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{
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{
"id": "mp-1098702",
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"structure_string": "Ce2 Se4\n1.0\n2.150890 -3.725451 0.000000\n2.150890 3.725451 0.000000\n0.000000 0.000000 23.856361\nCe Se\n2 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.666667 0.333333 0.939359 Se\n0.333333 0.666667 0.060641 Se\n0.333333 0.666667 0.439359 Se\n0.666667 0.333333 0.560641 Se\n",
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{
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"spacegroup": 38
},
{
"id": "mp-1190530",
"created_at": "2022-09-04T14:40:55.266985Z",
"structure_string": "Ba3 Ge16 Ir4\n1.0\n-3.298504 3.298504 11.352434\n3.298504 -3.298504 11.352434\n3.298504 3.298504 -11.352434\nBa Ge Ir\n3 16 4\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.115446 0.115446 0.491152 Ge\n0.624294 0.624294 0.508848 Ge\n0.115446 0.624294 0.000000 Ge\n0.624294 0.115446 0.000000 Ge\n0.884554 0.884554 0.508848 Ge\n0.375706 0.375706 0.491152 Ge\n0.884554 0.375706 0.000000 Ge\n0.375706 0.884554 0.000000 Ge\n0.223919 0.500000 0.723919 Ge\n0.776081 0.500000 0.276081 Ge\n0.500000 0.776081 0.276081 Ge\n0.500000 0.223919 0.723919 Ge\n0.805574 0.805574 0.000000 Ge\n0.194426 0.194426 0.000000 Ge\n0.692418 0.692418 0.000000 Ge\n0.307582 0.307582 0.000000 Ge\n0.910626 0.410626 0.500000 Ir\n0.410626 0.910626 0.500000 Ir\n0.089374 0.589374 0.500000 Ir\n0.589374 0.089374 0.500000 Ir\n",
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"spacegroup": 139
},
{
"id": "mp-1036243",
"created_at": "2022-09-04T14:40:55.276340Z",
"structure_string": "Ca1 Mg14 C1 O16\n1.0\n4.295731 0.000000 0.000000\n0.000000 8.561867 0.000000\n0.000000 0.000000 8.585716\nCa Mg C O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.741702 0.000000 Mg\n0.500000 0.258298 0.000000 Mg\n0.500000 0.749583 0.500000 Mg\n0.500000 0.250417 0.500000 Mg\n0.500000 0.000000 0.744727 Mg\n0.500000 0.500000 0.753239 Mg\n0.500000 0.000000 0.255273 Mg\n0.500000 0.500000 0.246761 Mg\n0.000000 0.745236 0.748847 Mg\n0.000000 0.254764 0.748847 Mg\n0.000000 0.745236 0.251153 Mg\n0.000000 0.254764 0.251153 Mg\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.737164 O\n0.000000 0.500000 0.746891 O\n0.000000 0.000000 0.262836 O\n0.000000 0.500000 0.253109 O\n0.500000 0.749805 0.751516 O\n0.500000 0.250195 0.751516 O\n0.500000 0.749805 0.248484 O\n0.500000 0.250195 0.248484 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.737033 0.000000 O\n0.000000 0.262967 0.000000 O\n0.000000 0.747413 0.500000 O\n0.000000 0.252587 0.500000 O\n",
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"elements": [
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"volume": 315.77814835561816,
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"formula_full": "Ca1 Mg14 C1 O16",
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"spacegroup": 47
},
{
"id": "mp-1196190",
"created_at": "2022-09-04T14:40:55.280369Z",
"structure_string": "K2 H50 C26 N4 O16\n1.0\n14.716882 0.000000 0.000000\n0.000000 8.615680 0.000000\n0.000000 1.897168 8.431213\nK H C N O\n2 50 26 4 16\ndirect\n0.247408 0.821291 0.261929 K\n0.752592 0.821291 0.761929 K\n0.264131 0.725401 0.702322 H\n0.735869 0.725401 0.202322 H\n0.517967 0.817521 0.321932 H\n0.482033 0.817521 0.821932 H\n0.554315 0.793568 0.130994 H\n0.445685 0.793568 0.630994 H\n0.432212 0.586042 0.138815 H\n0.567788 0.586042 0.638815 H\n0.519184 0.533683 0.286960 H\n0.480816 0.533683 0.786960 H\n0.412934 0.350322 0.454652 H\n0.587066 0.350322 0.954652 H\n0.334005 0.402600 0.293895 H\n0.665995 0.402600 0.793895 H\n0.262837 0.293666 0.559632 H\n0.737163 0.293666 0.059632 H\n0.303252 0.464939 0.626399 H\n0.696748 0.464939 0.126399 H\n0.144229 0.540663 0.654798 H\n0.855771 0.540663 0.154798 H\n0.107289 0.371515 0.582355 H\n0.892711 0.371515 0.082355 H\n0.038528 0.557271 0.344199 H\n0.961472 0.557271 0.844199 H\n0.988683 0.573103 0.528967 H\n0.011317 0.573103 0.028967 H\n0.943810 0.850096 0.426247 H\n0.056190 0.850096 0.926247 H\n0.983840 0.825614 0.237786 H\n0.016160 0.825614 0.737786 H\n0.979381 0.109684 0.272837 H\n0.020619 0.109684 0.772837 H\n0.065930 0.058706 0.422168 H\n0.934070 0.058706 0.922168 H\n0.164417 0.244526 0.262081 H\n0.835583 0.244526 0.762081 H\n0.085212 0.291745 0.100674 H\n0.914788 0.291745 0.600674 H\n0.197756 0.165026 0.937458 H\n0.802244 0.165026 0.437458 H\n0.233702 0.346958 0.990119 H\n0.766298 0.346958 0.490119 H\n0.394142 0.273722 0.979728 H\n0.605858 0.273722 0.479728 H\n0.354253 0.104064 0.909892 H\n0.645747 0.104064 0.409892 H\n0.511083 0.071289 0.035630 H\n0.488917 0.071289 0.535630 H\n0.460761 0.087341 0.220120 H\n0.539239 0.087341 0.720120 H\n0.495260 0.784004 0.211656 C\n0.504740 0.784004 0.711656 C\n0.461183 0.614708 0.247453 C\n0.538817 0.614708 0.747453 C\n0.358491 0.434815 0.403561 C\n0.641509 0.434815 0.903561 C\n0.281716 0.420458 0.521199 C\n0.718284 0.420458 0.021199 C\n0.128334 0.497704 0.546078 C\n0.871666 0.497704 0.046078 C\n0.051573 0.594567 0.457006 C\n0.948427 0.594567 0.957006 C\n0.004249 0.860068 0.348948 C\n0.995751 0.860068 0.848948 C\n0.037621 0.029660 0.313286 C\n0.962379 0.029660 0.813286 C\n0.140067 0.209049 0.153830 C\n0.859933 0.209049 0.653830 C\n0.217130 0.219974 0.037050 C\n0.782870 0.219974 0.537050 C\n0.371688 0.148177 0.017171 C\n0.628312 0.148177 0.517171 C\n0.448004 0.050592 0.107009 C\n0.551996 0.050592 0.607009 C\n0.252198 0.823956 0.762656 C\n0.747802 0.823956 0.262656 C\n0.238407 0.797680 0.920201 N\n0.761593 0.797680 0.420201 N\n0.251697 0.977186 0.682363 N\n0.748303 0.977186 0.182363 N\n0.423742 0.886323 0.138067 O\n0.576258 0.886323 0.638067 O\n0.393271 0.594062 0.368433 O\n0.606729 0.594062 0.868433 O\n0.206121 0.511972 0.445971 O\n0.793879 0.511972 0.945971 O\n0.075641 0.758683 0.425612 O\n0.924359 0.758683 0.925612 O\n0.105856 0.049631 0.193060 O\n0.894144 0.049631 0.693060 O\n0.294295 0.138305 0.117957 O\n0.705705 0.138305 0.617957 O\n0.240119 0.651293 0.995447 O\n0.759881 0.651293 0.495447 O\n0.266357 0.999273 0.532797 O\n0.733643 0.999273 0.032797 O\n",
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{
"id": "mp-1232066",
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"structure_string": "Dy8 Mg4 Se16\n1.0\n4.018455 0.000000 0.000000\n0.000000 13.158307 0.000000\n0.000000 0.000000 14.097187\nDy Mg Se\n8 4 16\ndirect\n0.250000 0.115604 0.073758 Dy\n0.750000 0.884396 0.926242 Dy\n0.750000 0.384396 0.573758 Dy\n0.250000 0.615604 0.426242 Dy\n0.250000 0.142831 0.702943 Dy\n0.750000 0.857169 0.297057 Dy\n0.750000 0.357169 0.202943 Dy\n0.250000 0.642831 0.797057 Dy\n0.750000 0.110999 0.453672 Mg\n0.250000 0.889001 0.546328 Mg\n0.250000 0.389001 0.953672 Mg\n0.750000 0.610999 0.046328 Mg\n0.750000 0.008889 0.617303 Se\n0.250000 0.991111 0.382697 Se\n0.250000 0.491111 0.117303 Se\n0.750000 0.508889 0.882697 Se\n0.250000 0.028510 0.880868 Se\n0.750000 0.971490 0.119132 Se\n0.750000 0.471490 0.380868 Se\n0.250000 0.528510 0.619132 Se\n0.250000 0.221259 0.248982 Se\n0.750000 0.778741 0.751018 Se\n0.750000 0.278741 0.748982 Se\n0.250000 0.721259 0.251018 Se\n0.750000 0.259647 0.013652 Se\n0.250000 0.740353 0.986348 Se\n0.250000 0.240353 0.513652 Se\n0.750000 0.759647 0.486348 Se\n",
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{
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{
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{
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"formula_full": "Cs3 Li2 Cl5",
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{
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{
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{
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"structure_string": "K1 Mg6 V1\n1.0\n7.675136 0.000000 0.000000\n0.000000 7.675136 0.000000\n0.000000 0.000000 3.456238\nK Mg V\n1 6 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.788748 0.211252 0.000000 Mg\n0.211252 0.788748 0.000000 Mg\n0.788748 0.788748 0.000000 Mg\n0.211252 0.211252 0.000000 Mg\n0.000000 0.000000 0.500000 V\n",
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}