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{
"id": "mp-1029275",
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{
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"structure_string": "Y6 Si6 Ir12\n1.0\n2.790792 -4.833794 0.000000\n2.790792 4.833794 0.000000\n0.000000 0.000000 15.196176\nY Si Ir\n6 6 12\ndirect\n0.333333 0.666667 0.539101 Y\n0.666667 0.333333 0.460899 Y\n0.666667 0.333333 0.039101 Y\n0.333333 0.666667 0.960899 Y\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n0.000000 0.000000 0.250000 Si\n0.000000 0.000000 0.750000 Si\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.167456 0.334912 0.130523 Ir\n0.832544 0.665088 0.869477 Ir\n0.665088 0.832544 0.130523 Ir\n0.832544 0.665088 0.630523 Ir\n0.334912 0.167456 0.869477 Ir\n0.167456 0.334912 0.369477 Ir\n0.167456 0.832544 0.130523 Ir\n0.334912 0.167456 0.630523 Ir\n0.832544 0.167456 0.869477 Ir\n0.665088 0.832544 0.369477 Ir\n0.832544 0.167456 0.630523 Ir\n0.167456 0.832544 0.369477 Ir\n",
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{
"id": "mp-674350",
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"structure_string": "Ti1 Pb9 O11\n1.0\n9.176480 0.000000 0.000000\n0.000000 9.176480 0.000000\n0.000000 0.000000 4.734389\nTi Pb O\n1 9 11\ndirect\n0.500000 0.500000 0.007636 Ti\n0.302044 0.901495 0.758466 Pb\n0.400155 0.201622 0.254623 Pb\n0.098505 0.302044 0.758466 Pb\n0.201622 0.599845 0.254623 Pb\n0.901495 0.697956 0.758466 Pb\n0.000000 0.000000 0.242440 Pb\n0.697956 0.098505 0.758466 Pb\n0.798378 0.400155 0.254623 Pb\n0.599845 0.798378 0.254623 Pb\n0.404616 0.695027 0.978560 O\n0.197662 0.106750 0.002851 O\n0.304973 0.404616 0.978560 O\n0.000000 0.500000 0.011532 O\n0.106750 0.802338 0.002851 O\n0.802338 0.893250 0.002851 O\n0.893250 0.197662 0.002851 O\n0.595384 0.304973 0.978560 O\n0.500000 0.500000 0.379326 O\n0.695027 0.595384 0.978560 O\n0.500000 0.000000 0.011532 O\n",
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{
"id": "mp-1197845",
"created_at": "2022-09-04T14:43:17.663108Z",
"structure_string": "Sr4 U8 I8 O52\n1.0\n0.000000 -6.963605 0.000000\n-7.814209 0.000000 1.281186\n-0.018564 0.000000 -21.801493\nSr U I O\n4 8 8 52\ndirect\n0.626621 0.134168 0.631455 Sr\n0.126621 0.865832 0.868545 Sr\n0.373379 0.865832 0.368545 Sr\n0.873379 0.134168 0.131455 Sr\n0.823481 0.611565 0.625645 U\n0.323481 0.388435 0.874355 U\n0.176519 0.388435 0.374355 U\n0.676519 0.611565 0.125645 U\n0.803781 0.473794 0.779651 U\n0.303781 0.526206 0.720349 U\n0.196219 0.526206 0.220349 U\n0.696219 0.473794 0.279651 U\n0.819780 0.835461 0.471132 I\n0.319780 0.164539 0.028868 I\n0.180220 0.164539 0.528868 I\n0.680220 0.835461 0.971132 I\n0.324836 0.701483 0.550424 I\n0.824836 0.298517 0.949576 I\n0.675164 0.298517 0.449576 I\n0.175164 0.701483 0.050424 I\n0.910833 0.683968 0.520497 O\n0.410833 0.316032 0.979503 O\n0.089167 0.316032 0.479503 O\n0.589167 0.683968 0.020497 O\n0.562833 0.781738 0.466370 O\n0.062833 0.218262 0.033630 O\n0.437167 0.218262 0.533630 O\n0.937167 0.781738 0.966370 O\n0.818040 0.029409 0.530238 O\n0.318040 0.970591 0.969762 O\n0.181960 0.970591 0.469762 O\n0.681960 0.029409 0.030238 O\n0.185187 0.616788 0.611660 O\n0.685187 0.383212 0.888340 O\n0.814813 0.383212 0.388340 O\n0.314813 0.616788 0.111660 O\n0.544568 0.591040 0.567907 O\n0.044568 0.408960 0.932093 O\n0.455432 0.408960 0.432093 O\n0.955432 0.591040 0.067907 O\n0.357389 0.916355 0.592316 O\n0.857389 0.083645 0.907684 O\n0.642611 0.083645 0.407684 O\n0.142611 0.916355 0.092316 O\n0.842795 0.376543 0.596430 O\n0.342795 0.623457 0.903570 O\n0.157205 0.623457 0.403570 O\n0.657205 0.376543 0.096430 O\n0.788622 0.845262 0.648287 O\n0.288622 0.154738 0.851713 O\n0.211378 0.154738 0.351713 O\n0.711378 0.845262 0.148287 O\n0.615687 0.551472 0.696013 O\n0.115687 0.448528 0.803987 O\n0.384313 0.448528 0.303987 O\n0.884313 0.551472 0.196013 O\n0.808776 0.254723 0.732305 O\n0.308776 0.745277 0.767695 O\n0.191224 0.745277 0.267695 O\n0.691224 0.254723 0.232305 O\n0.804388 0.690840 0.827427 O\n0.304388 0.309160 0.672573 O\n0.195612 0.309160 0.172573 O\n0.695612 0.690840 0.327427 O\n0.986990 0.572688 0.708072 O\n0.486990 0.427312 0.791928 O\n0.013010 0.427312 0.291928 O\n0.513010 0.572688 0.208072 O\n0.515354 0.025845 0.735262 O\n0.015354 0.974155 0.764738 O\n0.484646 0.974155 0.264738 O\n0.984646 0.025845 0.235262 O\n",
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"volume": 1186.4952776568866,
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"formula_full": "Sr4 U8 I8 O52",
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"spacegroup": 14
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{
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"created_at": "2022-09-04T14:43:17.663914Z",
"structure_string": "Mg1 Pt5\n1.0\n1.405019 -7.206094 0.000000\n1.405019 7.206094 0.000000\n0.000000 0.000000 4.670215\nMg Pt\n1 5\ndirect\n0.784262 0.215738 0.500000 Mg\n0.991202 0.008798 0.000000 Pt\n0.326562 0.673438 0.000000 Pt\n0.659145 0.340855 0.000000 Pt\n0.448158 0.551842 0.500000 Pt\n0.123911 0.876089 0.500000 Pt\n",
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{
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"structure_string": "Mo4 P4 Ru4\n1.0\n12.677717 0.000000 0.000000\n0.000000 5.704738 0.000000\n0.000000 0.000000 6.105199\nMo P Ru\n4 4 4\ndirect\n0.750000 0.071769 0.157612 Mo\n0.250000 0.928231 0.842388 Mo\n0.750000 0.571769 0.342388 Mo\n0.250000 0.428231 0.657612 Mo\n0.250000 0.295303 0.020991 P\n0.750000 0.704697 0.979009 P\n0.250000 0.795303 0.479009 P\n0.750000 0.204697 0.520991 P\n0.250000 0.667751 0.129914 Ru\n0.750000 0.332249 0.870086 Ru\n0.250000 0.167751 0.370086 Ru\n0.750000 0.832249 0.629914 Ru\n",
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{
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{
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{
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"formula_reduced": "NaLiFePO4F",
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"spacegroup": 62
},
{
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"created_at": "2022-09-04T14:43:18.928061Z",
"structure_string": "Li4 S2 O8\n1.0\n5.390823 0.000000 0.000000\n-0.030169 5.400631 0.000000\n-0.070266 -0.175240 5.669974\nLi S O\n4 2 8\ndirect\n0.489831 0.986153 0.619903 Li\n0.016964 0.518308 0.382584 Li\n0.494745 0.986737 0.119928 Li\n0.005401 0.508324 0.884089 Li\n0.992516 0.012206 0.000734 S\n0.505056 0.490157 0.498187 S\n0.030328 0.245321 0.143600 O\n0.956703 0.793257 0.150328 O\n0.764325 0.040859 0.853962 O\n0.528495 0.249244 0.366778 O\n0.290938 0.470392 0.658681 O\n0.217126 0.967885 0.855694 O\n0.744434 0.543604 0.626766 O\n0.453390 0.701786 0.342191 O\n",
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"elements": [
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"chemical_system": "Li-O-S",
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"formula_full": "Li4 S2 O8",
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"updated_at": "2021-11-28T01:36:01.491000Z",
"spacegroup": 1
},
{
"id": "mp-862262",
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"structure_string": "La1 Cd1 Hg2\n1.0\n0.000000 3.732614 3.732614\n3.732614 0.000000 3.732614\n3.732614 3.732614 0.000000\nLa Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"density": 10.417368484311014,
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"updated_at": "2021-11-28T01:36:12.059000Z",
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]
}