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{
"id": "mp-1208025",
"created_at": "2022-09-04T14:39:25.858269Z",
"structure_string": "Tl1 Ga1 Se2 O8\n1.0\n-2.564051 -4.441067 0.000000\n-2.564051 4.441067 0.000000\n0.000000 0.000000 -9.088833\nTl Ga Se O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.798798 Se\n0.333333 0.666667 0.201202 Se\n0.934029 0.258843 0.856458 O\n0.324814 0.065971 0.856458 O\n0.675186 0.741157 0.143542 O\n0.741157 0.675186 0.856458 O\n0.258843 0.934029 0.143542 O\n0.065971 0.324814 0.143542 O\n0.666667 0.333333 0.617022 O\n0.333333 0.666667 0.382978 O\n",
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{
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"structure_string": "Ca12 Sn12 S36\n1.0\n9.609362 0.000000 0.000000\n0.000000 9.332160 0.000000\n0.000000 1.919606 19.969160\nCa Sn S\n12 12 36\ndirect\n0.124783 0.969364 0.266939 Ca\n0.624783 0.030636 0.233061 Ca\n0.875217 0.030636 0.733061 Ca\n0.375217 0.969364 0.766939 Ca\n0.880142 0.743878 0.109217 Ca\n0.380142 0.256122 0.390783 Ca\n0.119858 0.256122 0.890783 Ca\n0.619858 0.743878 0.609217 Ca\n0.369087 0.742087 0.109384 Ca\n0.869087 0.257913 0.390616 Ca\n0.630913 0.257913 0.890616 Ca\n0.130913 0.742087 0.609384 Ca\n0.400935 0.212904 0.084131 Sn\n0.900935 0.787096 0.415869 Sn\n0.599065 0.787096 0.915869 Sn\n0.099065 0.212904 0.584131 Sn\n0.850122 0.212635 0.087129 Sn\n0.350122 0.787365 0.412871 Sn\n0.149878 0.787365 0.912871 Sn\n0.649878 0.212635 0.587129 Sn\n0.125571 0.446580 0.204779 Sn\n0.625571 0.553420 0.295221 Sn\n0.874429 0.553420 0.795221 Sn\n0.374429 0.446580 0.704779 Sn\n0.125337 0.705919 0.196773 S\n0.625337 0.294081 0.303227 S\n0.874663 0.294081 0.803227 S\n0.374663 0.705919 0.696773 S\n0.125662 0.273051 0.300145 S\n0.625662 0.726949 0.199855 S\n0.874338 0.726949 0.699855 S\n0.374338 0.273051 0.800145 S\n0.349091 0.010690 0.162071 S\n0.849091 0.989310 0.337929 S\n0.650909 0.989310 0.837929 S\n0.150909 0.010690 0.662071 S\n0.899894 0.009914 0.165670 S\n0.399894 0.990086 0.334330 S\n0.100106 0.990086 0.834330 S\n0.600106 0.009914 0.665670 S\n0.377155 0.222124 0.966602 S\n0.877155 0.777876 0.533398 S\n0.622845 0.777876 0.033398 S\n0.122845 0.222124 0.466602 S\n0.875768 0.209558 0.971268 S\n0.375768 0.790442 0.528732 S\n0.124232 0.790442 0.028732 S\n0.624232 0.209558 0.471268 S\n0.325611 0.437324 0.130902 S\n0.825611 0.562676 0.369098 S\n0.674389 0.562676 0.869098 S\n0.174389 0.437324 0.630902 S\n0.920028 0.438019 0.134745 S\n0.420028 0.561981 0.365255 S\n0.079972 0.561981 0.865255 S\n0.579972 0.438019 0.634745 S\n0.624042 0.281421 0.128456 S\n0.124042 0.718579 0.371544 S\n0.375958 0.718579 0.871544 S\n0.875958 0.281421 0.628456 S\n",
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"elements": [
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"volume": 1790.7564626008498,
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"formula_full": "Ca12 Sn12 S36",
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"spacegroup": 14
},
{
"id": "mp-1233561",
"created_at": "2022-09-04T14:39:31.433231Z",
"structure_string": "Mg1 Co4 P8 O28\n1.0\n6.459432 -0.022233 -2.244580\n-0.029396 8.077429 -0.006513\n0.042829 -0.007777 9.438136\nMg Co P O\n1 4 8 28\ndirect\n0.826932 0.382438 0.960264 Mg\n0.716500 0.774184 0.006454 Co\n0.715240 0.729060 0.499787 Co\n0.271497 0.270897 0.495450 Co\n0.283448 0.226694 0.997401 Co\n0.546231 0.091346 0.794803 P\n0.467952 0.918772 0.202251 P\n0.526399 0.408910 0.295765 P\n0.945935 0.963047 0.795947 P\n0.060191 0.465724 0.708753 P\n0.059186 0.041841 0.203016 P\n0.468731 0.582493 0.703293 P\n0.928472 0.526432 0.295503 P\n0.511668 0.581119 0.357555 O\n0.880015 0.565534 0.126351 O\n0.858718 0.944414 0.159208 O\n0.909323 0.675680 0.387888 O\n0.069820 0.400901 0.866696 O\n0.153298 0.059013 0.855275 O\n0.087008 0.324118 0.609689 O\n0.245223 0.599330 0.726359 O\n0.110626 0.100053 0.365158 O\n0.138604 0.442920 0.351432 O\n0.051802 0.187406 0.092449 O\n0.541520 0.238309 0.898882 O\n0.391753 0.095174 0.636148 O\n0.525860 0.920903 0.857505 O\n0.228611 0.906563 0.192825 O\n0.477028 0.412945 0.633749 O\n0.626388 0.580211 0.865029 O\n0.912341 0.895207 0.640483 O\n0.477917 0.265790 0.384396 O\n0.393835 0.404903 0.126843 O\n0.762582 0.382841 0.300360 O\n0.779011 0.110435 0.786674 O\n0.489053 0.089180 0.137463 O\n0.600082 0.908466 0.367425 O\n0.508802 0.775922 0.106315 O\n0.922474 0.832450 0.907575 O\n0.857947 0.557583 0.647018 O\n0.505309 0.727461 0.611707 O\n",
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"density_atomic": 0.08312889938095469,
"volume": 493.2099463041049,
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"formula_full": "Mg1 Co4 P8 O28",
"formula_reduced": "MgCo4(P2O7)4",
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"spacegroup": 1
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{
"id": "mp-753323",
"created_at": "2022-09-04T14:39:28.675501Z",
"structure_string": "Li8 Mn4 O2 F14\n1.0\n4.247459 4.362273 -0.102910\n0.030713 0.181237 -8.537443\n-4.284027 4.399275 -0.073196\nLi Mn O F\n8 4 2 14\ndirect\n0.748482 0.749158 0.751067 Li\n0.248572 0.249181 0.251009 Li\n0.994090 0.498812 0.013699 Li\n0.494187 0.998820 0.513709 Li\n0.248809 0.893866 0.001823 Li\n0.748712 0.393928 0.501812 Li\n0.254677 0.612190 0.487369 Li\n0.754529 0.112218 0.987351 Li\n0.249608 0.238849 0.750142 Mn\n0.510616 0.498843 0.010698 Mn\n0.749859 0.739074 0.250172 Mn\n0.010645 0.998795 0.510560 Mn\n0.747768 0.528737 0.240023 O\n0.247723 0.028500 0.740079 O\n0.740319 0.987431 0.729587 F\n0.240233 0.487427 0.229637 F\n0.519277 0.753510 0.488027 F\n0.019100 0.253474 0.988101 F\n0.753866 0.973990 0.258895 F\n0.253722 0.473862 0.758857 F\n0.990632 0.747771 0.500914 F\n0.490472 0.247759 0.000813 F\n0.508456 0.755079 0.994718 F\n0.008360 0.255065 0.494645 F\n0.977472 0.748732 0.009500 F\n0.477282 0.248688 0.509548 F\n0.756245 0.513117 0.763653 F\n0.256288 0.013120 0.263596 F\n",
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"formula_full": "Li8 Mn4 O2 F14",
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{
"id": "mp-1207810",
"created_at": "2022-09-04T14:39:19.986006Z",
"structure_string": "Y16 Mg4 Pt4\n1.0\n0.000000 6.934568 6.934568\n6.934568 0.000000 6.934568\n6.934568 6.934568 0.000000\nY Mg Pt\n16 4 4\ndirect\n0.599773 0.599773 0.599773 Y\n0.599773 0.599773 0.200682 Y\n0.599773 0.200682 0.599773 Y\n0.200682 0.599773 0.599773 Y\n0.061573 0.438427 0.438427 Y\n0.438427 0.061573 0.061573 Y\n0.438427 0.061573 0.438427 Y\n0.061573 0.438427 0.061573 Y\n0.438427 0.438427 0.061573 Y\n0.061573 0.061573 0.438427 Y\n0.184391 0.815609 0.815609 Y\n0.815609 0.184391 0.184391 Y\n0.815609 0.184391 0.815609 Y\n0.184391 0.815609 0.184391 Y\n0.815609 0.815609 0.184391 Y\n0.184391 0.184391 0.815609 Y\n0.830154 0.830154 0.830154 Mg\n0.830154 0.830154 0.509537 Mg\n0.830154 0.509537 0.830154 Mg\n0.509537 0.830154 0.830154 Mg\n0.392479 0.392479 0.392479 Pt\n0.392479 0.392479 0.822564 Pt\n0.392479 0.822564 0.392479 Pt\n0.822564 0.392479 0.392479 Pt\n",
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{
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"structure_string": "Li1 La1 Mg14 O16\n1.0\n8.706538 0.000000 0.000000\n0.000000 8.706538 -0.000000\n0.000000 0.000000 4.376751\nLi La Mg O\n1 1 14 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 La\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.240572 0.500000 Mg\n0.000000 0.759428 0.500000 Mg\n0.500000 0.230218 0.500000 Mg\n0.500000 0.769782 0.500000 Mg\n0.240572 0.000000 0.500000 Mg\n0.230218 0.500000 0.500000 Mg\n0.759428 -0.000000 0.500000 Mg\n0.769782 0.500000 0.500000 Mg\n0.235414 0.235414 0.000000 Mg\n0.235414 0.764586 -0.000000 Mg\n0.764586 0.235414 0.000000 Mg\n0.764586 0.764586 -0.000000 Mg\n0.254917 0.000000 -0.000000 O\n0.231464 0.500000 0.000000 O\n0.745083 -0.000000 0.000000 O\n0.768536 0.500000 0.000000 O\n0.251669 0.251669 0.500000 O\n0.251669 0.748331 0.500000 O\n0.748331 0.251669 0.500000 O\n0.748331 0.748331 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.254917 -0.000000 O\n0.000000 0.745083 0.000000 O\n0.500000 0.231464 0.000000 O\n0.500000 0.768536 -0.000000 O\n",
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"formula_full": "Li1 La1 Mg14 O16",
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{
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"structure_string": "In4 Ag2 S6 Cl2\n1.0\n6.677723 -3.938389 0.000000\n6.677723 3.938389 0.000000\n4.354939 0.000000 6.413845\nIn Ag S Cl\n4 2 6 2\ndirect\n0.500000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.085713 0.085713 0.085713 Ag\n0.914287 0.914287 0.914287 Ag\n0.741369 0.289248 0.741369 S\n0.289248 0.741369 0.741369 S\n0.741369 0.741369 0.289248 S\n0.258631 0.710752 0.258631 S\n0.710752 0.258631 0.258631 S\n0.258631 0.258631 0.710752 S\n0.753465 0.753465 0.753465 Cl\n0.246535 0.246535 0.246535 Cl\n",
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"formula_full": "In4 Ag2 S6 Cl2",
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]
}