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{
"id": "mp-1179807",
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"structure_string": "Rb1 Cd6 C12 Cl1 O26\n1.0\n8.558129 -4.780727 0.000000\n8.558129 4.780727 0.000000\n5.887528 0.000000 7.837981\nRb Cd C Cl O\n1 6 12 1 26\ndirect\n0.000000 0.000000 0.000000 Rb\n0.710497 0.354140 0.225031 Cd\n0.354140 0.225031 0.710497 Cd\n0.225031 0.710497 0.354140 Cd\n0.289503 0.645860 0.774969 Cd\n0.645860 0.774969 0.289503 Cd\n0.774969 0.289503 0.645860 Cd\n0.567103 0.044337 0.428725 C\n0.044337 0.428725 0.567103 C\n0.428725 0.567103 0.044337 C\n0.432897 0.955663 0.571275 C\n0.955663 0.571275 0.432897 C\n0.571275 0.432897 0.955663 C\n0.053781 0.424223 0.965539 C\n0.424223 0.965539 0.053781 C\n0.965539 0.053781 0.424223 C\n0.946219 0.575777 0.034461 C\n0.575777 0.034461 0.946219 C\n0.034461 0.946219 0.575777 C\n0.500000 0.500000 0.500000 Cl\n0.557337 0.169952 0.446745 O\n0.169952 0.446745 0.557337 O\n0.446745 0.557337 0.169952 O\n0.442663 0.830048 0.553255 O\n0.830048 0.553255 0.442663 O\n0.553255 0.442663 0.830048 O\n0.674378 0.988700 0.308495 O\n0.988700 0.308495 0.674378 O\n0.308495 0.674378 0.988700 O\n0.325622 0.011300 0.691505 O\n0.011300 0.691505 0.325622 O\n0.691505 0.325622 0.011300 O\n0.984542 0.324843 0.006874 O\n0.324843 0.006874 0.984542 O\n0.006874 0.984542 0.324843 O\n0.015458 0.675157 0.993126 O\n0.675157 0.993126 0.015458 O\n0.993126 0.015458 0.675157 O\n0.209006 0.412441 0.868545 O\n0.412441 0.868545 0.209006 O\n0.868545 0.209006 0.412441 O\n0.790994 0.587559 0.131455 O\n0.587559 0.131455 0.790994 O\n0.131455 0.790994 0.587559 O\n0.742881 0.742881 0.742881 O\n0.257119 0.257119 0.257119 O\n",
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{
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"structure_string": "Zn2 Mo1 W1 O6\n1.0\n5.021493 -2.676218 0.000000\n5.021493 2.676218 0.000000\n3.595196 0.000000 4.410453\nZn Mo W O\n2 1 1 6\ndirect\n0.265972 0.265972 0.265972 Zn\n0.775041 0.775041 0.775041 Zn\n0.498435 0.498435 0.498435 Mo\n0.999475 0.999475 0.999475 W\n0.098366 0.752556 0.377989 O\n0.900952 0.216964 0.620997 O\n0.752556 0.377989 0.098366 O\n0.377989 0.098366 0.752556 O\n0.620997 0.900952 0.216964 O\n0.216964 0.620997 0.900952 O\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Zn2 Mo1 W1 O6",
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"formula_anonymous": "ABC2D6",
"energy": -74.88113369,
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"spacegroup": 146
},
{
"id": "mp-1210899",
"created_at": "2022-09-04T14:47:05.980018Z",
"structure_string": "Na4 Ca2 Si20 H12 O40\n1.0\n6.544796 0.000000 0.000000\n0.000000 13.067370 0.000000\n0.000000 0.000000 13.099960\nNa Ca Si H O\n4 2 20 12 40\ndirect\n0.253995 0.448716 0.000000 Na\n0.746005 0.551284 0.000000 Na\n0.746005 0.948716 0.500000 Na\n0.253995 0.051284 0.500000 Na\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.624922 0.250000 0.250000 Si\n0.375078 0.750000 0.750000 Si\n0.375078 0.750000 0.250000 Si\n0.624922 0.250000 0.750000 Si\n0.248610 0.200658 0.117867 Si\n0.751390 0.799342 0.882133 Si\n0.751390 0.700658 0.382133 Si\n0.248610 0.299342 0.382133 Si\n0.248610 0.299342 0.617867 Si\n0.751390 0.700658 0.617867 Si\n0.751390 0.799342 0.117867 Si\n0.248610 0.200658 0.882133 Si\n0.002405 0.116450 0.295612 Si\n0.997595 0.883550 0.704388 Si\n0.997595 0.616450 0.204388 Si\n0.002405 0.383550 0.204388 Si\n0.002405 0.383550 0.795612 Si\n0.997595 0.616450 0.795612 Si\n0.997595 0.883550 0.295612 Si\n0.002405 0.116450 0.704388 Si\n0.500000 0.000000 0.417250 H\n0.500000 0.000000 0.582750 H\n0.500000 0.500000 0.082750 H\n0.500000 0.500000 0.917250 H\n0.562824 0.423907 0.000000 H\n0.437176 0.576093 0.000000 H\n0.437176 0.923907 0.500000 H\n0.562824 0.076093 0.500000 H\n0.766493 0.111368 0.000000 H\n0.233507 0.888632 0.000000 H\n0.233507 0.611368 0.500000 H\n0.766493 0.388632 0.500000 H\n0.239304 0.160218 0.000000 O\n0.760696 0.839782 0.000000 O\n0.760696 0.660218 0.500000 O\n0.239304 0.339782 0.500000 O\n0.227862 0.659029 0.208008 O\n0.772138 0.340971 0.791992 O\n0.772138 0.159029 0.291992 O\n0.227862 0.840971 0.291992 O\n0.227862 0.840971 0.708008 O\n0.772138 0.159029 0.708008 O\n0.772138 0.340971 0.208008 O\n0.227862 0.659029 0.791992 O\n0.478527 0.202762 0.161343 O\n0.521473 0.797238 0.838657 O\n0.521473 0.702762 0.338657 O\n0.478527 0.297238 0.338657 O\n0.478527 0.297238 0.661343 O\n0.521473 0.702762 0.661343 O\n0.521473 0.797238 0.161343 O\n0.478527 0.202762 0.838657 O\n0.110080 0.116267 0.181706 O\n0.889920 0.883733 0.818294 O\n0.889920 0.616267 0.318294 O\n0.110080 0.383733 0.318294 O\n0.110080 0.383733 0.681706 O\n0.889920 0.616267 0.681706 O\n0.889920 0.883733 0.181706 O\n0.110080 0.116267 0.818294 O\n0.000000 0.000000 0.342147 O\n0.000000 0.000000 0.657853 O\n0.000000 0.500000 0.157853 O\n0.000000 0.500000 0.842147 O\n0.143018 0.315009 0.125784 O\n0.856982 0.684991 0.874216 O\n0.856982 0.815009 0.374216 O\n0.143018 0.184991 0.374216 O\n0.143018 0.184991 0.625784 O\n0.856982 0.815009 0.625784 O\n0.856982 0.684991 0.125784 O\n0.143018 0.315009 0.874216 O\n",
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"formula_full": "Na4 Ca2 Si20 H12 O40",
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{
"id": "mp-775189",
"created_at": "2022-09-04T14:47:05.982095Z",
"structure_string": "Li12 Mn6 Fe6 P12 O48\n1.0\n6.130398 0.000000 0.000000\n0.000000 10.506304 0.000000\n0.000000 0.018900 14.296164\nLi Mn Fe P O\n12 6 6 12 48\ndirect\n0.251257 0.000711 0.000059 Li\n0.748743 0.000711 0.000059 Li\n0.250971 0.499721 0.166604 Li\n0.749029 0.499721 0.166604 Li\n0.250862 0.000163 0.333392 Li\n0.749138 0.000163 0.333392 Li\n0.251077 0.499955 0.500143 Li\n0.748923 0.499955 0.500143 Li\n0.250874 0.000529 0.666723 Li\n0.749126 0.000529 0.666723 Li\n0.251271 0.499817 0.833249 Li\n0.748729 0.499817 0.833249 Li\n0.000000 0.718393 0.008275 Mn\n0.000000 0.218670 0.158223 Mn\n0.500000 0.781246 0.174885 Mn\n0.000000 0.718723 0.341837 Mn\n0.000000 0.218477 0.491601 Mn\n0.000000 0.718309 0.675092 Mn\n0.500000 0.281503 0.324397 Fe\n0.500000 0.781590 0.508948 Fe\n0.500000 0.281500 0.657872 Fe\n0.000000 0.218331 0.825451 Fe\n0.500000 0.781777 0.842020 Fe\n0.500000 0.281354 0.990673 Fe\n0.500000 0.592163 0.028409 P\n0.500000 0.094416 0.137353 P\n0.000000 0.907661 0.195816 P\n0.000000 0.406847 0.305075 P\n0.500000 0.592651 0.363117 P\n0.500000 0.093477 0.470676 P\n0.000000 0.906853 0.528131 P\n0.000000 0.405709 0.638983 P\n0.500000 0.593482 0.695831 P\n0.500000 0.093969 0.804661 P\n0.000000 0.907836 0.861002 P\n0.000000 0.406013 0.971156 P\n0.500000 0.454573 0.068948 O\n0.298664 0.661598 0.073242 O\n0.701336 0.661598 0.073242 O\n0.000000 0.404231 0.078388 O\n0.000000 0.904647 0.087935 O\n0.298768 0.163814 0.092052 O\n0.701232 0.163814 0.092052 O\n0.500000 0.956840 0.096388 O\n0.000000 0.044300 0.237072 O\n0.798608 0.837583 0.239902 O\n0.201392 0.837583 0.239902 O\n0.500000 0.097056 0.244728 O\n0.500000 0.596111 0.255484 O\n0.797180 0.336603 0.261728 O\n0.202820 0.336603 0.261728 O\n0.000000 0.543269 0.262493 O\n0.500000 0.454928 0.403332 O\n0.299102 0.662846 0.407927 O\n0.700898 0.662846 0.407927 O\n0.000000 0.404885 0.412630 O\n0.000000 0.904953 0.420892 O\n0.700953 0.162895 0.425506 O\n0.299047 0.162895 0.425506 O\n0.500000 0.955378 0.430905 O\n0.000000 0.043025 0.570683 O\n0.797108 0.836299 0.571651 O\n0.202892 0.836299 0.571651 O\n0.500000 0.097291 0.578653 O\n0.500000 0.597547 0.588253 O\n0.202979 0.336186 0.595145 O\n0.797021 0.336186 0.595145 O\n0.000000 0.542367 0.597097 O\n0.500000 0.455361 0.735872 O\n0.299127 0.663042 0.741253 O\n0.700873 0.663042 0.741253 O\n0.000000 0.402348 0.746818 O\n0.000000 0.904485 0.753681 O\n0.702686 0.163685 0.760062 O\n0.297314 0.163685 0.760062 O\n0.500000 0.956354 0.764126 O\n0.000000 0.044921 0.902356 O\n0.797428 0.837606 0.905110 O\n0.202572 0.837606 0.905110 O\n0.500000 0.097236 0.912225 O\n0.500000 0.596930 0.920675 O\n0.202598 0.335587 0.927185 O\n0.797402 0.335587 0.927185 O\n0.000000 0.542736 0.929012 O\n",
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{
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{
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{
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"structure_string": "Ce2 Ag2 Pb2\n1.0\n2.770824 -4.799208 0.000000\n2.770824 4.799208 0.000000\n0.000000 0.000000 8.765927\nCe Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.250957 Ce\n0.000000 0.000000 0.749043 Ce\n0.333333 0.666667 0.455265 Ag\n0.666667 0.333333 0.544735 Ag\n0.666667 0.333333 0.954722 Pb\n0.333333 0.666667 0.045278 Pb\n",
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