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{
"id": "mp-662605",
"created_at": "2022-09-04T14:39:12.163267Z",
"structure_string": "Na24 Si48 O108\n1.0\n9.437203 0.000000 0.000000\n0.000000 10.994783 0.000000\n0.000000 0.080424 19.420307\nNa Si O\n24 48 108\ndirect\n0.536558 0.483625 0.615939 Na\n0.551353 0.438239 0.204407 Na\n0.458126 0.669698 0.072542 Na\n0.463442 0.516375 0.384061 Na\n0.041874 0.169698 0.572542 Na\n0.044675 0.563615 0.386082 Na\n0.976624 0.427414 0.227766 Na\n0.541874 0.330302 0.927458 Na\n0.473807 0.105078 0.577283 Na\n0.948647 0.938239 0.704407 Na\n0.963442 0.983625 0.115939 Na\n0.026193 0.605078 0.077283 Na\n0.955325 0.436385 0.613918 Na\n0.023376 0.572586 0.772234 Na\n0.036558 0.016375 0.884061 Na\n0.448647 0.561761 0.795593 Na\n0.455325 0.063615 0.886082 Na\n0.526193 0.894922 0.422717 Na\n0.544675 0.936385 0.113918 Na\n0.523376 0.927414 0.727766 Na\n0.051353 0.061761 0.295593 Na\n0.973807 0.394922 0.922717 Na\n0.958126 0.830302 0.427458 Na\n0.476624 0.072586 0.272234 Na\n0.997344 0.272226 0.758431 Si\n0.235400 0.781017 0.803279 Si\n0.756676 0.876011 0.839450 Si\n0.999378 0.282238 0.079029 Si\n0.494771 0.781129 0.912982 Si\n0.740758 0.663240 0.153212 Si\n0.727808 0.440346 0.043453 Si\n0.772192 0.940346 0.543453 Si\n0.261290 0.693377 0.482639 Si\n0.724550 0.441383 0.754447 Si\n0.264600 0.281017 0.303279 Si\n0.739220 0.596436 0.509709 Si\n0.743324 0.376011 0.339450 Si\n0.224550 0.058617 0.745553 Si\n0.499378 0.217762 0.420971 Si\n0.759242 0.163240 0.653212 Si\n0.260780 0.403564 0.490291 Si\n0.241874 0.849249 0.155400 Si\n0.239220 0.903564 0.990291 Si\n0.774790 0.067376 0.393310 Si\n0.764600 0.218983 0.196721 Si\n0.497344 0.227774 0.741569 Si\n0.240758 0.836760 0.346788 Si\n0.758126 0.150751 0.844600 Si\n0.725210 0.567376 0.893310 Si\n0.735400 0.718983 0.696721 Si\n0.741874 0.650751 0.344600 Si\n0.738710 0.306623 0.517361 Si\n0.256676 0.623989 0.660550 Si\n0.274790 0.432624 0.106690 Si\n0.238710 0.193377 0.982639 Si\n0.258126 0.349249 0.655400 Si\n0.005229 0.281129 0.412982 Si\n0.243324 0.123989 0.160550 Si\n0.227808 0.059654 0.456547 Si\n0.760780 0.096436 0.009709 Si\n0.272192 0.559654 0.956547 Si\n0.259242 0.336760 0.846788 Si\n0.994771 0.718871 0.587018 Si\n0.502656 0.772226 0.258431 Si\n0.002656 0.727774 0.241569 Si\n0.000622 0.717762 0.920971 Si\n0.500622 0.782238 0.579029 Si\n0.761290 0.806623 0.017361 Si\n0.275450 0.558617 0.245553 Si\n0.505229 0.218871 0.087018 Si\n0.225210 0.932624 0.606690 Si\n0.775450 0.941383 0.254447 Si\n0.890179 0.170293 0.375725 O\n0.606614 0.354582 0.720419 O\n0.389593 0.256614 0.666979 O\n0.808998 0.000667 0.467248 O\n0.110004 0.824233 0.294112 O\n0.606339 0.224244 0.166082 O\n0.105487 0.835056 0.957483 O\n0.891866 0.597878 0.881301 O\n0.897352 0.690633 0.316829 O\n0.397396 0.102703 0.125991 O\n0.687357 0.456563 0.837241 O\n0.102604 0.602703 0.625991 O\n0.190492 0.922562 0.781466 O\n0.808855 0.015917 0.816208 O\n0.110407 0.756614 0.166979 O\n0.897396 0.397297 0.374009 O\n0.393791 0.097859 0.458625 O\n0.391866 0.902122 0.618699 O\n0.187357 0.043437 0.662759 O\n0.106188 0.370100 0.813067 O\n0.691002 0.500667 0.967248 O\n0.107544 0.718472 0.845496 O\n0.606209 0.902141 0.541375 O\n0.193790 0.956519 0.395661 O\n0.689749 0.450845 0.512431 O\n0.613891 0.332467 0.048657 O\n0.393386 0.645418 0.279581 O\n0.602648 0.190633 0.816829 O\n0.612271 0.330839 0.385156 O\n0.102648 0.309367 0.683171 O\n0.606188 0.129900 0.686933 O\n0.806210 0.043481 0.604339 O\n0.898838 0.283356 0.490252 O\n0.889996 0.175767 0.705888 O\n0.768063 0.641643 0.429358 O\n0.810251 0.950845 0.012431 O\n0.106614 0.145418 0.779581 O\n0.389996 0.324233 0.794112 O\n0.231937 0.358357 0.570642 O\n0.268063 0.858357 0.070642 O\n0.111291 0.592831 0.262023 O\n0.746304 0.806973 0.765186 O\n0.610004 0.675767 0.205888 O\n0.111861 0.285736 0.004172 O\n0.385271 0.898246 0.946876 O\n0.109821 0.829707 0.624275 O\n0.392456 0.218472 0.345496 O\n0.610407 0.743386 0.333021 O\n0.191002 0.999333 0.532752 O\n0.690492 0.577438 0.718534 O\n0.608134 0.097878 0.381301 O\n0.394513 0.335056 0.457483 O\n0.388709 0.092831 0.762023 O\n0.258356 0.215945 0.897837 O\n0.893386 0.854582 0.220419 O\n0.312643 0.543437 0.162759 O\n0.893791 0.402141 0.041375 O\n0.114729 0.398246 0.446876 O\n0.390179 0.329707 0.124275 O\n0.888709 0.407169 0.737977 O\n0.387729 0.669161 0.614844 O\n0.812643 0.956563 0.337241 O\n0.758356 0.284055 0.602163 O\n0.398838 0.216644 0.009748 O\n0.691145 0.515917 0.316208 O\n0.885271 0.601754 0.553124 O\n0.611861 0.214264 0.495828 O\n0.310251 0.549155 0.487569 O\n0.887729 0.830839 0.885156 O\n0.605487 0.664944 0.542517 O\n0.601162 0.783356 0.990252 O\n0.607544 0.781528 0.654504 O\n0.893661 0.724244 0.666082 O\n0.614729 0.101754 0.053124 O\n0.753696 0.306973 0.265186 O\n0.309508 0.422562 0.281466 O\n0.889593 0.243386 0.833021 O\n0.693790 0.543481 0.104339 O\n0.393661 0.775756 0.833918 O\n0.112271 0.169161 0.114844 O\n0.306210 0.456519 0.895661 O\n0.108134 0.402122 0.118699 O\n0.393812 0.870100 0.313067 O\n0.191145 0.984083 0.183792 O\n0.731937 0.141643 0.929358 O\n0.397352 0.809367 0.183171 O\n0.253696 0.193027 0.234814 O\n0.106339 0.275756 0.333918 O\n0.388139 0.785736 0.504172 O\n0.386109 0.667533 0.951343 O\n0.888139 0.714264 0.995828 O\n0.602604 0.897297 0.874009 O\n0.106209 0.597859 0.958625 O\n0.609821 0.670293 0.875725 O\n0.886109 0.832467 0.548657 O\n0.894513 0.164944 0.042517 O\n0.809508 0.077438 0.218534 O\n0.308855 0.484083 0.683792 O\n0.113891 0.167533 0.451343 O\n0.611291 0.907169 0.237977 O\n0.189749 0.049155 0.987569 O\n0.308998 0.499333 0.032752 O\n0.101162 0.716644 0.509748 O\n0.892456 0.281528 0.154504 O\n0.741644 0.784055 0.102163 O\n0.246304 0.693027 0.734814 O\n0.241644 0.715945 0.397837 O\n0.893812 0.629900 0.186933 O\n",
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"elements": [
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"density": 2.9895486474916035,
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"volume": 2015.051037073777,
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"formula_full": "Na24 Si48 O108",
"formula_reduced": "Na2Si4O9",
"formula_anonymous": "A2B4C9",
"energy": -1364.72204754,
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"updated_at": "2021-11-28T01:34:42.873000Z",
"spacegroup": 14
},
{
"id": "mp-1211748",
"created_at": "2022-09-04T14:39:12.171474Z",
"structure_string": "K6 Ta4 As2 S22\n1.0\n6.421676 7.315290 0.000000\n-6.421676 7.315290 0.000000\n0.000000 1.601676 9.529329\nK Ta As S\n6 4 2 22\ndirect\n0.908191 0.074522 0.076390 K\n0.074522 0.908191 0.576390 K\n0.539593 0.689765 0.667063 K\n0.689765 0.539593 0.167063 K\n0.301025 0.434815 0.332341 K\n0.434815 0.301025 0.832341 K\n0.340152 0.798797 0.054371 Ta\n0.798797 0.340152 0.554371 Ta\n0.467471 0.046443 0.238557 Ta\n0.046443 0.467471 0.738557 Ta\n0.683408 0.984817 0.501119 As\n0.984817 0.683408 0.001119 As\n0.367996 0.778664 0.307493 S\n0.778664 0.367996 0.807493 S\n0.674181 0.873064 0.306241 S\n0.873064 0.674181 0.806241 S\n0.569495 0.899375 0.028306 S\n0.899375 0.569495 0.528306 S\n0.948897 0.453758 0.357474 S\n0.453758 0.948897 0.857474 S\n0.218436 0.126483 0.295384 S\n0.126483 0.218436 0.795384 S\n0.459331 0.077961 0.491294 S\n0.077961 0.459331 0.991294 S\n0.165238 0.770851 0.259893 S\n0.770851 0.165238 0.759893 S\n0.420606 0.582847 0.001501 S\n0.582847 0.420606 0.501501 S\n0.572770 0.234309 0.150420 S\n0.234309 0.572770 0.650420 S\n0.273749 0.081108 0.090567 S\n0.081108 0.273749 0.590567 S\n0.835249 0.141415 0.406886 S\n0.141415 0.835249 0.906886 S\n",
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"elements": [
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"formula_full": "K6 Ta4 As2 S22",
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"formula_anonymous": "AB2C3D11",
"energy": -193.70949861,
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"spacegroup": 9
},
{
"id": "mp-1408906",
"created_at": "2022-09-04T14:39:12.194092Z",
"structure_string": "Mg1 Mn4 O8\n1.0\n-5.279668 0.000000 0.000000\n1.807911 5.531635 0.000000\n-0.045743 -2.897729 -5.226537\nMg Mn O\n1 4 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.958058 0.741460 0.742809 Mn\n0.002198 0.747801 0.253744 Mn\n0.041942 0.258540 0.257191 Mn\n0.997802 0.252199 0.746256 Mn\n0.781048 0.365816 0.865121 O\n0.795579 0.908557 0.335022 O\n0.819244 0.373725 0.392899 O\n0.784266 0.877834 0.903018 O\n0.180756 0.626275 0.607101 O\n0.215734 0.122166 0.096982 O\n0.218952 0.634184 0.134879 O\n0.204421 0.091443 0.664978 O\n",
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"elements": [
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],
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"density": 4.047427010928092,
"density_atomic": 0.08516657718807144,
"volume": 152.64203903947427,
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"formula_full": "Mg1 Mn4 O8",
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"formula_anonymous": "AB4C8",
"energy": -76.75960942,
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"spacegroup": 2
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{
"id": "mp-562004",
"created_at": "2022-09-04T14:39:12.198071Z",
"structure_string": "Ca4 Co8 Te12 Cl8 O32\n1.0\n9.291518 0.000000 0.000000\n0.000000 6.594132 0.000000\n0.000000 5.410614 18.390848\nCa Co Te Cl O\n4 8 12 8 32\ndirect\n0.113673 0.509713 0.730959 Ca\n0.386327 0.509713 0.230959 Ca\n0.886327 0.490287 0.269041 Ca\n0.613673 0.490287 0.769041 Ca\n0.243769 0.063888 0.323179 Co\n0.756231 0.936112 0.676821 Co\n0.457610 0.191688 0.680000 Co\n0.957610 0.808312 0.820000 Co\n0.256231 0.063888 0.823179 Co\n0.542390 0.808312 0.320000 Co\n0.042390 0.191688 0.180000 Co\n0.743769 0.936112 0.176821 Co\n0.296307 0.542499 0.891386 Te\n0.080897 0.777016 0.111704 Te\n0.392050 0.091636 0.138917 Te\n0.107950 0.091636 0.638917 Te\n0.419103 0.777016 0.611704 Te\n0.607950 0.908364 0.861083 Te\n0.580897 0.222984 0.388296 Te\n0.892050 0.908364 0.361083 Te\n0.919103 0.222984 0.888296 Te\n0.796307 0.457501 0.608614 Te\n0.703693 0.457501 0.108614 Te\n0.203693 0.542499 0.391386 Te\n0.675476 0.095890 0.046068 Cl\n0.824524 0.095890 0.546068 Cl\n0.324524 0.904110 0.953932 Cl\n0.109432 0.256545 0.049464 Cl\n0.175476 0.904110 0.453932 Cl\n0.609432 0.743455 0.450536 Cl\n0.390568 0.256545 0.549464 Cl\n0.890568 0.743455 0.950536 Cl\n0.012584 0.625404 0.354007 O\n0.268188 0.173318 0.206373 O\n0.806734 0.235543 0.175108 O\n0.231812 0.173318 0.706373 O\n0.021900 0.101232 0.824340 O\n0.228888 0.804156 0.649252 O\n0.979806 0.903824 0.704607 O\n0.512584 0.374596 0.145993 O\n0.736825 0.635087 0.169515 O\n0.057104 0.503066 0.177093 O\n0.728888 0.195844 0.850748 O\n0.020194 0.096176 0.295393 O\n0.768188 0.826682 0.293627 O\n0.193266 0.764457 0.824892 O\n0.271112 0.804156 0.149252 O\n0.693266 0.235543 0.675108 O\n0.978100 0.898768 0.175660 O\n0.236825 0.364913 0.330485 O\n0.521900 0.898768 0.675660 O\n0.442896 0.503066 0.677093 O\n0.306734 0.764457 0.324892 O\n0.557104 0.496934 0.322907 O\n0.731812 0.826682 0.793627 O\n0.263175 0.364913 0.830485 O\n0.479806 0.096176 0.795393 O\n0.771112 0.195844 0.350748 O\n0.987416 0.374596 0.645993 O\n0.942896 0.496934 0.822907 O\n0.478100 0.101232 0.324340 O\n0.520194 0.903824 0.204607 O\n0.487416 0.625404 0.854007 O\n0.763175 0.635087 0.669515 O\n",
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"density": 4.360002084802474,
"density_atomic": 0.056798113329163846,
"volume": 1126.7979911427487,
"volume_molar": 10.60271267304198,
"formula_full": "Ca4 Co8 Te12 Cl8 O32",
"formula_reduced": "CaCo2Te3(ClO4)2",
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"updated_at": "2021-11-28T01:34:37.363000Z",
"spacegroup": 14
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{
"id": "mp-555322",
"created_at": "2022-09-04T14:39:12.199849Z",
"structure_string": "Eu8 Si4 Cl8 O12\n1.0\n-5.614256 5.614256 4.823034\n5.614256 -5.614256 4.823034\n5.614256 5.614256 -4.823034\nEu Si Cl O\n8 4 8 12\ndirect\n0.691788 0.023305 0.169088 Eu\n0.145783 0.477300 0.169088 Eu\n0.854217 0.522700 0.830912 Eu\n0.522700 0.691788 0.668483 Eu\n0.023305 0.854217 0.331517 Eu\n0.308212 0.976695 0.830912 Eu\n0.477300 0.308212 0.331517 Eu\n0.976695 0.145783 0.668483 Eu\n0.317127 0.596990 0.914117 Si\n0.682873 0.403010 0.085883 Si\n0.596990 0.682873 0.279863 Si\n0.403010 0.317127 0.720137 Si\n0.797568 0.797568 0.000000 Cl\n0.095791 0.251959 0.347749 Cl\n0.251959 0.904209 0.156168 Cl\n0.904209 0.748041 0.652251 Cl\n0.750000 0.250000 0.500000 Cl\n0.748041 0.095791 0.843832 Cl\n0.250000 0.750000 0.500000 Cl\n0.202432 0.202432 0.000000 Cl\n0.550763 0.334738 0.885502 O\n0.483284 0.598991 0.375277 O\n0.449237 0.665262 0.114498 O\n0.108007 0.483284 0.884293 O\n0.598991 0.223714 0.115707 O\n0.891993 0.516716 0.115707 O\n0.223714 0.108007 0.624723 O\n0.334738 0.449237 0.783975 O\n0.401009 0.776286 0.884293 O\n0.776286 0.891993 0.375277 O\n0.516716 0.401009 0.624723 O\n0.665262 0.550763 0.216025 O\n",
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"elements": [
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],
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"formula_full": "Eu8 Si4 Cl8 O12",
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"energy": -279.19444294,
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"spacegroup": 87
},
{
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