416 S\n0.234026 0.381324 0.204416 S\n0.430571 0.711484 0.843337 S\n0.606626 0.055464 0.356398 S\n0.055464 0.606626 0.856398 S\n0.711484 0.430571 0.343337 S\n0.094768 0.771029 0.199752 S\n",
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{
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"structure_string": "Pu4 Pt12\n1.0\n0.000000 0.000000 5.457007\n-5.202969 5.202969 2.728503\n-5.202969 -5.202969 2.728503\nPu Pt\n4 12\ndirect\n0.621047 0.252539 0.745508 Pu\n0.619094 0.747461 0.254492 Pu\n0.126414 0.254492 0.252539 Pu\n0.633446 0.745508 0.747461 Pu\n0.670490 0.150093 0.100939 Pt\n0.921523 0.849907 0.899061 Pt\n0.179416 0.899061 0.150093 Pt\n0.228571 0.100939 0.849907 Pt\n0.069600 0.360819 0.617064 Pt\n0.047484 0.639181 0.382936 Pt\n0.569580 0.382936 0.360819 Pt\n0.313335 0.617064 0.639181 Pt\n0.843218 0.458955 0.993487 Pt\n0.295660 0.541045 0.006513 Pt\n0.697827 0.006513 0.458955 Pt\n0.163295 0.993487 0.541045 Pt\n",
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},
{
"id": "mp-998568",
"created_at": "2022-09-04T14:40:28.838048Z",
"structure_string": "K1 Ag1 Br3\n1.0\n5.418229 0.000000 0.000000\n0.000000 5.418229 0.000000\n0.000000 0.000000 5.417086\nK Ag Br\n1 1 3\ndirect\n0.000000 0.000000 0.001396 K\n0.500000 0.500000 0.514687 Ag\n0.000000 0.500000 0.515677 Br\n0.500000 0.500000 0.014711 Br\n0.500000 0.000000 0.515677 Br\n",
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"spacegroup": 99
},
{
"id": "mp-1246122",
"created_at": "2022-09-04T14:40:28.851151Z",
"structure_string": "V24 Pb12 N48\n1.0\n10.635639 0.000000 0.000000\n-0.000000 10.635639 -0.000000\n-0.000000 0.000000 10.635639\nV Pb N\n24 12 48\ndirect\n0.378333 0.702520 0.358251 V\n0.621667 0.202520 0.141749 V\n0.121667 0.297480 0.858251 V\n0.878333 0.797480 0.641749 V\n0.358251 0.378333 0.702520 V\n0.141749 0.621667 0.202520 V\n0.858251 0.121667 0.297480 V\n0.641749 0.878333 0.797480 V\n0.702520 0.358251 0.378333 V\n0.202520 0.141749 0.621667 V\n0.297480 0.858251 0.121667 V\n0.797480 0.641749 0.878333 V\n0.621667 0.297480 0.641749 V\n0.378333 0.797480 0.858251 V\n0.878333 0.702520 0.141749 V\n0.121667 0.202520 0.358251 V\n0.641749 0.621667 0.297480 V\n0.858251 0.378333 0.797480 V\n0.141749 0.878333 0.702520 V\n0.358251 0.121667 0.202520 V\n0.297480 0.641749 0.621667 V\n0.797480 0.858251 0.378333 V\n0.702520 0.141749 0.878333 V\n0.202520 0.358251 0.121667 V\n0.500000 0.500000 -0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 -0.000000 Pb\n0.122109 0.877891 0.377891 Pb\n0.877891 0.377891 0.122109 Pb\n0.377891 0.122109 0.877891 Pb\n0.622109 0.622109 0.622109 Pb\n0.877891 0.122109 0.622109 Pb\n0.122109 0.622109 0.877891 Pb\n0.622109 0.877891 0.122109 Pb\n0.377891 0.377891 0.377891 Pb\n0.358674 0.856961 0.279233 N\n0.641326 0.356961 0.220767 N\n0.141326 0.143039 0.779233 N\n0.858674 0.643039 0.720767 N\n0.279233 0.358674 0.856961 N\n0.220767 0.641326 0.356961 N\n0.779233 0.141326 0.143039 N\n0.720767 0.858674 0.643039 N\n0.856961 0.279233 0.358674 N\n0.356961 0.220767 0.641326 N\n0.143039 0.779233 0.141326 N\n0.643039 0.720767 0.858674 N\n0.641326 0.143039 0.720767 N\n0.358674 0.643039 0.779233 N\n0.858674 0.856961 0.220767 N\n0.141326 0.356961 0.279233 N\n0.720767 0.641326 0.143039 N\n0.779233 0.358674 0.643039 N\n0.220767 0.858674 0.856961 N\n0.279233 0.141326 0.356961 N\n0.143039 0.720767 0.641326 N\n0.643039 0.779233 0.358674 N\n0.856961 0.220767 0.858674 N\n0.356961 0.279233 0.141326 N\n0.414659 0.721072 0.523677 N\n0.585341 0.221072 0.976323 N\n0.085341 0.278928 0.023677 N\n0.914659 0.778928 0.476323 N\n0.523677 0.414659 0.721072 N\n0.976323 0.585341 0.221072 N\n0.023677 0.085341 0.278928 N\n0.476323 0.914659 0.778928 N\n0.721072 0.523677 0.414659 N\n0.221072 0.976323 0.585341 N\n0.278928 0.023677 0.085341 N\n0.778928 0.476323 0.914659 N\n0.585341 0.278928 0.476323 N\n0.414659 0.778928 0.023677 N\n0.914659 0.721072 0.976323 N\n0.085341 0.221072 0.523677 N\n0.476323 0.585341 0.278928 N\n0.023677 0.414659 0.778928 N\n0.976323 0.914659 0.721072 N\n0.523677 0.085341 0.221072 N\n0.278928 0.476323 0.585341 N\n0.778928 0.023677 0.414659 N\n0.721072 0.976323 0.914659 N\n0.221072 0.523677 0.085341 N\n",
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"spacegroup": 205
},
{
"id": "mp-1517811",
"created_at": "2022-09-04T14:40:28.864241Z",
"structure_string": "K1 La1 Ce1 Ni1 O6\n1.0\n0.000000 -4.053644 -4.053644\n4.053644 0.000000 -4.053644\n4.053644 -4.053644 0.000000\nK La Ce Ni O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ni\n0.731398 0.268602 0.268602 O\n0.268602 0.731398 0.731398 O\n0.731398 0.268602 0.731398 O\n0.268602 0.731398 0.268602 O\n0.731398 0.731398 0.268602 O\n0.268602 0.268602 0.731398 O\n",
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"formula_full": "K1 La1 Ce1 Ni1 O6",
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{
"id": "mp-1205051",
"created_at": "2022-09-04T14:40:28.871432Z",
"structure_string": "Re9 H9 C36 O36\n1.0\n7.725768 -13.381423 0.000000\n7.725768 13.381423 0.000000\n0.000000 0.000000 7.193645\nRe H C O\n9 9 36 36\ndirect\n0.099139 0.016409 0.474595 Re\n0.983591 0.082729 0.807929 Re\n0.917271 0.900861 0.141262 Re\n0.436700 0.699885 0.720341 Re\n0.300115 0.736816 0.053674 Re\n0.263184 0.563300 0.387008 Re\n0.565202 0.313280 0.943035 Re\n0.686720 0.251922 0.276368 Re\n0.748078 0.434798 0.609701 Re\n0.008128 0.005795 0.290285 H\n0.994205 0.002333 0.623618 H\n0.997667 0.991872 0.956951 H\n0.342095 0.676605 0.533148 H\n0.323395 0.665490 0.866481 H\n0.334510 0.657905 0.199814 H\n0.675701 0.339274 0.794951 H\n0.660726 0.336427 0.128285 H\n0.663573 0.324299 0.461618 H\n0.192786 0.013172 0.298886 C\n0.986828 0.179613 0.632219 C\n0.820387 0.807214 0.965552 C\n0.046792 0.872970 0.542400 C\n0.127030 0.173822 0.875734 C\n0.826178 0.953208 0.209067 C\n0.195431 0.048848 0.672102 C\n0.951152 0.146583 0.005435 C\n0.853417 0.804569 0.338769 C\n0.152664 0.160074 0.407948 C\n0.839926 0.992590 0.741281 C\n0.007410 0.847336 0.074615 C\n0.537041 0.742931 0.913536 C\n0.257069 0.794110 0.246870 C\n0.205890 0.462959 0.580203 C\n0.534533 0.714497 0.535378 C\n0.285503 0.820037 0.868712 C\n0.179963 0.465467 0.202045 C\n0.404875 0.560433 0.777322 C\n0.439567 0.844442 0.110655 C\n0.155558 0.595125 0.443989 C\n0.479646 0.843960 0.676023 C\n0.156040 0.635686 0.009356 C\n0.364314 0.520354 0.342690 C\n0.475943 0.303604 0.744742 C\n0.696396 0.172339 0.078075 C\n0.827661 0.524057 0.411409 C\n0.455325 0.275878 0.114994 C\n0.724122 0.179447 0.448328 C\n0.820553 0.544675 0.781661 C\n0.519091 0.169083 0.896525 C\n0.830917 0.350008 0.229858 C\n0.649992 0.480909 0.563192 C\n0.606295 0.456259 0.993930 C\n0.543741 0.150036 0.327264 C\n0.849964 0.393705 0.660597 C\n0.251675 0.014077 0.197099 O\n0.985923 0.237598 0.530433 O\n0.762402 0.748325 0.863766 O\n0.021357 0.791645 0.586522 O\n0.208355 0.229712 0.919855 O\n0.770288 0.978643 0.253188 O\n0.253515 0.065892 0.789922 O\n0.934108 0.187623 0.123255 O\n0.812377 0.746485 0.456588 O\n0.186221 0.243058 0.365754 O\n0.756942 0.943163 0.699087 O\n0.056837 0.813779 0.032421 O\n0.599284 0.768681 0.025954 O\n0.231319 0.830603 0.359288 O\n0.169397 0.400716 0.692621 O\n0.594014 0.725246 0.424949 O\n0.274754 0.868768 0.758283 O\n0.131232 0.405986 0.091616 O\n0.393232 0.482430 0.815312 O\n0.517570 0.910803 0.148645 O\n0.089197 0.606768 0.481978 O\n0.513316 0.929044 0.653964 O\n0.070956 0.584272 0.987297 O\n0.415728 0.486684 0.320631 O\n0.418553 0.292889 0.629327 O\n0.707111 0.125664 0.962660 O\n0.874336 0.581447 0.295993 O\n0.387184 0.255502 0.210870 O\n0.744498 0.131682 0.544204 O\n0.868318 0.612816 0.877537 O\n0.486759 0.084459 0.870840 O\n0.915541 0.402300 0.204174 O\n0.597700 0.513241 0.537507 O\n0.623967 0.537092 0.024135 O\n0.462908 0.086875 0.357469 O\n0.913125 0.376033 0.690802 O\n",
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{
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"structure_string": "Na28 Co4 O18\n1.0\n6.659657 0.000277 0.000093\n-3.329463 5.768040 9.382298\n3.329715 -5.766854 9.381666\nNa Co O\n28 4 18\ndirect\n0.999988 0.625473 0.625479 Na\n0.999988 0.125473 0.125479 Na\n0.000000 0.874521 0.874526 Na\n0.000000 0.374521 0.374526 Na\n0.036429 0.791699 0.116036 Na\n0.036429 0.291699 0.616036 Na\n0.324339 0.634261 0.273473 Na\n0.324339 0.134261 0.773473 Na\n0.639222 0.935655 0.972074 Na\n0.639222 0.435655 0.472074 Na\n0.360757 0.064338 0.027952 Na\n0.360757 0.564338 0.527952 Na\n0.675589 0.365761 0.726535 Na\n0.675589 0.865761 0.226535 Na\n0.963603 0.208338 0.883954 Na\n0.963603 0.708338 0.383954 Na\n0.312320 0.764028 0.829147 Na\n0.312320 0.264028 0.329147 Na\n0.065104 0.485315 0.107867 Na\n0.065104 0.985315 0.607867 Na\n0.377433 0.359580 0.047206 Na\n0.377433 0.859580 0.547206 Na\n0.622557 0.640422 0.952767 Na\n0.622557 0.140422 0.452767 Na\n0.934929 0.514674 0.892114 Na\n0.934929 0.014674 0.392114 Na\n0.687630 0.235929 0.170856 Na\n0.687630 0.735929 0.670856 Na\n0.333328 0.964274 0.297604 Co\n0.666649 0.035724 0.702402 Co\n0.333328 0.464274 0.797604 Co\n0.666649 0.535724 0.202402 Co\n0.999991 0.000001 0.999998 O\n0.999991 0.500001 0.499998 O\n0.333315 0.355643 0.688974 O\n0.333315 0.855643 0.188974 O\n0.666663 0.644373 0.311027 O\n0.666663 0.144373 0.811027 O\n0.304452 0.638814 0.697414 O\n0.304452 0.138814 0.197414 O\n0.058607 0.349642 0.986584 O\n0.058607 0.849642 0.486584 O\n0.363044 0.484110 0.179658 O\n0.363044 0.984110 0.679658 O\n0.636927 0.515887 0.820346 O\n0.636927 0.015887 0.320346 O\n0.941400 0.650362 0.013416 O\n0.941400 0.150362 0.513416 O\n0.695525 0.361175 0.302589 O\n0.695525 0.861175 0.802589 O\n",
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{
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{
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{
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"structure_string": "Sr4 Pr2 Ga2 Cu4 O14\n1.0\n-2.739893 2.804020 11.660605\n2.739893 -2.804020 11.660605\n2.739893 2.804020 -11.660605\nSr Pr Ga Cu O\n4 2 2 4 14\ndirect\n0.172441 0.650937 0.517475 Sr\n0.827559 0.345034 0.478496 Sr\n0.633462 0.150937 0.478496 Sr\n0.366538 0.845034 0.517475 Sr\n0.000000 0.500810 0.500810 Pr\n0.500000 0.000810 0.500810 Pr\n0.179172 0.214870 0.894043 Ga\n0.820828 0.714870 0.035698 Ga\n0.074691 0.077601 0.999999 Cu\n0.925309 0.925307 0.002910 Cu\n0.577603 0.577601 0.002910 Cu\n0.422397 0.425307 0.999999 Cu\n0.871233 0.366899 0.738132 O\n0.128767 0.866899 0.495666 O\n0.818144 0.320064 0.000226 O\n0.181856 0.182082 0.501920 O\n0.819839 0.820064 0.501920 O\n0.180161 0.682082 0.000226 O\n0.314460 0.816473 0.999206 O\n0.685540 0.684747 0.502013 O\n0.317266 0.316473 0.502013 O\n0.682734 0.184747 0.999206 O\n0.629369 0.708696 0.982644 O\n0.370631 0.353276 0.079327 O\n0.226052 0.208696 0.079327 O\n0.773948 0.853276 0.982644 O\n",
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"formula_full": "Sr4 Pr2 Ga2 Cu4 O14",
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{
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"structure_string": "Rb8 Cr4 H8 Cl20 O4\n1.0\n7.346149 0.000000 0.000000\n0.000000 9.843699 0.000000\n0.000000 0.000000 14.195919\nRb Cr H Cl O\n8 4 8 20 4\ndirect\n0.346938 0.998962 0.645140 Rb\n0.153062 0.501038 0.145140 Rb\n0.653062 0.498962 0.354860 Rb\n0.846938 0.001038 0.854860 Rb\n0.653062 0.001038 0.354860 Rb\n0.846938 0.498962 0.854860 Rb\n0.346938 0.501038 0.645140 Rb\n0.153062 0.998962 0.145140 Rb\n0.808904 0.250000 0.611258 Cr\n0.691096 0.250000 0.111258 Cr\n0.191096 0.750000 0.388742 Cr\n0.308904 0.750000 0.888742 Cr\n0.041330 0.168469 0.470979 H\n0.458670 0.331531 0.970979 H\n0.958670 0.668469 0.529021 H\n0.541330 0.831531 0.029021 H\n0.958670 0.831531 0.529021 H\n0.541330 0.668469 0.029021 H\n0.041330 0.331531 0.470979 H\n0.458670 0.168469 0.970979 H\n0.063497 0.250000 0.715270 Cl\n0.436503 0.250000 0.215270 Cl\n0.936503 0.750000 0.284730 Cl\n0.563497 0.750000 0.784730 Cl\n0.548158 0.250000 0.508845 Cl\n0.951842 0.250000 0.008845 Cl\n0.451842 0.750000 0.491155 Cl\n0.048158 0.750000 0.991155 Cl\n0.609825 0.250000 0.742390 Cl\n0.890175 0.250000 0.242390 Cl\n0.390175 0.750000 0.257610 Cl\n0.109825 0.750000 0.757610 Cl\n0.819241 0.007101 0.603667 Cl\n0.680759 0.492899 0.103667 Cl\n0.180759 0.507101 0.396333 Cl\n0.319241 0.992899 0.896333 Cl\n0.180759 0.992899 0.396333 Cl\n0.319241 0.507101 0.896333 Cl\n0.819241 0.492899 0.603667 Cl\n0.680759 0.007101 0.103667 Cl\n0.978232 0.250000 0.493684 O\n0.521768 0.250000 0.993684 O\n0.021768 0.750000 0.506316 O\n0.478232 0.750000 0.006316 O\n",
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{
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"structure_string": "Fe4 Ge2\n1.0\n2.066434 -3.579169 0.000000\n2.066434 3.579169 0.000000\n0.000000 0.000000 5.008752\nFe Ge\n4 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n",
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}