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{
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"results": [
{
"id": "mp-1202494",
"created_at": "2022-09-04T14:41:34.346930Z",
"structure_string": "Mg9 Si10 Pb8 C3 O48\n1.0\n4.807824 8.226390 0.000000\n-4.807824 8.226390 0.000000\n0.000000 1.629522 14.139056\nMg Si Pb C O\n9 10 8 3 48\ndirect\n0.194390 0.805610 0.000000 Mg\n0.855700 0.484618 0.990479 Mg\n0.515382 0.144300 0.009521 Mg\n0.525983 0.474017 0.000000 Mg\n0.187915 0.148121 0.991961 Mg\n0.851879 0.812085 0.008039 Mg\n0.527843 0.802155 0.002082 Mg\n0.197845 0.472157 0.997918 Mg\n0.874713 0.125287 0.000000 Mg\n0.637009 0.632719 0.800928 Si\n0.367281 0.362991 0.199072 Si\n0.326825 0.605544 0.806736 Si\n0.394456 0.673175 0.193264 Si\n0.658780 0.939453 0.813479 Si\n0.060547 0.341220 0.186521 Si\n0.350924 0.271159 0.803004 Si\n0.728841 0.649076 0.196996 Si\n0.993207 0.917821 0.803979 Si\n0.082179 0.006793 0.196021 Si\n0.774658 0.302362 0.666780 Pb\n0.697638 0.225342 0.333220 Pb\n0.026499 0.505875 0.667411 Pb\n0.494125 0.973501 0.332589 Pb\n0.693918 0.966734 0.549668 Pb\n0.033266 0.306082 0.450332 Pb\n0.227103 0.050630 0.665791 Pb\n0.949370 0.772897 0.334209 Pb\n0.013699 0.986301 0.500000 C\n0.703633 0.641435 0.501459 C\n0.358565 0.296367 0.498541 C\n0.654171 0.250370 0.942949 O\n0.749630 0.345829 0.057051 O\n0.647499 0.923414 0.927567 O\n0.076586 0.352501 0.072433 O\n0.982146 0.603156 0.938459 O\n0.396844 0.017854 0.061541 O\n0.070518 0.685392 0.063242 O\n0.314608 0.929482 0.936758 O\n0.351547 0.440464 0.764354 O\n0.559536 0.648453 0.235646 O\n0.478597 0.632227 0.763596 O\n0.367773 0.521403 0.236404 O\n0.640606 0.604410 0.916085 O\n0.395590 0.359394 0.083915 O\n0.160625 0.757661 0.767314 O\n0.242339 0.839375 0.232686 O\n0.321403 0.589593 0.921887 O\n0.410407 0.678597 0.078113 O\n0.986629 0.924098 0.918124 O\n0.075902 0.013371 0.081876 O\n0.964672 0.266864 0.934846 O\n0.733136 0.035328 0.065154 O\n0.318731 0.265447 0.917973 O\n0.734553 0.681269 0.082027 O\n0.530815 0.121275 0.771317 O\n0.878725 0.469185 0.228683 O\n0.015267 0.293945 0.606313 O\n0.706055 0.984733 0.393687 O\n0.618422 0.812664 0.767042 O\n0.187336 0.381578 0.232958 O\n0.215494 0.264409 0.745515 O\n0.735591 0.784506 0.254485 O\n0.839985 0.901312 0.770376 O\n0.098688 0.160015 0.229624 O\n0.989875 0.073909 0.743386 O\n0.926091 0.010125 0.256614 O\n0.795342 0.498114 0.743756 O\n0.501886 0.204658 0.256244 O\n0.359810 0.640190 0.500000 O\n0.876486 0.123514 0.500000 O\n0.709909 0.504762 0.495859 O\n0.495238 0.290091 0.504141 O\n0.225405 0.429996 0.495415 O\n0.570004 0.774595 0.504585 O\n0.146863 0.991403 0.493370 O\n0.008597 0.853137 0.506630 O\n0.838845 0.645808 0.503887 O\n0.354192 0.161155 0.496113 O\n",
"nsites": 78,
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"elements": [
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"C",
"O"
],
"chemical_system": "C-Mg-O-Pb-Si",
"density": 4.396520028895623,
"density_atomic": 0.06974070551761294,
"volume": 1118.4286052325808,
"volume_molar": 8.635044218873173,
"formula_full": "Mg9 Si10 Pb8 C3 O48",
"formula_reduced": "Mg9Si10Pb8(CO16)3",
"formula_anonymous": "A3B8C9D10E48",
"energy": -552.69905886,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.344000Z",
"spacegroup": 5
},
{
"id": "mp-667286",
"created_at": "2022-09-04T14:42:00.448466Z",
"structure_string": "Re24 Te28 Se32\n1.0\n12.859300 0.000000 0.000000\n0.000000 12.906301 0.000000\n0.000000 0.000000 14.383823\nRe Te Se\n24 28 32\ndirect\n0.507913 0.365680 0.449559 Re\n0.992087 0.365680 0.949559 Re\n0.440082 0.547829 0.389065 Re\n0.132707 0.970251 0.452200 Re\n0.992087 0.865680 0.550441 Re\n0.492087 0.634320 0.550441 Re\n0.507913 0.865680 0.050441 Re\n0.867293 0.029749 0.547800 Re\n0.492087 0.134320 0.949559 Re\n0.367293 0.470251 0.547800 Re\n0.007913 0.134320 0.449559 Re\n0.059918 0.047829 0.610935 Re\n0.132707 0.470251 0.047800 Re\n0.940082 0.452171 0.110935 Re\n0.559918 0.952171 0.889065 Re\n0.940082 0.952171 0.389065 Re\n0.059918 0.547829 0.889065 Re\n0.007913 0.634320 0.050441 Re\n0.367293 0.970251 0.952200 Re\n0.632707 0.529749 0.452200 Re\n0.559918 0.452171 0.610935 Re\n0.632707 0.029749 0.047800 Re\n0.440082 0.047829 0.110935 Re\n0.867293 0.529749 0.952200 Re\n0.675548 0.077185 0.624964 Te\n0.175548 0.922815 0.875036 Te\n0.544404 0.175742 0.367227 Te\n0.955596 0.175742 0.867227 Te\n0.000000 0.500000 0.500000 Te\n0.500000 0.000000 0.500000 Te\n0.644118 0.385273 0.777274 Te\n0.675548 0.577185 0.875036 Te\n0.355882 0.114727 0.277274 Te\n0.644118 0.885273 0.722726 Te\n0.455596 0.324258 0.867227 Te\n0.824452 0.577185 0.375036 Te\n0.824452 0.077185 0.124964 Te\n0.455596 0.824258 0.632773 Te\n0.855882 0.885273 0.222726 Te\n0.044404 0.324258 0.367227 Te\n0.000000 0.000000 0.000000 Te\n0.144118 0.614727 0.722726 Te\n0.324452 0.922815 0.375036 Te\n0.324452 0.422815 0.124964 Te\n0.044404 0.824258 0.132773 Te\n0.955596 0.675742 0.632773 Te\n0.144118 0.114727 0.777274 Te\n0.855882 0.385273 0.277274 Te\n0.175548 0.422815 0.624964 Te\n0.500000 0.500000 0.000000 Te\n0.355882 0.614727 0.222726 Te\n0.544404 0.675742 0.132773 Te\n0.322400 0.888796 0.107960 Se\n0.423277 0.553441 0.700103 Se\n0.177600 0.388796 0.892040 Se\n0.576723 0.446559 0.299897 Se\n0.822400 0.611204 0.107960 Se\n0.439195 0.295767 0.601989 Se\n0.322400 0.388796 0.392040 Se\n0.693368 0.354172 0.513173 Se\n0.306632 0.645828 0.486827 Se\n0.193368 0.645828 0.986827 Se\n0.060805 0.795767 0.398011 Se\n0.076723 0.553441 0.200103 Se\n0.677600 0.111204 0.892040 Se\n0.939195 0.204233 0.601989 Se\n0.060805 0.295767 0.101989 Se\n0.923277 0.446559 0.799897 Se\n0.560805 0.704233 0.398011 Se\n0.677600 0.611204 0.607960 Se\n0.939195 0.704233 0.898011 Se\n0.693368 0.854172 0.986827 Se\n0.806632 0.354172 0.013173 Se\n0.806632 0.854172 0.486827 Se\n0.923277 0.946559 0.700103 Se\n0.306632 0.145828 0.013173 Se\n0.822400 0.111204 0.392040 Se\n0.076723 0.053441 0.299897 Se\n0.439195 0.795767 0.898011 Se\n0.193368 0.145828 0.513173 Se\n0.560805 0.204233 0.101989 Se\n0.423277 0.053441 0.799897 Se\n0.177600 0.888796 0.607960 Se\n0.576723 0.946559 0.200103 Se\n",
"nsites": 84,
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"elements": [
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"Te",
"Se"
],
"chemical_system": "Re-Se-Te",
"density": 7.351373833063373,
"density_atomic": 0.0351872914409379,
"volume": 2387.2255169453592,
"volume_molar": 17.11453343917705,
"formula_full": "Re24 Te28 Se32",
"formula_reduced": "Re6Te7Se8",
"formula_anonymous": "A6B7C8",
"energy": -552.71019085,
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"updated_at": "2021-11-28T01:35:34.694000Z",
"spacegroup": 61
},
{
"id": "mp-1216335",
"created_at": "2022-09-04T14:46:32.632828Z",
"structure_string": "Y4 Er4 Fe56 B4\n1.0\n8.723555 0.000000 0.000000\n0.000000 8.723555 0.000000\n0.000000 0.000000 11.907149\nY Er Fe B\n4 4 56 4\ndirect\n0.232428 0.767572 0.500000 Y\n0.767572 0.232428 0.500000 Y\n0.267572 0.267572 0.000000 Y\n0.732428 0.732428 0.000000 Y\n0.643784 0.643784 0.500000 Er\n0.356216 0.356216 0.500000 Er\n0.856216 0.143784 0.000000 Er\n0.143784 0.856216 0.000000 Er\n0.933084 0.725188 0.373179 Fe\n0.066916 0.274812 0.373179 Fe\n0.566916 0.225188 0.873179 Fe\n0.433084 0.774812 0.873179 Fe\n0.066916 0.274812 0.626821 Fe\n0.933084 0.725188 0.626821 Fe\n0.433084 0.774812 0.126821 Fe\n0.566916 0.225188 0.126821 Fe\n0.725188 0.933084 0.373179 Fe\n0.274812 0.066916 0.373179 Fe\n0.225188 0.566916 0.873179 Fe\n0.774812 0.433084 0.873179 Fe\n0.274812 0.066916 0.626821 Fe\n0.725188 0.933084 0.626821 Fe\n0.774812 0.433084 0.126821 Fe\n0.225188 0.566916 0.126821 Fe\n0.141029 0.536351 0.325377 Fe\n0.858971 0.463649 0.325377 Fe\n0.358971 0.036351 0.825377 Fe\n0.641029 0.963649 0.825377 Fe\n0.858971 0.463649 0.674623 Fe\n0.141029 0.536351 0.674623 Fe\n0.641029 0.963649 0.174623 Fe\n0.358971 0.036351 0.174623 Fe\n0.536351 0.141029 0.325377 Fe\n0.463649 0.858971 0.325377 Fe\n0.036351 0.358971 0.825377 Fe\n0.963649 0.641029 0.825377 Fe\n0.463649 0.858971 0.674623 Fe\n0.536351 0.141029 0.674623 Fe\n0.963649 0.641029 0.174623 Fe\n0.036351 0.358971 0.174623 Fe\n0.182706 0.817294 0.253513 Fe\n0.817294 0.182706 0.253513 Fe\n0.317294 0.317294 0.753513 Fe\n0.682706 0.682706 0.753513 Fe\n0.817294 0.182706 0.746487 Fe\n0.182706 0.817294 0.746487 Fe\n0.682706 0.682706 0.246487 Fe\n0.317294 0.317294 0.246487 Fe\n0.402945 0.597055 0.301243 Fe\n0.597055 0.402945 0.301243 Fe\n0.097055 0.097055 0.801243 Fe\n0.902945 0.902945 0.801243 Fe\n0.597055 0.402945 0.698757 Fe\n0.402945 0.597055 0.698757 Fe\n0.902945 0.902945 0.198757 Fe\n0.097055 0.097055 0.198757 Fe\n0.500000 0.500000 0.117563 Fe\n0.000000 0.000000 0.617563 Fe\n0.500000 0.500000 0.882437 Fe\n0.000000 0.000000 0.382437 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.876577 0.876577 0.500000 B\n0.123423 0.123423 0.500000 B\n0.623423 0.376577 0.000000 B\n0.376577 0.623423 0.000000 B\n",
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],
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"spacegroup": 136
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{
"id": "mp-849993",
"created_at": "2022-09-04T14:45:53.249602Z",
"structure_string": "Ni8 S16 O64\n1.0\n8.717264 0.000000 0.000000\n0.000000 8.867447 0.000000\n0.000000 0.000000 13.198095\nNi S O\n8 16 64\ndirect\n0.896314 0.859487 0.123729 Ni\n0.603686 0.859487 0.623729 Ni\n0.396314 0.640513 0.123729 Ni\n0.103686 0.640513 0.623729 Ni\n0.896314 0.359487 0.376271 Ni\n0.603686 0.359487 0.876271 Ni\n0.396314 0.140513 0.376271 Ni\n0.103686 0.140513 0.876271 Ni\n0.565693 0.926328 0.221583 S\n0.934307 0.926328 0.721583 S\n0.311164 0.842256 0.489883 S\n0.188836 0.842256 0.989883 S\n0.811164 0.657744 0.489883 S\n0.688836 0.657744 0.989883 S\n0.065693 0.573672 0.221583 S\n0.434307 0.573672 0.721583 S\n0.565693 0.426328 0.278417 S\n0.934307 0.426328 0.778417 S\n0.311164 0.342256 0.010117 S\n0.188836 0.342256 0.510117 S\n0.811164 0.157744 0.010117 S\n0.688836 0.157744 0.510117 S\n0.434307 0.073672 0.778417 S\n0.065693 0.073672 0.278417 S\n0.294770 0.009978 0.475958 O\n0.205230 0.009978 0.975958 O\n0.004703 0.979348 0.355927 O\n0.495297 0.979348 0.855927 O\n0.530178 0.977526 0.329879 O\n0.969822 0.977526 0.829879 O\n0.739653 0.919433 0.224801 O\n0.760347 0.919433 0.724801 O\n0.278259 0.814664 0.086042 O\n0.221741 0.814664 0.586042 O\n0.023619 0.800565 0.013933 O\n0.476381 0.800565 0.513933 O\n0.994749 0.765374 0.720812 O\n0.505251 0.765374 0.220812 O\n0.267507 0.755560 0.403548 O\n0.232493 0.755560 0.903548 O\n0.767507 0.744440 0.403548 O\n0.732493 0.744440 0.903548 O\n0.005251 0.734626 0.220812 O\n0.494749 0.734626 0.720812 O\n0.976381 0.699435 0.513933 O\n0.523619 0.699435 0.013933 O\n0.778259 0.685336 0.086042 O\n0.721741 0.685336 0.586042 O\n0.239653 0.580567 0.224801 O\n0.260347 0.580567 0.724801 O\n0.469822 0.522474 0.829879 O\n0.030178 0.522474 0.329879 O\n0.504703 0.520652 0.355927 O\n0.995297 0.520652 0.855927 O\n0.794770 0.490022 0.475958 O\n0.705230 0.490022 0.975958 O\n0.294770 0.509978 0.024042 O\n0.205230 0.509978 0.524042 O\n0.495297 0.479348 0.644073 O\n0.004703 0.479348 0.144073 O\n0.530178 0.477526 0.170121 O\n0.969822 0.477526 0.670121 O\n0.739653 0.419433 0.275199 O\n0.760347 0.419433 0.775199 O\n0.278259 0.314664 0.413958 O\n0.221741 0.314664 0.913958 O\n0.476381 0.300565 0.986067 O\n0.023619 0.300565 0.486067 O\n0.505251 0.265374 0.279188 O\n0.994749 0.265374 0.779188 O\n0.267507 0.255560 0.096452 O\n0.232493 0.255560 0.596452 O\n0.767507 0.244440 0.096452 O\n0.732493 0.244440 0.596452 O\n0.494749 0.234626 0.779188 O\n0.005251 0.234626 0.279188 O\n0.523619 0.199435 0.486067 O\n0.976381 0.199435 0.986067 O\n0.778259 0.185336 0.413958 O\n0.721741 0.185336 0.913958 O\n0.260347 0.080567 0.775199 O\n0.239653 0.080567 0.275199 O\n0.469822 0.022474 0.670121 O\n0.030178 0.022474 0.170121 O\n0.995297 0.020652 0.644073 O\n0.504703 0.020652 0.144073 O\n0.794770 0.990022 0.024042 O\n0.705230 0.990022 0.524042 O\n",
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},
{
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