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{
"id": "mp-772256",
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"structure_string": "Li8 V8 P8 O40\n1.0\n6.341841 0.000000 0.000000\n0.000000 10.584016 0.000000\n0.000000 0.000000 12.742515\nLi V P O\n8 8 8 40\ndirect\n0.958907 0.034858 0.101753 Li\n0.354997 0.763789 0.171409 Li\n0.854997 0.263789 0.328591 Li\n0.458907 0.534858 0.398247 Li\n0.541093 0.034858 0.601753 Li\n0.145003 0.763789 0.671409 Li\n0.645003 0.263789 0.828591 Li\n0.041093 0.534858 0.898247 Li\n0.988299 0.506619 0.128816 V\n0.272108 0.262684 0.245002 V\n0.772108 0.762684 0.254998 V\n0.488299 0.006619 0.371184 V\n0.511701 0.506619 0.628816 V\n0.227892 0.262684 0.745002 V\n0.727892 0.762684 0.754998 V\n0.011701 0.006619 0.871184 V\n0.823655 0.772580 0.004723 P\n0.493670 0.522119 0.185529 P\n0.993670 0.022119 0.314471 P\n0.323655 0.272580 0.495277 P\n0.676345 0.772580 0.504723 P\n0.006330 0.522119 0.685529 P\n0.506330 0.022119 0.814471 P\n0.176345 0.272580 0.995277 P\n0.032564 0.393167 0.000594 O\n0.964710 0.652084 0.011808 O\n0.319077 0.267249 0.093104 O\n0.678300 0.783452 0.103116 O\n0.680490 0.493152 0.113195 O\n0.298051 0.558618 0.120572 O\n0.021810 0.386337 0.219896 O\n0.951703 0.645592 0.226719 O\n0.954981 0.912091 0.235338 O\n0.030707 0.136108 0.236448 O\n0.530707 0.636108 0.263552 O\n0.454981 0.412091 0.264662 O\n0.451703 0.145592 0.273281 O\n0.521810 0.886337 0.280104 O\n0.798051 0.058618 0.379428 O\n0.180490 0.993152 0.386805 O\n0.178300 0.283452 0.396884 O\n0.819077 0.767249 0.406896 O\n0.464710 0.152084 0.488192 O\n0.532564 0.893167 0.499406 O\n0.467436 0.393167 0.500594 O\n0.535290 0.652084 0.511808 O\n0.180923 0.267249 0.593104 O\n0.821700 0.783452 0.603116 O\n0.819510 0.493152 0.613195 O\n0.201949 0.558618 0.620572 O\n0.478190 0.386337 0.719896 O\n0.548297 0.645592 0.726719 O\n0.545019 0.912091 0.735338 O\n0.469293 0.136108 0.736448 O\n0.969293 0.636108 0.763552 O\n0.045019 0.412091 0.764662 O\n0.048297 0.145592 0.773281 O\n0.978190 0.886337 0.780104 O\n0.701949 0.058618 0.879428 O\n0.319510 0.993152 0.886805 O\n0.321700 0.283452 0.896884 O\n0.680923 0.767249 0.906896 O\n0.035290 0.152084 0.988192 O\n0.967436 0.893167 0.999406 O\n",
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"formula_full": "Li8 V8 P8 O40",
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"spacegroup": 33
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{
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"structure_string": "K8 U4 I20\n1.0\n9.308618 0.000000 0.000000\n0.000000 9.872965 0.000000\n0.000000 0.000000 14.724481\nK U I\n8 4 20\ndirect\n0.563367 0.005218 0.328350 K\n0.936633 0.005218 0.828350 K\n0.436633 0.994782 0.671650 K\n0.063367 0.994782 0.171650 K\n0.063367 0.505218 0.171650 K\n0.436633 0.505218 0.671650 K\n0.563367 0.494782 0.328350 K\n0.936633 0.494782 0.828350 K\n0.574510 0.750000 0.003628 U\n0.074510 0.250000 0.496372 U\n0.425490 0.250000 0.996372 U\n0.925490 0.750000 0.503628 U\n0.167049 0.955783 0.426017 I\n0.158812 0.250000 0.705461 I\n0.841188 0.750000 0.294539 I\n0.832951 0.044217 0.573983 I\n0.667049 0.455783 0.073983 I\n0.572590 0.750000 0.505655 I\n0.667049 0.044217 0.073983 I\n0.927410 0.750000 0.005655 I\n0.879614 0.250000 0.317737 I\n0.167049 0.544217 0.426017 I\n0.379614 0.750000 0.182263 I\n0.341188 0.250000 0.205461 I\n0.332951 0.955783 0.926017 I\n0.427410 0.250000 0.494345 I\n0.120386 0.750000 0.682263 I\n0.332951 0.544217 0.926017 I\n0.620386 0.250000 0.817737 I\n0.658812 0.750000 0.794539 I\n0.832951 0.455783 0.573983 I\n0.072590 0.250000 0.994345 I\n",
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"formula_full": "K8 U4 I20",
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{
"id": "mp-977433",
"created_at": "2022-09-04T14:39:47.629023Z",
"structure_string": "Er1 Mg1 Zn2\n1.0\n0.000000 3.396180 3.396180\n3.396180 0.000000 3.396180\n3.396180 3.396180 0.000000\nEr Mg Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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"volume": 78.34334237347409,
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"formula_full": "Er1 Mg1 Zn2",
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"spacegroup": 225
},
{
"id": "mp-1184241",
"created_at": "2022-09-04T14:39:47.634175Z",
"structure_string": "Er1 Mg5\n1.0\n1.607809 -8.533349 0.000000\n1.607809 8.533349 0.000000\n0.000000 0.000000 5.369776\nEr Mg\n1 5\ndirect\n0.220671 0.779329 0.000000 Er\n0.001423 0.998577 0.500000 Mg\n0.663642 0.336358 0.500000 Mg\n0.335985 0.664015 0.500000 Mg\n0.552480 0.447520 0.000000 Mg\n0.892466 0.107534 0.000000 Mg\n",
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{
"id": "mp-756092",
"created_at": "2022-09-04T14:39:47.639743Z",
"structure_string": "Li4 Cr2 P4 H3 O16\n1.0\n4.950048 0.000000 0.000000\n1.842860 7.469426 0.000000\n0.269978 0.036554 8.363901\nLi Cr P H O\n4 2 4 3 16\ndirect\n0.115138 0.321228 0.355277 Li\n0.397112 0.152132 0.877344 Li\n0.584819 0.843524 0.117223 Li\n0.886347 0.680542 0.647694 Li\n0.000382 0.502509 0.997647 Cr\n0.498066 0.998392 0.500621 Cr\n0.104200 0.743605 0.323974 P\n0.375070 0.763318 0.847209 P\n0.624607 0.242899 0.154461 P\n0.890661 0.255862 0.675944 P\n0.955801 0.020926 0.014324 H\n0.451962 0.529476 0.398829 H\n0.546922 0.479262 0.615288 H\n0.117406 0.174285 0.551811 O\n0.976353 0.690529 0.171077 O\n0.156009 0.647612 0.827449 O\n0.249104 0.552238 0.411383 O\n0.383785 0.341812 0.050170 O\n0.516376 0.193922 0.317564 O\n0.253014 0.938508 0.939857 O\n0.326255 0.845239 0.294743 O\n0.670457 0.153206 0.706239 O\n0.754429 0.059201 0.062192 O\n0.482891 0.801556 0.678848 O\n0.620899 0.653535 0.946392 O\n0.746205 0.445818 0.586232 O\n0.849046 0.350917 0.171985 O\n0.015814 0.310082 0.829429 O\n0.879753 0.825962 0.448696 O\n",
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"formula_full": "Li4 Cr2 P4 H3 O16",
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{
"id": "mp-1205845",
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"structure_string": "Ba2 Gd1 U1 O6\n1.0\n0.000000 4.434063 4.434063\n4.434063 0.000000 4.434063\n4.434063 4.434063 0.000000\nBa Gd U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 U\n0.757146 0.242854 0.242854 O\n0.242854 0.757146 0.757146 O\n0.242854 0.757146 0.242854 O\n0.757146 0.242854 0.757146 O\n0.242854 0.242854 0.757146 O\n0.757146 0.757146 0.242854 O\n",
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"formula_full": "Ba2 Gd1 U1 O6",
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{
"id": "mp-1213648",
"created_at": "2022-09-04T14:39:47.658450Z",
"structure_string": "Cs2 Tm2 Mn2 Se6\n1.0\n2.108374 -8.107918 0.000000\n2.108374 8.107918 0.000000\n0.000000 0.000000 10.951679\nCs Tm Mn Se\n2 2 2 6\ndirect\n0.256958 0.743042 0.250000 Cs\n0.743042 0.256958 0.750000 Cs\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.536790 0.463210 0.250000 Mn\n0.463210 0.536790 0.750000 Mn\n0.614428 0.385572 0.054767 Se\n0.385572 0.614428 0.945233 Se\n0.385572 0.614428 0.554767 Se\n0.614428 0.385572 0.445233 Se\n0.945623 0.054377 0.250000 Se\n0.054377 0.945623 0.750000 Se\n",
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],
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"formula_full": "Cs2 Tm2 Mn2 Se6",
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{
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"structure_string": "Mg1 H12 I8 O6\n1.0\n7.731195 0.000000 0.000000\n2.048714 8.894087 0.000000\n3.686090 3.529768 8.230169\nMg H I O\n1 12 8 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.902720 0.691744 0.230520 H\n0.097280 0.308256 0.769480 H\n0.789125 0.812729 0.315770 H\n0.210875 0.187271 0.684230 H\n0.142695 0.766258 0.868814 H\n0.857305 0.233742 0.131186 H\n0.288619 0.766836 0.947466 H\n0.711381 0.233164 0.052534 H\n0.283778 0.100948 0.039754 H\n0.716222 0.899052 0.960246 H\n0.203531 0.949084 0.203360 H\n0.796469 0.050916 0.796640 H\n0.033930 0.356867 0.260401 I\n0.966070 0.643133 0.739599 I\n0.739290 0.364261 0.568675 I\n0.260710 0.635739 0.431325 I\n0.465012 0.378060 0.871316 I\n0.534988 0.621940 0.128684 I\n0.636957 0.894052 0.570183 I\n0.363043 0.105948 0.429817 I\n0.870241 0.807404 0.211256 O\n0.129759 0.192596 0.788744 O\n0.175517 0.823902 0.919359 O\n0.824483 0.176098 0.080641 O\n0.191729 0.017117 0.095955 O\n0.808271 0.982883 0.904045 O\n",
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"formula_full": "Mg1 H12 I8 O6",
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{
"id": "mp-559470",
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"structure_string": "Ag2 Pb2 Br2 O2\n1.0\n4.027180 0.000000 0.000000\n0.000000 4.027180 0.000000\n0.000000 0.000000 14.241874\nAg Pb Br O\n2 2 2 2\ndirect\n0.500000 0.000000 0.407818 Ag\n0.000000 0.500000 0.592182 Ag\n0.000000 0.500000 0.084665 Pb\n0.500000 0.000000 0.915335 Pb\n0.000000 0.500000 0.385807 Br\n0.500000 0.000000 0.614193 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-625830",
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"structure_string": "Zn4 H8 O8\n1.0\n4.871765 0.000000 0.000000\n0.000000 5.063481 0.000000\n0.000000 0.000000 8.752255\nZn H O\n4 8 8\ndirect\n0.067570 0.642226 0.123390 Zn\n0.932430 0.142226 0.376610 Zn\n0.567570 0.857774 0.876610 Zn\n0.432430 0.357774 0.623390 Zn\n0.257409 0.175215 0.158357 H\n0.742591 0.675215 0.341643 H\n0.757409 0.324785 0.841643 H\n0.242591 0.824785 0.658357 H\n0.030919 0.641940 0.847283 H\n0.969081 0.141940 0.652717 H\n0.530919 0.858060 0.152717 H\n0.469081 0.358060 0.347283 H\n0.188286 0.316113 0.228961 O\n0.811714 0.816113 0.271039 O\n0.688286 0.183887 0.771039 O\n0.311714 0.683887 0.728961 O\n0.879131 0.611773 0.922884 O\n0.120869 0.111773 0.577116 O\n0.379131 0.888227 0.077116 O\n0.620869 0.388227 0.422884 O\n",
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