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{
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{
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"structure_string": "Na8 Cu12 Si16 O48\n1.0\n7.628857 0.000000 0.000000\n0.000000 10.404849 0.000000\n0.000000 0.000000 13.726259\nNa Cu Si O\n8 12 16 48\ndirect\n0.039353 0.750000 0.168082 Na\n0.188008 0.750000 0.483624 Na\n0.460647 0.250000 0.668082 Na\n0.811992 0.250000 0.516376 Na\n0.311992 0.250000 0.983624 Na\n0.539353 0.750000 0.331918 Na\n0.960647 0.250000 0.831918 Na\n0.688008 0.750000 0.016376 Na\n0.265668 0.250000 0.218447 Cu\n0.252575 0.750000 0.942947 Cu\n0.747425 0.250000 0.057053 Cu\n0.247425 0.250000 0.442947 Cu\n0.000000 0.500000 0.000000 Cu\n0.752575 0.750000 0.557053 Cu\n0.734332 0.750000 0.781553 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.765668 0.250000 0.281553 Cu\n0.000000 0.000000 0.000000 Cu\n0.234332 0.750000 0.718447 Cu\n0.819749 0.969051 0.376172 Si\n0.279339 0.475186 0.837564 Si\n0.319749 0.969051 0.123828 Si\n0.720661 0.524814 0.162436 Si\n0.680251 0.030949 0.876172 Si\n0.319749 0.530949 0.123828 Si\n0.779339 0.475186 0.662436 Si\n0.220661 0.975186 0.337564 Si\n0.279339 0.024814 0.837564 Si\n0.220661 0.524814 0.337564 Si\n0.180251 0.469051 0.623828 Si\n0.819749 0.530949 0.376172 Si\n0.720661 0.975186 0.162436 Si\n0.779339 0.024814 0.662436 Si\n0.180251 0.030949 0.623828 Si\n0.680251 0.469051 0.876172 Si\n0.790440 0.377774 0.381479 O\n0.971552 0.425830 0.619650 O\n0.735400 0.132071 0.170337 O\n0.736476 0.911192 0.272907 O\n0.235400 0.367929 0.329663 O\n0.236476 0.588808 0.227093 O\n0.709560 0.877774 0.881479 O\n0.217307 0.607264 0.034959 O\n0.709560 0.622226 0.881479 O\n0.869744 0.907802 0.096031 O\n0.236476 0.911192 0.227093 O\n0.528448 0.574170 0.119650 O\n0.736476 0.588808 0.272907 O\n0.264600 0.632071 0.829663 O\n0.471552 0.074170 0.880350 O\n0.869744 0.592198 0.096031 O\n0.630256 0.092198 0.596031 O\n0.290440 0.377774 0.118521 O\n0.764600 0.632071 0.670337 O\n0.130256 0.407802 0.903969 O\n0.235400 0.132071 0.329663 O\n0.763524 0.088808 0.772907 O\n0.217307 0.892736 0.034959 O\n0.028448 0.574170 0.380350 O\n0.717307 0.607264 0.465041 O\n0.782693 0.392736 0.965041 O\n0.369744 0.907802 0.403969 O\n0.763524 0.411192 0.772907 O\n0.209560 0.622226 0.618521 O\n0.263524 0.088808 0.727093 O\n0.971552 0.074170 0.619650 O\n0.282693 0.107264 0.534959 O\n0.264600 0.867929 0.829663 O\n0.369744 0.592198 0.403969 O\n0.263524 0.411192 0.727093 O\n0.764600 0.867929 0.670337 O\n0.130256 0.092198 0.903969 O\n0.290440 0.122226 0.118521 O\n0.782693 0.107264 0.965041 O\n0.630256 0.407802 0.596031 O\n0.028448 0.925830 0.380350 O\n0.790440 0.122226 0.381479 O\n0.282693 0.392736 0.534959 O\n0.471552 0.425830 0.880350 O\n0.717307 0.892736 0.465041 O\n0.735400 0.367929 0.170337 O\n0.528448 0.925830 0.119650 O\n0.209560 0.877774 0.618521 O\n",
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"O"
],
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"formula_full": "Na8 Cu12 Si16 O48",
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"spacegroup": 62
},
{
"id": "mp-675637",
"created_at": "2022-09-04T14:43:35.445074Z",
"structure_string": "Ge5 Te8 As2\n1.0\n2.973782 6.597908 0.000000\n-2.973782 6.597908 0.000000\n0.000000 5.312264 10.590450\nGe Te As\n5 8 2\ndirect\n0.000000 0.000000 0.000000 Ge\n0.249601 0.249601 0.125639 Ge\n0.496893 0.496893 0.253136 Ge\n0.750399 0.750399 0.874361 Ge\n0.503107 0.503107 0.746864 Ge\n0.750709 0.750709 0.125278 Te\n0.999207 0.999207 0.249911 Te\n0.500000 0.500000 0.500000 Te\n0.250818 0.250818 0.375418 Te\n0.000793 0.000793 0.750089 Te\n0.749182 0.749182 0.624582 Te\n0.500000 0.500000 0.000000 Te\n0.249291 0.249291 0.874722 Te\n0.749914 0.749914 0.375392 As\n0.250086 0.250086 0.624608 As\n",
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"formula_full": "Ge5 Te8 As2",
"formula_reduced": "Ge5(Te4As)2",
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"energy": -61.02155789,
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"updated_at": "2021-11-28T01:36:23.814000Z",
"spacegroup": 12
},
{
"id": "mp-542180",
"created_at": "2022-09-04T14:43:35.453931Z",
"structure_string": "Th2 Te4 I4\n1.0\n7.237583 3.918738 0.000000\n-7.237583 3.918738 0.000000\n0.000000 2.652336 7.667282\nTh Te I\n2 4 4\ndirect\n0.857217 0.142783 0.500000 Th\n0.142783 0.857217 0.500000 Th\n0.119935 0.119935 0.175127 Te\n0.880065 0.880065 0.824873 Te\n0.668628 0.668628 0.611387 Te\n0.331372 0.331372 0.388613 Te\n0.020996 0.440201 0.743180 I\n0.559799 0.979004 0.256820 I\n0.979004 0.559799 0.256820 I\n0.440201 0.020996 0.743180 I\n",
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{
"id": "mp-677336",
"created_at": "2022-09-04T14:43:35.463566Z",
"structure_string": "Na20 Zr12 Si14 P4 O72\n1.0\n-9.244085 0.000000 0.000000\n4.613177 8.117029 0.000000\n-0.019111 -0.394550 -22.753959\nNa Zr Si P O\n20 12 14 4 72\ndirect\n0.552571 0.753964 0.052114 Na\n0.478505 0.790003 0.226594 Na\n0.112803 0.841394 0.134971 Na\n0.530187 0.433184 0.214638 Na\n0.049714 0.500831 0.298164 Na\n0.117071 0.463962 0.091721 Na\n0.269083 0.154008 0.369473 Na\n0.983348 0.031325 0.024832 Na\n0.801831 0.250840 0.447729 Na\n0.021131 0.014934 0.501694 Na\n0.212432 0.784264 0.533169 Na\n0.744086 0.862515 0.627602 Na\n0.689175 0.618590 0.414326 Na\n0.898244 0.451581 0.704024 Na\n0.446331 0.522498 0.801212 Na\n0.712122 0.370407 0.857394 Na\n0.870144 0.105507 0.877938 Na\n0.411601 0.188520 0.971282 Na\n0.392560 0.087073 0.745375 Na\n0.323137 0.687024 0.683513 Na\n0.801899 0.610583 0.044185 Zr\n0.526705 0.054947 0.115875 Zr\n0.473409 0.950612 0.380132 Zr\n0.194605 0.390063 0.453187 Zr\n0.134682 0.270343 0.215923 Zr\n0.141321 0.280796 0.710124 Zr\n0.862935 0.731387 0.284607 Zr\n0.865799 0.720253 0.786394 Zr\n0.804355 0.605780 0.550047 Zr\n0.528921 0.067265 0.616163 Zr\n0.462866 0.934436 0.882029 Zr\n0.195957 0.397612 0.950822 Zr\n0.801290 0.899265 0.155154 Si\n0.286850 0.998918 0.248021 Si\n0.232718 0.773665 0.011436 Si\n0.426434 0.565526 0.321732 Si\n0.372364 0.334602 0.083147 Si\n0.465112 0.234103 0.488173 Si\n0.956927 0.327947 0.582798 Si\n0.906216 0.100485 0.347481 Si\n0.096487 0.889899 0.655152 Si\n0.046505 0.673119 0.418010 Si\n0.132315 0.565038 0.819664 Si\n0.625154 0.668140 0.916728 Si\n0.571379 0.443504 0.681196 Si\n0.760265 0.225156 0.986117 Si\n0.858710 0.436229 0.177283 P\n0.531931 0.771754 0.513554 P\n0.709558 0.002447 0.750492 P\n0.202767 0.107862 0.845275 P\n0.701296 0.272926 0.161336 O\n0.667378 0.098084 0.039184 O\n0.839365 0.820706 0.095625 O\n0.395931 0.172870 0.089163 O\n0.635673 0.915575 0.142742 O\n0.756878 0.782031 0.212638 O\n0.383303 0.020962 0.310501 O\n0.381391 0.967740 0.192506 O\n0.342759 0.839140 0.072265 O\n0.438383 0.744784 0.333244 O\n0.611495 0.583830 0.313198 O\n0.554599 0.497804 0.071789 O\n0.098427 0.838777 0.247629 O\n0.378031 0.600027 0.501796 O\n0.053804 0.760291 0.023986 O\n0.220599 0.592375 0.999403 O\n0.318457 0.495432 0.260206 O\n0.342684 0.448213 0.378821 O\n0.287933 0.375129 0.139652 O\n0.512935 0.161680 0.430360 O\n0.248482 0.294849 0.024990 O\n0.057896 0.505510 0.431509 O\n0.292530 0.236747 0.477088 O\n0.438113 0.116595 0.545439 O\n0.907796 0.553148 0.123417 O\n0.011594 0.414564 0.189780 O\n0.277952 0.169146 0.239775 O\n0.076115 0.377516 0.641846 O\n0.820424 0.508995 0.232542 O\n0.031595 0.282386 0.525722 O\n0.998164 0.222581 0.292327 O\n0.017785 0.178543 0.408225 O\n0.118640 0.069941 0.675487 O\n0.282188 0.905106 0.650095 O\n0.968827 0.076777 0.165979 O\n0.233929 0.831322 0.419048 O\n0.775348 0.167603 0.597949 O\n0.053228 0.936961 0.828945 O\n0.723852 0.081098 0.359140 O\n0.901477 0.924577 0.335966 O\n0.995572 0.834197 0.592041 O\n0.994396 0.758942 0.707477 O\n0.945898 0.706269 0.472776 O\n0.168251 0.491173 0.758694 O\n0.940437 0.638565 0.356636 O\n0.734340 0.854374 0.765764 O\n0.958742 0.569949 0.811268 O\n0.108467 0.445435 0.874636 O\n0.563184 0.884496 0.461504 O\n0.692412 0.761269 0.525340 O\n0.932913 0.489217 0.571752 O\n0.736842 0.717026 0.976616 O\n0.492537 0.839295 0.571734 O\n0.710817 0.628244 0.860317 O\n0.669711 0.567640 0.627938 O\n0.673104 0.509100 0.744369 O\n0.773890 0.404102 0.001184 O\n0.941760 0.235936 0.974703 O\n0.623836 0.419570 0.500766 O\n0.880621 0.155385 0.737967 O\n0.441656 0.502970 0.924048 O\n0.390225 0.429889 0.692583 O\n0.557941 0.261785 0.669186 O\n0.651651 0.160802 0.923404 O\n0.630065 0.048701 0.802527 O\n0.591793 0.951706 0.695814 O\n0.233604 0.227323 0.794007 O\n0.366384 0.100060 0.852035 O\n0.600334 0.826760 0.900829 O\n0.161361 0.167414 0.903379 O\n0.323176 0.892364 0.955070 O\n0.293844 0.749102 0.829223 O\n",
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"volume": 1707.3320736431756,
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"formula_full": "Na20 Zr12 Si14 P4 O72",
"formula_reduced": "Na10Zr6Si7(PO18)2",
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"energy": -964.30715245,
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"updated_at": "2021-11-28T01:36:17.210000Z",
"spacegroup": 1
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{
"id": "mp-1193081",
"created_at": "2022-09-04T14:43:35.476052Z",
"structure_string": "Cs12 Cr4 O14\n1.0\n-5.976991 -0.000127 4.282697\n-0.000234 -9.932075 -0.000032\n5.994024 0.000168 8.120148\nCs Cr O\n12 4 14\ndirect\n0.624047 0.286007 0.720062 Cs\n0.875976 0.786000 0.779941 Cs\n0.375964 0.713995 0.279942 Cs\n0.124036 0.214012 0.220054 Cs\n0.252677 0.972762 0.549536 Cs\n0.247344 0.472757 0.950466 Cs\n0.747340 0.027262 0.450470 Cs\n0.752680 0.527241 0.049538 Cs\n0.370464 0.855624 0.916535 Cs\n0.129540 0.355632 0.583471 Cs\n0.629547 0.144397 0.083462 Cs\n0.870452 0.644370 0.416535 Cs\n0.045102 0.133705 0.872210 Cr\n0.545006 0.366232 0.372218 Cr\n0.454904 0.633794 0.627772 Cr\n0.954926 0.866216 0.127786 Cr\n0.500009 0.500002 0.499976 O\n0.000019 0.999995 0.000009 O\n0.549925 0.582449 0.784155 O\n0.950086 0.082443 0.715805 O\n0.450064 0.417582 0.215820 O\n0.049928 0.917548 0.284187 O\n0.568314 0.782474 0.569225 O\n0.931716 0.282433 0.930770 O\n0.431630 0.217512 0.430795 O\n0.068342 0.717512 0.069231 O\n0.214169 0.660579 0.638246 O\n0.285848 0.160568 0.861767 O\n0.785753 0.339462 0.361764 O\n0.714190 0.839435 0.138251 O\n",
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"formula_full": "Cs12 Cr4 O14",
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{
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