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"structure_string": "K16 P32 Pb8 O96\n1.0\n9.334539 0.000000 0.000000\n0.000000 15.655957 0.000000\n0.000000 0.000000 15.683224\nK P Pb O\n16 32 8 96\ndirect\n0.806297 0.694791 0.260547 K\n0.693703 0.694791 0.760547 K\n0.693703 0.194791 0.739453 K\n0.134260 0.100144 0.394391 K\n0.865740 0.899856 0.605609 K\n0.365740 0.600144 0.605609 K\n0.634260 0.399856 0.394391 K\n0.134260 0.600144 0.105609 K\n0.306297 0.305209 0.239453 K\n0.193703 0.805209 0.760547 K\n0.865740 0.399856 0.894391 K\n0.634260 0.899856 0.105609 K\n0.365740 0.100144 0.894391 K\n0.306297 0.805209 0.260547 K\n0.193703 0.305209 0.739453 K\n0.806297 0.194791 0.239453 K\n0.971003 0.162243 0.887249 P\n0.750390 0.099132 0.003921 P\n0.028997 0.337757 0.387249 P\n0.944553 0.947573 0.258650 P\n0.749610 0.099132 0.503921 P\n0.249610 0.900868 0.996079 P\n0.998514 0.670017 0.902043 P\n0.444553 0.552427 0.258650 P\n0.471003 0.337757 0.887249 P\n0.001486 0.829983 0.402043 P\n0.498514 0.329983 0.597957 P\n0.528997 0.662243 0.112751 P\n0.749610 0.599132 0.996079 P\n0.444553 0.052427 0.241350 P\n0.028997 0.837757 0.112751 P\n0.498514 0.829983 0.902043 P\n0.971003 0.662243 0.612751 P\n0.501486 0.670017 0.402043 P\n0.944553 0.447573 0.241350 P\n0.055447 0.052427 0.741350 P\n0.250390 0.400868 0.003921 P\n0.750390 0.599132 0.496079 P\n0.998514 0.170017 0.597957 P\n0.249610 0.400868 0.503921 P\n0.250390 0.900868 0.496079 P\n0.528997 0.162243 0.387249 P\n0.001486 0.329983 0.097957 P\n0.501486 0.170017 0.097957 P\n0.555447 0.947573 0.758650 P\n0.055447 0.552427 0.758650 P\n0.471003 0.837757 0.612751 P\n0.555447 0.447573 0.741350 P\n0.621295 0.898895 0.393909 Pb\n0.378705 0.601105 0.893909 Pb\n0.121295 0.601105 0.393909 Pb\n0.878705 0.398895 0.606091 Pb\n0.121295 0.101105 0.106091 Pb\n0.621295 0.398895 0.106091 Pb\n0.378705 0.101105 0.606091 Pb\n0.878705 0.898895 0.893909 Pb\n0.304048 0.099497 0.247783 O\n0.695952 0.900503 0.752217 O\n0.804048 0.400503 0.247783 O\n0.485955 0.253768 0.843285 O\n0.030224 0.414513 0.156148 O\n0.188779 0.339255 0.428447 O\n0.804048 0.900503 0.252217 O\n0.095243 0.354231 0.014877 O\n0.348692 0.174487 0.068201 O\n0.279376 0.988227 0.032087 O\n0.188779 0.839255 0.071553 O\n0.053299 0.414120 0.316246 O\n0.919142 0.368499 0.450876 O\n0.946701 0.085880 0.816246 O\n0.848692 0.325513 0.068201 O\n0.064697 0.254009 0.143489 O\n0.595243 0.145769 0.014877 O\n0.811221 0.660745 0.571553 O\n0.095243 0.854231 0.485123 O\n0.553299 0.085880 0.316246 O\n0.688779 0.660745 0.071553 O\n0.220624 0.988227 0.532087 O\n0.151308 0.174487 0.568201 O\n0.162216 0.392876 0.584034 O\n0.014045 0.253768 0.343285 O\n0.311221 0.839255 0.571553 O\n0.404757 0.854231 0.985123 O\n0.043995 0.957134 0.740267 O\n0.946701 0.585880 0.683754 O\n0.304048 0.599497 0.252217 O\n0.337784 0.392876 0.084034 O\n0.530224 0.085487 0.156148 O\n0.469776 0.414513 0.656148 O\n0.811221 0.160745 0.928447 O\n0.919142 0.868499 0.049124 O\n0.514045 0.746232 0.156715 O\n0.404757 0.354231 0.514877 O\n0.837784 0.607124 0.415966 O\n0.419142 0.131501 0.450876 O\n0.514045 0.246232 0.343285 O\n0.848692 0.825513 0.431799 O\n0.337784 0.892876 0.415966 O\n0.956005 0.542866 0.240267 O\n0.456005 0.957134 0.240267 O\n0.564697 0.745991 0.356511 O\n0.435303 0.254009 0.643489 O\n0.348692 0.674487 0.431799 O\n0.956005 0.042866 0.259733 O\n0.651308 0.325513 0.568201 O\n0.720624 0.511773 0.532087 O\n0.279376 0.488227 0.467913 O\n0.220624 0.488227 0.967913 O\n0.969776 0.585487 0.843852 O\n0.662216 0.607124 0.915966 O\n0.985955 0.746232 0.656715 O\n0.030224 0.914513 0.343852 O\n0.162216 0.892876 0.915966 O\n0.935303 0.245991 0.643489 O\n0.969776 0.085487 0.656148 O\n0.080858 0.631501 0.549124 O\n0.904757 0.645769 0.985123 O\n0.053299 0.914120 0.183754 O\n0.662216 0.107124 0.584034 O\n0.485955 0.753768 0.656715 O\n0.311221 0.339255 0.928447 O\n0.543995 0.542866 0.740267 O\n0.446701 0.914120 0.683754 O\n0.595243 0.645769 0.485123 O\n0.935303 0.745991 0.856511 O\n0.837784 0.107124 0.084034 O\n0.564697 0.245991 0.143489 O\n0.446701 0.414120 0.816246 O\n0.904757 0.145769 0.514877 O\n0.469776 0.914513 0.843852 O\n0.543995 0.042866 0.759733 O\n0.080858 0.131501 0.950876 O\n0.651308 0.825513 0.931799 O\n0.014045 0.753768 0.156715 O\n0.419142 0.631501 0.049124 O\n0.151308 0.674487 0.931799 O\n0.695952 0.400503 0.747783 O\n0.435303 0.754009 0.856511 O\n0.985955 0.246232 0.843285 O\n0.043995 0.457134 0.759733 O\n0.553299 0.585880 0.183754 O\n0.779376 0.011773 0.467913 O\n0.580858 0.368499 0.950876 O\n0.064697 0.754009 0.356511 O\n0.195952 0.099497 0.747783 O\n0.580858 0.868499 0.549124 O\n0.456005 0.457134 0.259733 O\n0.779376 0.511773 0.032087 O\n0.688779 0.160745 0.428447 O\n0.195952 0.599497 0.752217 O\n0.530224 0.585487 0.343852 O\n0.720624 0.011773 0.967913 O\n",
"nsites": 152,
"nelements": 4,
"elements": [
"K",
"P",
"Pb",
"O"
],
"chemical_system": "K-O-P-Pb",
"density": 3.4850676740532847,
"density_atomic": 0.06631866085983039,
"volume": 2291.9642530367696,
"volume_molar": 9.080612729391898,
"formula_full": "K16 P32 Pb8 O96",
"formula_reduced": "K2P4PbO12",
"formula_anonymous": "AB2C4D12",
"energy": -1090.1138403,
"energy_per_atom": -7.171801580921053,
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"band_gap": 5.0568,
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"total_magnetization": 0.539194,
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"updated_at": "2021-11-28T01:37:23.934000Z",
"spacegroup": 61
},
{
"id": "mp-704101",
"created_at": "2022-09-04T14:46:56.835531Z",
"structure_string": "Mn16 C60 S16 O60\n1.0\n15.693284 0.000000 0.000000\n0.000000 9.421961 0.000000\n0.000000 1.899091 18.325886\nMn C S O\n16 60 16 60\ndirect\n0.612112 0.772418 0.882738 Mn\n0.387888 0.227582 0.117262 Mn\n0.112112 0.227582 0.617262 Mn\n0.555033 0.955593 0.258068 Mn\n0.528641 0.269390 0.391085 Mn\n0.141939 0.703757 0.309564 Mn\n0.055033 0.044407 0.241932 Mn\n0.887888 0.772418 0.382738 Mn\n0.358061 0.703757 0.809564 Mn\n0.971359 0.269390 0.891085 Mn\n0.444967 0.044407 0.741932 Mn\n0.471359 0.730610 0.608915 Mn\n0.944967 0.955593 0.758068 Mn\n0.641939 0.296243 0.190436 Mn\n0.858061 0.296243 0.690436 Mn\n0.028641 0.730610 0.108915 Mn\n0.883077 0.441674 0.620887 C\n0.200126 0.788322 0.379695 C\n0.052672 0.886732 0.773694 C\n0.028184 0.431370 0.910845 C\n0.028605 0.228294 0.543419 C\n0.598600 0.572021 0.881192 C\n0.265787 0.604674 0.781574 C\n0.318320 0.224534 0.201154 C\n0.116923 0.558326 0.379113 C\n0.137095 0.647224 0.102604 C\n0.906991 0.783313 0.798998 C\n0.093009 0.216687 0.201002 C\n0.098600 0.427979 0.618808 C\n0.862905 0.352776 0.897396 C\n0.702753 0.739686 0.946972 C\n0.471395 0.228294 0.043419 C\n0.872005 0.971161 0.386654 C\n0.406991 0.216687 0.701002 C\n0.035921 0.799283 0.012235 C\n0.971395 0.771706 0.456581 C\n0.700126 0.211678 0.120305 C\n0.627995 0.971161 0.886654 C\n0.535921 0.200717 0.487765 C\n0.447328 0.886732 0.273694 C\n0.073684 0.097904 0.332808 C\n0.076065 0.174621 0.885230 C\n0.799874 0.211678 0.620305 C\n0.528184 0.568630 0.589155 C\n0.528605 0.771706 0.956581 C\n0.616923 0.441674 0.120887 C\n0.765787 0.395326 0.718426 C\n0.202753 0.260314 0.553028 C\n0.372005 0.028839 0.113346 C\n0.299874 0.788322 0.879695 C\n0.401400 0.427979 0.118808 C\n0.797247 0.739686 0.446972 C\n0.423935 0.174621 0.385230 C\n0.971816 0.568630 0.089155 C\n0.964079 0.200717 0.987765 C\n0.926316 0.902096 0.667192 C\n0.181680 0.224534 0.701154 C\n0.734213 0.395326 0.218426 C\n0.426316 0.097904 0.832808 C\n0.681680 0.775466 0.798846 C\n0.127995 0.028839 0.613346 C\n0.471816 0.431370 0.410845 C\n0.637095 0.352776 0.397396 C\n0.297247 0.260314 0.053028 C\n0.383077 0.558326 0.879113 C\n0.923935 0.825379 0.114770 C\n0.947328 0.113268 0.226306 C\n0.362905 0.647224 0.602604 C\n0.573684 0.902096 0.167192 C\n0.818320 0.775466 0.298846 C\n0.593009 0.783313 0.298998 C\n0.901400 0.572021 0.381192 C\n0.576065 0.825379 0.614770 C\n0.234213 0.604674 0.281574 C\n0.552672 0.113268 0.726306 C\n0.464079 0.799283 0.512235 C\n0.474739 0.646536 0.735543 S\n0.007465 0.816709 0.299070 S\n0.025261 0.646536 0.235543 S\n0.819399 0.092077 0.773806 S\n0.507465 0.183291 0.200930 S\n0.180601 0.907923 0.226194 S\n0.492535 0.816709 0.799070 S\n0.525261 0.353464 0.264457 S\n0.974739 0.353464 0.764457 S\n0.992535 0.183291 0.700930 S\n0.319399 0.907923 0.726194 S\n0.680601 0.092077 0.273806 S\n0.401692 0.943260 0.637372 S\n0.901692 0.056740 0.862628 S\n0.098308 0.943260 0.137372 S\n0.598308 0.056740 0.362628 S\n0.959532 0.154752 0.048538 O\n0.796020 0.401509 0.904262 O\n0.613014 0.670543 0.325596 O\n0.409920 0.132323 0.890291 O\n0.525918 0.227473 0.001521 O\n0.909920 0.867677 0.609709 O\n0.906709 0.449921 0.381989 O\n0.641099 0.883333 0.614454 O\n0.264483 0.837355 0.926744 O\n0.566580 0.469153 0.575829 O\n0.358901 0.116667 0.385546 O\n0.379350 0.840095 0.285235 O\n0.277897 0.225362 0.253305 O\n0.222103 0.225362 0.753305 O\n0.759938 0.719650 0.986217 O\n0.974082 0.227473 0.501521 O\n0.296020 0.598491 0.595738 O\n0.386986 0.329457 0.674404 O\n0.722103 0.774638 0.746695 O\n0.764483 0.162645 0.573256 O\n0.040468 0.845248 0.951462 O\n0.459532 0.845248 0.451462 O\n0.707138 0.460589 0.734858 O\n0.620650 0.159905 0.714765 O\n0.792862 0.460589 0.234858 O\n0.093291 0.550079 0.618011 O\n0.105090 0.467423 0.426083 O\n0.406709 0.550079 0.118011 O\n0.292862 0.539411 0.265142 O\n0.894910 0.532577 0.573917 O\n0.359895 0.910019 0.107069 O\n0.777897 0.774638 0.246695 O\n0.141099 0.116667 0.885546 O\n0.590080 0.867677 0.109709 O\n0.066580 0.530847 0.924171 O\n0.640105 0.089981 0.892931 O\n0.259938 0.280350 0.513783 O\n0.474082 0.772527 0.998479 O\n0.433420 0.530847 0.424171 O\n0.113014 0.329457 0.174404 O\n0.879350 0.159905 0.214765 O\n0.240062 0.280350 0.013783 O\n0.203980 0.598491 0.095738 O\n0.886986 0.670543 0.825596 O\n0.859895 0.089981 0.392931 O\n0.933420 0.469153 0.075829 O\n0.090080 0.132323 0.390291 O\n0.703980 0.401509 0.404262 O\n0.540468 0.154752 0.548538 O\n0.735517 0.162645 0.073256 O\n0.394910 0.467423 0.926083 O\n0.140105 0.910019 0.607069 O\n0.207138 0.539411 0.765142 O\n0.235517 0.837355 0.426744 O\n0.025918 0.772527 0.498479 O\n0.593291 0.449921 0.881989 O\n0.740062 0.719650 0.486217 O\n0.120650 0.840095 0.785235 O\n0.605090 0.532577 0.073917 O\n0.858901 0.883333 0.114454 O\n",
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"nelements": 4,
"elements": [
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"C",
"S",
"O"
],
"chemical_system": "C-Mn-O-S",
"density": 1.882967139007817,
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"volume": 2709.693172564549,
"volume_molar": 10.73562743525966,
"formula_full": "Mn16 C60 S16 O60",
"formula_reduced": "Mn4C15S4O15",
"formula_anonymous": "A4B4C15D15",
"energy": -1174.21008829,
"energy_per_atom": -7.725066370328947,
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"updated_at": "2021-11-28T01:37:46.699000Z",
"spacegroup": 14
},
{
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"created_at": "2022-09-04T14:46:33.337164Z",
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"elements": [
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},
{
"id": "mp-686466",
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"formula_full": "Pr32 Si32 N54 Cl6 O28",
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},
{
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{
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{
"id": "mp-1247694",
"created_at": "2022-09-04T14:45:20.576574Z",
"structure_string": "Ca32 Ti4 Mn28 O88\n1.0\n10.876213 -0.021346 -0.094602\n-0.029005 15.542293 0.022707\n-0.092300 0.015439 10.857113\nCa Ti Mn O\n32 4 28 88\ndirect\n0.998379 0.107603 0.507405 Ca\n0.987459 0.115784 0.013049 Ca\n0.019524 0.627538 0.500800 Ca\n0.018003 0.626094 0.995216 Ca\n0.541668 0.127262 0.480058 Ca\n0.546484 0.124195 0.986538 Ca\n0.521926 0.625014 0.500673 Ca\n0.522873 0.624066 0.998631 Ca\n0.496972 0.391198 0.999548 Ca\n0.492837 0.393212 0.499825 Ca\n0.495056 0.857587 0.003248 Ca\n0.495691 0.857115 0.495870 Ca\n0.966150 0.387274 0.999419 Ca\n0.966227 0.390412 0.505404 Ca\n0.968218 0.866947 0.004306 Ca\n0.968928 0.870692 0.515312 Ca\n0.233113 0.394406 0.258835 Ca\n0.235323 0.399101 0.760016 Ca\n0.229444 0.862767 0.259713 Ca\n0.227272 0.870244 0.747335 Ca\n0.733872 0.387746 0.250081 Ca\n0.731585 0.388276 0.754298 Ca\n0.730499 0.863766 0.248497 Ca\n0.737580 0.861392 0.750248 Ca\n0.225985 0.120089 0.243890 Ca\n0.221496 0.111411 0.722771 Ca\n0.271096 0.627442 0.261568 Ca\n0.269150 0.628518 0.758180 Ca\n0.777011 0.116659 0.250942 Ca\n0.781734 0.123527 0.753943 Ca\n0.769095 0.625510 0.256821 Ca\n0.771077 0.624589 0.756282 Ca\n0.990306 0.986990 0.261237 Ti\n0.230234 0.993394 0.011770 Ti\n0.264823 0.232811 0.934790 Ti\n0.988917 0.255863 0.274229 Ti\n0.992266 0.994708 0.754775 Mn\n0.000772 0.503288 0.252595 Mn\n0.000826 0.503060 0.751166 Mn\n0.503457 0.993014 0.234139 Mn\n0.507145 0.986259 0.735179 Mn\n0.497850 0.504139 0.251733 Mn\n0.498431 0.503954 0.753265 Mn\n0.243210 0.996205 0.505414 Mn\n0.249939 0.507297 0.008323 Mn\n0.251002 0.502708 0.504732 Mn\n0.745517 0.995862 0.992335 Mn\n0.741608 0.998117 0.498767 Mn\n0.749924 0.503632 0.004476 Mn\n0.748719 0.503968 0.502809 Mn\n0.266420 0.244922 0.453324 Mn\n0.250532 0.749716 0.006190 Mn\n0.252019 0.749560 0.506130 Mn\n0.756259 0.250837 0.004037 Mn\n0.749290 0.252264 0.506223 Mn\n0.750662 0.745934 0.002088 Mn\n0.750316 0.746911 0.502269 Mn\n0.990599 0.257023 0.755209 Mn\n0.000648 0.746015 0.252659 Mn\n0.002904 0.748794 0.753412 Mn\n0.522232 0.255255 0.253117 Mn\n0.515530 0.253246 0.751793 Mn\n0.499327 0.746301 0.252885 Mn\n0.499316 0.746245 0.754270 Mn\n0.108657 0.776413 0.107663 O\n0.108524 0.773925 0.606735 O\n0.586705 0.258215 0.093073 O\n0.578714 0.257421 0.582165 O\n0.610492 0.763383 0.112562 O\n0.608840 0.765314 0.614239 O\n0.404837 0.194890 0.344995 O\n0.394999 0.178705 0.853294 O\n0.395912 0.728822 0.399567 O\n0.396933 0.729277 0.901871 O\n0.922580 0.239621 0.426437 O\n0.912113 0.239910 0.921109 O\n0.895059 0.728434 0.394074 O\n0.895293 0.730176 0.895536 O\n0.162029 0.253506 0.291976 O\n0.171281 0.249491 0.793267 O\n0.148939 0.733357 0.355258 O\n0.149509 0.734417 0.856235 O\n0.664589 0.223861 0.346195 O\n0.659334 0.225459 0.857987 O\n0.642941 0.727890 0.358826 O\n0.644510 0.725847 0.858731 O\n0.356782 0.773194 0.146784 O\n0.356698 0.771400 0.649962 O\n0.858512 0.271171 0.157307 O\n0.841740 0.276284 0.657472 O\n0.858926 0.769768 0.145109 O\n0.860139 0.768848 0.643816 O\n0.356969 0.482484 0.145802 O\n0.356806 0.485489 0.645976 O\n0.353925 0.022913 0.133121 O\n0.348484 0.996766 0.661191 O\n0.859108 0.481152 0.145836 O\n0.857595 0.481719 0.645405 O\n0.854149 0.979524 0.146277 O\n0.844670 0.977835 0.647761 O\n0.148070 0.006465 0.354397 O\n0.146309 0.022315 0.865862 O\n0.148058 0.519274 0.355475 O\n0.147742 0.518291 0.858308 O\n0.635268 0.028100 0.348335 O\n0.632408 0.029442 0.842364 O\n0.643049 0.520039 0.358023 O\n0.642452 0.519591 0.859838 O\n0.394906 0.520232 0.398215 O\n0.392545 0.515709 0.899059 O\n0.888248 0.011139 0.395274 O\n0.890240 0.016214 0.894041 O\n0.896732 0.520639 0.396372 O\n0.894930 0.517357 0.896003 O\n0.108476 0.474450 0.107659 O\n0.108890 0.478038 0.607606 O\n0.101445 0.976164 0.110810 O\n0.095897 0.984238 0.616002 O\n0.609217 0.484671 0.114167 O\n0.608301 0.485419 0.613782 O\n0.597460 0.988516 0.081228 O\n0.585603 0.991845 0.579189 O\n0.004356 0.380321 0.290141 O\n0.013777 0.378710 0.786012 O\n0.003316 0.869948 0.293377 O\n0.007739 0.871656 0.792228 O\n0.496886 0.376338 0.282288 O\n0.495196 0.377345 0.781232 O\n0.504952 0.870794 0.281701 O\n0.512352 0.871247 0.792104 O\n0.486229 0.624716 0.211843 O\n0.485959 0.626067 0.714561 O\n0.996535 0.127569 0.232246 O\n0.996474 0.134212 0.716123 O\n0.992988 0.625263 0.209446 O\n0.994281 0.624704 0.715380 O\n0.200736 0.152341 0.036909 O\n0.228979 0.127397 0.514947 O\n0.235313 0.631320 0.044611 O\n0.237024 0.627366 0.541913 O\n0.756093 0.125442 0.038378 O\n0.752426 0.124893 0.537858 O\n0.745748 0.623852 0.040853 O\n0.743264 0.625145 0.540640 O\n0.273187 0.368056 0.478849 O\n0.289642 0.339817 0.991490 O\n0.280500 0.880070 0.467534 O\n0.277974 0.886290 0.965957 O\n0.748947 0.377254 0.465760 O\n0.748281 0.376250 0.970711 O\n0.745839 0.873108 0.464555 O\n0.749202 0.871472 0.964423 O\n",
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"elements": [
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"density": 3.9995961201637096,
"density_atomic": 0.08282682645930173,
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"formula_full": "Ca32 Ti4 Mn28 O88",
"formula_reduced": "Ca8TiMn7O22",
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"updated_at": "2021-11-28T01:36:59.028000Z",
"spacegroup": 1
},
{
"id": "mp-704608",
"created_at": "2022-09-04T14:43:09.480766Z",
"structure_string": "Mo16 C24 S16 Cl80 O16\n1.0\n19.806537 0.000000 0.000000\n0.000000 11.926059 0.000000\n0.000000 1.412595 16.688336\nMo C S Cl O\n16 24 16 80 16\ndirect\n0.078976 0.679785 0.229160 Mo\n0.196486 0.765957 0.381794 Mo\n0.176476 0.758404 0.711960 Mo\n0.814394 0.232962 0.070683 Mo\n0.314394 0.267038 0.429317 Mo\n0.303514 0.265957 0.881794 Mo\n0.823524 0.241596 0.288040 Mo\n0.421024 0.179785 0.729160 Mo\n0.921024 0.320215 0.770840 Mo\n0.676476 0.741596 0.788040 Mo\n0.685606 0.732962 0.570683 Mo\n0.323524 0.258404 0.211960 Mo\n0.696486 0.734043 0.118206 Mo\n0.578976 0.820215 0.270840 Mo\n0.803514 0.234043 0.618206 Mo\n0.185606 0.767038 0.929317 Mo\n0.076224 0.242586 0.133590 C\n0.607588 0.346291 0.930642 C\n0.089391 0.253495 0.524167 C\n0.425293 0.628602 0.661892 C\n0.887576 0.647971 0.444348 C\n0.592023 0.236907 0.447840 C\n0.112424 0.352029 0.555652 C\n0.410609 0.753495 0.024167 C\n0.923776 0.757414 0.866410 C\n0.107588 0.153709 0.569358 C\n0.907977 0.736907 0.947840 C\n0.925293 0.871398 0.838108 C\n0.387576 0.852029 0.055652 C\n0.574707 0.371398 0.338108 C\n0.407977 0.763093 0.552160 C\n0.092023 0.263093 0.052160 C\n0.392412 0.653709 0.069358 C\n0.892412 0.846291 0.430642 C\n0.589391 0.246505 0.975833 C\n0.423776 0.742586 0.633590 C\n0.576224 0.257414 0.366410 C\n0.612424 0.147971 0.944348 C\n0.910609 0.746505 0.475833 C\n0.074707 0.128602 0.161892 C\n0.345247 0.665292 0.153383 S\n0.608042 0.350872 0.499664 S\n0.845247 0.834708 0.346617 S\n0.658550 0.162798 0.858413 S\n0.108042 0.149128 0.000336 S\n0.091585 0.032370 0.095127 S\n0.391958 0.649128 0.500336 S\n0.591585 0.467630 0.404873 S\n0.841450 0.662798 0.358413 S\n0.408415 0.532370 0.595127 S\n0.908415 0.967630 0.904873 S\n0.158550 0.337202 0.641587 S\n0.891958 0.850872 0.999664 S\n0.154753 0.165292 0.653383 S\n0.341450 0.837202 0.141587 S\n0.654753 0.334708 0.846617 S\n0.584324 0.475727 0.952207 Cl\n0.404080 0.891395 0.502926 Cl\n0.500648 0.053824 0.792726 Cl\n0.073150 0.783747 0.380725 Cl\n0.330195 0.086371 0.816276 Cl\n0.924479 0.193466 0.024704 Cl\n0.915676 0.975727 0.452207 Cl\n0.058772 0.346280 0.193206 Cl\n0.775589 0.064138 0.023204 Cl\n0.224411 0.935862 0.976796 Cl\n0.558235 0.418278 0.242923 Cl\n0.808913 0.741517 0.169043 Cl\n0.926850 0.216253 0.619275 Cl\n0.426850 0.283747 0.880725 Cl\n0.441765 0.581722 0.757077 Cl\n0.000648 0.446176 0.707274 Cl\n0.492550 0.690740 0.309515 Cl\n0.779166 0.729675 0.664770 Cl\n0.075521 0.806534 0.975296 Cl\n0.134450 0.637886 0.834410 Cl\n0.958280 0.744074 0.559834 Cl\n0.595920 0.108605 0.497074 Cl\n0.169805 0.586371 0.316276 Cl\n0.360668 0.410917 0.290550 Cl\n0.084324 0.024273 0.547793 Cl\n0.992550 0.809260 0.190485 Cl\n0.865550 0.362114 0.165590 Cl\n0.254573 0.385379 0.135102 Cl\n0.220834 0.270325 0.335230 Cl\n0.365550 0.137886 0.334410 Cl\n0.245427 0.885379 0.635102 Cl\n0.424479 0.306534 0.475296 Cl\n0.904080 0.608605 0.997074 Cl\n0.724411 0.564138 0.523204 Cl\n0.860668 0.089083 0.209450 Cl\n0.999352 0.553824 0.292726 Cl\n0.292232 0.457265 0.895775 Cl\n0.095920 0.391395 0.002926 Cl\n0.558772 0.153720 0.306794 Cl\n0.096093 0.482889 0.515949 Cl\n0.639332 0.589083 0.709450 Cl\n0.754573 0.114621 0.364898 Cl\n0.835977 0.170275 0.783349 Cl\n0.139332 0.910917 0.790550 Cl\n0.596093 0.017111 0.984051 Cl\n0.441228 0.846280 0.693206 Cl\n0.720834 0.229675 0.164770 Cl\n0.707768 0.542735 0.104225 Cl\n0.458280 0.755926 0.940166 Cl\n0.058235 0.081722 0.257077 Cl\n0.507450 0.309260 0.690485 Cl\n0.691087 0.241517 0.669043 Cl\n0.634450 0.862114 0.665590 Cl\n0.903907 0.517111 0.484051 Cl\n0.573150 0.716253 0.119275 Cl\n0.308913 0.758483 0.330957 Cl\n0.941765 0.918278 0.742923 Cl\n0.541720 0.244074 0.059834 Cl\n0.941228 0.653720 0.806794 Cl\n0.499352 0.946176 0.207274 Cl\n0.241711 0.604347 0.677162 Cl\n0.745427 0.614621 0.864898 Cl\n0.758289 0.395653 0.322838 Cl\n0.669805 0.913629 0.183724 Cl\n0.207768 0.957265 0.395775 Cl\n0.275589 0.435862 0.476796 Cl\n0.403907 0.982889 0.015949 Cl\n0.741711 0.895653 0.822838 Cl\n0.415676 0.524273 0.047793 Cl\n0.335977 0.329725 0.716651 Cl\n0.041720 0.255926 0.440166 Cl\n0.792232 0.042735 0.604225 Cl\n0.258289 0.104347 0.177162 Cl\n0.575521 0.693466 0.524704 Cl\n0.664023 0.670275 0.283349 Cl\n0.191087 0.258483 0.830957 Cl\n0.164023 0.829725 0.216651 Cl\n0.007450 0.190740 0.809515 Cl\n0.279166 0.770325 0.835230 Cl\n0.830195 0.413629 0.683724 Cl\n0.394028 0.247984 0.154617 O\n0.292412 0.205444 0.976111 O\n0.605972 0.752016 0.845383 O\n0.213837 0.668773 0.000522 O\n0.904699 0.382237 0.855946 O\n0.095301 0.617763 0.144054 O\n0.105972 0.747984 0.654617 O\n0.792412 0.294556 0.523889 O\n0.786163 0.331227 0.999478 O\n0.894028 0.252016 0.345383 O\n0.286163 0.168773 0.500522 O\n0.713837 0.831227 0.499478 O\n0.707588 0.794556 0.023889 O\n0.207588 0.705444 0.476111 O\n0.595301 0.882237 0.355946 O\n0.404699 0.117763 0.644054 O\n",
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"elements": [
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"C",
"S",
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"O"
],
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"formula_full": "Mo16 C24 S16 Cl80 O16",
"formula_reduced": "Mo2C3S2(Cl5O)2",
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"updated_at": "2021-11-28T01:36:00.305000Z",
"spacegroup": 14
},
{
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}