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{
"id": "mp-1213579",
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"structure_string": "Gd8 Sc12 Si16\n1.0\n6.944741 0.000000 0.000000\n0.000000 7.271629 0.000000\n0.000000 0.000000 13.819851\nGd Sc Si\n8 12 16\ndirect\n0.009594 0.173750 0.096743 Gd\n0.990406 0.826250 0.903257 Gd\n0.490406 0.673750 0.903257 Gd\n0.990406 0.826250 0.596743 Gd\n0.509594 0.326250 0.096743 Gd\n0.009594 0.173750 0.403257 Gd\n0.509594 0.326250 0.403257 Gd\n0.490406 0.673750 0.596743 Gd\n0.161621 0.504967 0.750000 Sc\n0.838379 0.495033 0.250000 Sc\n0.338379 0.004967 0.250000 Sc\n0.661621 0.995033 0.750000 Sc\n0.327735 0.175331 0.623712 Sc\n0.672265 0.824669 0.376288 Sc\n0.172265 0.675331 0.376288 Sc\n0.672265 0.824669 0.123712 Sc\n0.827735 0.324669 0.623712 Sc\n0.327735 0.175331 0.876288 Sc\n0.827735 0.324669 0.876288 Sc\n0.172265 0.675331 0.123712 Sc\n0.033472 0.120125 0.750000 Si\n0.966528 0.879875 0.250000 Si\n0.466528 0.620125 0.250000 Si\n0.533472 0.379875 0.750000 Si\n0.285566 0.877599 0.750000 Si\n0.714434 0.122401 0.250000 Si\n0.214434 0.377599 0.250000 Si\n0.785566 0.622401 0.750000 Si\n0.154751 0.463853 0.538721 Si\n0.845249 0.536147 0.461279 Si\n0.345249 0.963853 0.461279 Si\n0.845249 0.536147 0.038721 Si\n0.654751 0.036147 0.538721 Si\n0.154751 0.463853 0.961279 Si\n0.654751 0.036147 0.961279 Si\n0.345249 0.963853 0.038721 Si\n",
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{
"id": "mp-1036220",
"created_at": "2022-09-04T14:44:11.137806Z",
"structure_string": "Li1 Mg14 Mn1 O16\n1.0\n4.261041 0.000000 0.000000\n0.000000 8.485156 0.000000\n0.000000 0.000000 8.533587\nLi Mg Mn O\n1 14 1 16\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.741987 0.000000 Mg\n0.500000 0.258013 0.000000 Mg\n0.500000 0.747928 0.500000 Mg\n0.500000 0.252072 0.500000 Mg\n0.500000 0.000000 0.748350 Mg\n0.500000 0.500000 0.755465 Mg\n0.500000 0.000000 0.251650 Mg\n0.500000 0.500000 0.244535 Mg\n0.000000 0.744692 0.749552 Mg\n0.000000 0.255308 0.749552 Mg\n0.000000 0.744692 0.250448 Mg\n0.000000 0.255308 0.250448 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.751232 O\n0.000000 0.500000 0.745359 O\n0.000000 0.000000 0.248768 O\n0.000000 0.500000 0.254641 O\n0.500000 0.751415 0.751432 O\n0.500000 0.248585 0.751432 O\n0.500000 0.751415 0.248568 O\n0.500000 0.248585 0.248568 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 0.770239 0.000000 O\n0.000000 0.229761 0.000000 O\n0.000000 0.752882 0.500000 O\n0.000000 0.247118 0.500000 O\n",
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"volume": 308.53693771970563,
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"formula_full": "Li1 Mg14 Mn1 O16",
"formula_reduced": "LiMg14MnO16",
"formula_anonymous": "ABC14D16",
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"spacegroup": 47
},
{
"id": "mp-1177508",
"created_at": "2022-09-04T14:44:11.139808Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n4.886621 8.470906 0.000000\n-4.886621 8.470906 0.000000\n0.000000 0.157284 14.268698\nLi V P O\n6 6 16 58\ndirect\n0.225595 0.081416 0.940253 Li\n0.081416 0.225595 0.440253 Li\n0.687706 0.226273 0.941003 Li\n0.226273 0.687706 0.441003 Li\n0.907771 0.775663 0.558928 Li\n0.775663 0.907771 0.058928 Li\n0.563773 0.005694 0.257775 V\n0.996918 0.433205 0.244897 V\n0.565824 0.437031 0.746450 V\n0.437031 0.565824 0.246450 V\n0.005694 0.563773 0.757775 V\n0.433205 0.996918 0.744897 V\n0.234880 0.086715 0.157049 P\n0.086715 0.234880 0.657049 P\n0.686145 0.088206 0.661181 P\n0.326125 0.338535 0.370141 P\n0.338535 0.326125 0.870141 P\n0.683900 0.228259 0.158667 P\n0.771271 0.312212 0.340468 P\n0.088206 0.686145 0.161181 P\n0.912437 0.312894 0.837741 P\n0.228259 0.683900 0.658667 P\n0.312212 0.771271 0.840468 P\n0.666561 0.672682 0.131145 P\n0.672682 0.666561 0.631145 P\n0.312894 0.912437 0.337741 P\n0.913006 0.765898 0.341776 P\n0.765898 0.913006 0.841776 P\n0.224984 0.006870 0.420286 O\n0.255129 0.088287 0.669570 O\n0.986972 0.216707 0.741668 O\n0.006870 0.224984 0.920286 O\n0.384953 0.096142 0.181121 O\n0.088287 0.255129 0.169570 O\n0.333059 0.180810 0.828143 O\n0.524192 0.094671 0.677469 O\n0.756821 0.995534 0.931477 O\n0.662658 0.080865 0.166624 O\n0.180810 0.333059 0.328143 O\n0.478680 0.186727 0.326460 O\n0.096142 0.384953 0.681121 O\n0.325274 0.334224 0.474141 O\n0.334224 0.325274 0.974141 O\n0.094671 0.524192 0.177469 O\n0.487487 0.328648 0.829127 O\n0.186727 0.478680 0.826460 O\n0.657107 0.258440 0.666769 O\n0.794782 0.211933 0.244522 O\n0.749752 0.236659 0.066244 O\n0.765528 0.230927 0.426153 O\n0.520967 0.380453 0.179290 O\n0.328648 0.487487 0.329127 O\n0.080865 0.662658 0.666624 O\n0.742408 0.338838 0.838060 O\n0.380453 0.520967 0.679290 O\n0.014338 0.242999 0.565578 O\n0.995534 0.756821 0.431477 O\n0.617637 0.474442 0.319509 O\n0.258440 0.657107 0.166769 O\n0.008417 0.787042 0.256175 O\n0.915945 0.339662 0.335076 O\n0.667903 0.518966 0.675364 O\n0.474442 0.617637 0.819509 O\n0.230927 0.765528 0.926153 O\n0.236659 0.749752 0.566244 O\n0.211933 0.794782 0.744522 O\n0.338838 0.742408 0.338060 O\n0.815028 0.520888 0.175900 O\n0.903389 0.476584 0.823321 O\n0.518966 0.667903 0.175364 O\n0.668305 0.670905 0.527374 O\n0.670905 0.668305 0.027374 O\n0.904648 0.615236 0.322548 O\n0.520888 0.815028 0.675900 O\n0.820283 0.667410 0.671841 O\n0.339662 0.915945 0.835076 O\n0.216707 0.986972 0.241668 O\n0.242999 0.014338 0.065578 O\n0.476584 0.903389 0.323321 O\n0.667410 0.820283 0.171841 O\n0.911610 0.744391 0.834512 O\n0.615236 0.904648 0.822548 O\n0.995141 0.772509 0.078195 O\n0.744391 0.911610 0.334512 O\n0.772509 0.995141 0.578195 O\n0.787042 0.008417 0.756175 O\n",
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"elements": [
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"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.4892909238365895,
"density_atomic": 0.07280238214353321,
"volume": 1181.2800277667711,
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"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
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{
"id": "mp-560724",
"created_at": "2022-09-04T14:44:11.139849Z",
"structure_string": "Na16 U4 C12 O44\n1.0\n9.426852 0.000000 0.000000\n-4.710101 8.177073 0.000000\n-0.098012 -0.117171 13.214072\nNa U C O\n16 4 12 44\ndirect\n0.870280 0.562250 0.133083 Na\n0.565289 0.870488 0.380457 Na\n0.997745 0.000469 0.749901 Na\n0.435887 0.306914 0.119967 Na\n0.309182 0.873093 0.877899 Na\n0.691334 0.563664 0.625063 Na\n0.000000 0.000000 0.000000 Na\n0.129720 0.437750 0.866917 Na\n0.308666 0.436336 0.374937 Na\n0.002255 0.999531 0.250099 Na\n0.564113 0.693086 0.880033 Na\n0.690818 0.126907 0.122101 Na\n0.871129 0.307780 0.631444 Na\n0.434711 0.129512 0.619543 Na\n0.000000 0.000000 0.500000 Na\n0.128871 0.692220 0.368556 Na\n0.332768 0.668090 0.630071 U\n0.334044 0.665694 0.131001 U\n0.665956 0.334306 0.868999 U\n0.667232 0.331910 0.369929 U\n0.669117 0.924537 0.618412 C\n0.075572 0.747302 0.629615 C\n0.252896 0.922218 0.131640 C\n0.329040 0.254048 0.876237 C\n0.330883 0.075463 0.381588 C\n0.077252 0.329578 0.132184 C\n0.924428 0.252698 0.370385 C\n0.747851 0.669089 0.363309 C\n0.922748 0.670422 0.867816 C\n0.252149 0.330911 0.636691 C\n0.747104 0.077782 0.868360 C\n0.670960 0.745952 0.123763 C\n0.451003 0.405407 0.880904 O\n0.035619 0.215210 0.378237 O\n0.326892 0.660324 0.990077 O\n0.853761 0.231745 0.849418 O\n0.343073 0.672317 0.272050 O\n0.318357 0.655490 0.489463 O\n0.180457 0.216308 0.883758 O\n0.548997 0.594593 0.119096 O\n0.681643 0.344510 0.510537 O\n0.347971 0.680900 0.771053 O\n0.546753 0.953434 0.613403 O\n0.785233 0.966816 0.872910 O\n0.767260 0.623607 0.851989 O\n0.598750 0.548624 0.378767 O\n0.182105 0.964131 0.385369 O\n0.401250 0.451376 0.621233 O\n0.768057 0.143204 0.360900 O\n0.377495 0.231488 0.373028 O\n0.048490 0.451423 0.123260 O\n0.146258 0.379526 0.656881 O\n0.964381 0.784790 0.621763 O\n0.623947 0.854773 0.135683 O\n0.402030 0.949838 0.116786 O\n0.212977 0.181739 0.631549 O\n0.966241 0.180880 0.125314 O\n0.673108 0.339676 0.009923 O\n0.652029 0.319100 0.228947 O\n0.819543 0.783692 0.116242 O\n0.231943 0.856796 0.639100 O\n0.597970 0.050162 0.883214 O\n0.146239 0.768255 0.150582 O\n0.622505 0.768512 0.626972 O\n0.033759 0.819120 0.874686 O\n0.787023 0.818261 0.368451 O\n0.953749 0.404039 0.371862 O\n0.853742 0.620474 0.343119 O\n0.656927 0.327683 0.727950 O\n0.046251 0.595961 0.628138 O\n0.376053 0.145227 0.864317 O\n0.951510 0.548577 0.876740 O\n0.232740 0.376393 0.148011 O\n0.817895 0.035869 0.614631 O\n0.453247 0.046566 0.386597 O\n0.214767 0.033184 0.127090 O\n",
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{
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"structure_string": "Ba4 Y2 Cu7 O15\n1.0\n1.954982 -25.537055 0.000000\n1.954982 25.537055 0.000000\n0.000000 0.000000 3.873672\nBa Y Cu O\n4 2 7 15\ndirect\n0.687980 0.312020 0.500000 Ba\n0.312020 0.687980 0.500000 Ba\n0.541874 0.458126 0.500000 Ba\n0.458126 0.541874 0.500000 Ba\n0.615038 0.384962 0.500000 Y\n0.384962 0.615038 0.500000 Y\n0.081422 0.918578 0.000000 Cu\n0.918578 0.081422 0.000000 Cu\n0.148561 0.851439 0.000000 Cu\n0.851439 0.148561 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.229855 0.770145 0.000000 Cu\n0.770145 0.229855 0.000000 Cu\n0.587132 0.412868 0.000000 O\n0.412868 0.587132 0.000000 O\n0.733073 0.266927 0.000000 O\n0.266927 0.733073 0.000000 O\n0.087258 0.912742 0.500000 O\n0.912742 0.087258 0.500000 O\n0.036764 0.963236 0.000000 O\n0.963236 0.036764 0.000000 O\n0.193659 0.806341 0.000000 O\n0.806341 0.193659 0.000000 O\n0.143552 0.856448 0.500000 O\n0.856448 0.143552 0.500000 O\n0.643409 0.356591 0.000000 O\n0.356591 0.643409 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Rb4 Os4 N4 O12\n1.0\n5.839521 0.000000 0.000000\n0.000000 5.969030 0.000000\n0.000000 0.000000 14.221574\nRb Os N O\n4 4 4 12\ndirect\n0.971963 0.251441 0.624639 Rb\n0.471963 0.248559 0.375361 Rb\n0.028037 0.751441 0.875361 Rb\n0.528037 0.748559 0.124639 Rb\n0.536452 0.251466 0.870844 Os\n0.036452 0.248534 0.129156 Os\n0.463548 0.751466 0.629156 Os\n0.963548 0.748534 0.370844 Os\n0.487388 0.019044 0.937361 N\n0.987388 0.480956 0.062639 N\n0.512612 0.519044 0.562639 N\n0.012612 0.980956 0.437361 N\n0.345359 0.245910 0.774843 O\n0.845359 0.254090 0.225157 O\n0.654641 0.745910 0.725157 O\n0.154641 0.754090 0.274843 O\n0.825206 0.245231 0.832733 O\n0.325206 0.254769 0.167267 O\n0.174794 0.745231 0.667267 O\n0.674794 0.754769 0.332733 O\n0.516156 0.988478 0.558655 O\n0.016156 0.511522 0.441345 O\n0.483844 0.488478 0.941345 O\n0.983844 0.011522 0.058655 O\n",
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{
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"structure_string": "Er2 Ag1 Pt1\n1.0\n0.000000 3.519784 3.519784\n3.519784 0.000000 3.519784\n3.519784 3.519784 0.000000\nEr Ag Pt\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pt\n",
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