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{
"id": "mp-753060",
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"structure_string": "Li2 V4 O4 F6\n1.0\n2.653479 5.214806 0.000000\n-2.653479 5.214806 0.000000\n0.000000 2.764857 6.653622\nLi V O F\n2 4 4 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.377292 0.390870 0.205639 V\n0.390870 0.377292 0.705639 V\n0.609130 0.622708 0.294361 V\n0.622708 0.609130 0.794361 V\n0.276825 0.563808 0.439279 O\n0.563808 0.276825 0.939279 O\n0.436192 0.723175 0.060721 O\n0.723175 0.436192 0.560721 O\n0.956389 0.651844 0.160917 F\n0.348156 0.043611 0.339083 F\n0.651844 0.956389 0.660917 F\n0.043611 0.348156 0.839083 F\n0.800803 0.199197 0.250000 F\n0.199197 0.800803 0.750000 F\n",
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{
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"formula_full": "Eu2 O3",
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{
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"structure_string": "Li4 Ti4 P16 O48\n1.0\n13.096528 0.000000 0.000000\n0.000000 7.303053 0.000000\n0.000000 6.694965 9.443926\nLi Ti P O\n4 4 16 48\ndirect\n0.218458 0.878533 0.040642 Li\n0.718458 0.121467 0.459358 Li\n0.281542 0.878533 0.540642 Li\n0.781542 0.121467 0.959358 Li\n0.298959 0.517965 0.435722 Ti\n0.798959 0.482035 0.064278 Ti\n0.201041 0.517965 0.935722 Ti\n0.701041 0.482035 0.564278 Ti\n0.611196 0.829504 0.245897 P\n0.134229 0.413912 0.694791 P\n0.916296 0.457497 0.708518 P\n0.893729 0.070990 0.229640 P\n0.393729 0.929010 0.270360 P\n0.416296 0.542503 0.791482 P\n0.634229 0.586088 0.805209 P\n0.111196 0.170496 0.254103 P\n0.888804 0.829504 0.745897 P\n0.365771 0.413912 0.194791 P\n0.583704 0.457497 0.208518 P\n0.606271 0.070990 0.729640 P\n0.106271 0.929010 0.770360 P\n0.083704 0.542503 0.291482 P\n0.865771 0.586088 0.305209 P\n0.388804 0.170496 0.754103 P\n0.866872 0.825932 0.279731 O\n0.902516 0.218530 0.824980 O\n0.430228 0.397501 0.729310 O\n0.319006 0.840374 0.213490 O\n0.682723 0.958246 0.125318 O\n0.140775 0.381834 0.834898 O\n0.642172 0.759352 0.392607 O\n0.891282 0.240861 0.068777 O\n0.505155 0.969714 0.204523 O\n0.024400 0.512919 0.624973 O\n0.215733 0.552784 0.585930 O\n0.337709 0.430505 0.910359 O\n0.837709 0.569495 0.589641 O\n0.005155 0.030286 0.295477 O\n0.715733 0.447216 0.914070 O\n0.391282 0.759139 0.431223 O\n0.524400 0.487081 0.875027 O\n0.142172 0.240648 0.107393 O\n0.640775 0.618166 0.665102 O\n0.182723 0.041754 0.374682 O\n0.819006 0.159626 0.286510 O\n0.930228 0.602499 0.770690 O\n0.366872 0.174068 0.220269 O\n0.402516 0.781470 0.675020 O\n0.597484 0.218530 0.324980 O\n0.633128 0.825932 0.779731 O\n0.069772 0.397501 0.229310 O\n0.180994 0.840374 0.713490 O\n0.817277 0.958246 0.625318 O\n0.359225 0.381834 0.334898 O\n0.857828 0.759352 0.892607 O\n0.475600 0.512919 0.124973 O\n0.608718 0.240861 0.568777 O\n0.284267 0.552784 0.085930 O\n0.994845 0.969714 0.704523 O\n0.162291 0.430505 0.410359 O\n0.662291 0.569495 0.089641 O\n0.784267 0.447216 0.414070 O\n0.975600 0.487081 0.375027 O\n0.494845 0.030286 0.795477 O\n0.108718 0.759139 0.931223 O\n0.357828 0.240648 0.607393 O\n0.859225 0.618166 0.165102 O\n0.317277 0.041754 0.874682 O\n0.680994 0.159626 0.786510 O\n0.569772 0.602499 0.270690 O\n0.097484 0.781470 0.175020 O\n0.133128 0.174068 0.720269 O\n",
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],
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"volume": 903.2608845130294,
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"formula_full": "Li4 Ti4 P16 O48",
"formula_reduced": "LiTi(PO3)4",
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"spacegroup": 14
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{
"id": "mp-1194247",
"created_at": "2022-09-04T14:44:51.490453Z",
"structure_string": "Eu11 Zn6 As12\n1.0\n2.154831 15.059994 0.000000\n-2.154831 15.059994 0.000000\n0.000000 3.943100 10.984747\nEu Zn As\n11 6 12\ndirect\n0.016711 0.016711 0.322425 Eu\n0.983289 0.983289 0.677575 Eu\n0.112693 0.112693 0.487793 Eu\n0.887307 0.887307 0.512207 Eu\n0.126254 0.126254 0.979246 Eu\n0.873746 0.873746 0.020754 Eu\n0.198855 0.198855 0.652257 Eu\n0.801145 0.801145 0.347743 Eu\n0.282107 0.282107 0.863741 Eu\n0.717893 0.717893 0.136259 Eu\n0.000000 0.000000 0.000000 Eu\n0.218987 0.218987 0.330625 Zn\n0.781013 0.781013 0.669375 Zn\n0.400897 0.400897 0.751442 Zn\n0.599103 0.599103 0.248558 Zn\n0.547520 0.547520 0.764201 Zn\n0.452480 0.452480 0.235799 Zn\n0.086365 0.086365 0.762251 As\n0.913635 0.913635 0.237749 As\n0.144841 0.144841 0.216790 As\n0.855159 0.855159 0.783210 As\n0.306888 0.306888 0.546443 As\n0.693112 0.693112 0.453557 As\n0.455064 0.455064 0.879110 As\n0.544936 0.544936 0.120890 As\n0.457567 0.457567 0.509805 As\n0.542433 0.542433 0.490195 As\n0.707601 0.707601 0.854220 As\n0.292399 0.292399 0.145780 As\n",
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"formula_full": "Eu11 Zn6 As12",
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},
{
"id": "mp-780491",
"created_at": "2022-09-04T14:44:48.737784Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.886722 0.000000 0.000000\n0.000000 6.198332 0.000000\n0.000000 3.070298 9.625947\nFe O F\n8 6 10\ndirect\n0.435750 0.803493 0.638638 Fe\n0.508371 0.561077 0.130142 Fe\n0.562399 0.072634 0.097899 Fe\n0.503213 0.328090 0.603559 Fe\n0.062399 0.927366 0.902101 Fe\n0.003213 0.671910 0.396441 Fe\n0.008371 0.438923 0.869858 Fe\n0.935750 0.196507 0.361362 Fe\n0.799674 0.389395 0.470567 O\n0.819898 0.133017 0.952831 O\n0.687105 0.249751 0.217774 O\n0.319898 0.866983 0.047169 O\n0.299674 0.610605 0.529433 O\n0.187105 0.750249 0.782226 O\n0.795428 0.884226 0.482755 F\n0.814886 0.650752 0.978272 F\n0.668385 0.020828 0.702073 F\n0.681384 0.519325 0.715462 F\n0.723505 0.773688 0.237658 F\n0.314886 0.349248 0.021728 F\n0.295428 0.115774 0.517245 F\n0.181384 0.480675 0.284538 F\n0.223505 0.226312 0.762342 F\n0.168385 0.979172 0.297927 F\n",
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"volume": 291.56536565215526,
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"formula_full": "Fe8 O6 F10",
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{
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"structure_string": "K1 Mg1 Ni2 H3 Se2 O10\n1.0\n4.426595 3.081425 -2.187501\n4.427355 -3.154699 -2.369046\n0.552930 -0.172418 -8.411058\nK Mg Ni H Se O\n1 1 2 3 2 10\ndirect\n0.581381 0.411594 0.498075 K\n0.974103 0.489991 0.700402 Mg\n0.001589 0.480781 0.029885 Ni\n0.501245 0.031044 0.998043 Ni\n0.673904 0.825164 0.792981 H\n0.309692 0.294642 0.263066 H\n0.448475 0.463253 0.060366 H\n0.917680 0.890564 0.266648 Se\n0.135382 0.979995 0.695862 Se\n0.768483 0.749616 0.487865 O\n0.213672 0.255089 0.516194 O\n0.247334 0.794392 0.214695 O\n0.796373 0.221089 0.221600 O\n0.810197 0.175465 0.785537 O\n0.087499 0.834549 0.584269 O\n0.678834 0.674526 0.909686 O\n0.339484 0.337817 0.127733 O\n0.814196 0.794323 0.149571 O\n0.226814 0.286725 0.861854 O\n",
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"formula_full": "K1 Mg1 Ni2 H3 Se2 O10",
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{
"id": "mp-1175657",
"created_at": "2022-09-04T14:44:52.085543Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.018499 0.000000 0.000000\n1.482836 6.256590 0.000000\n0.823126 0.117643 15.465889\nLi Mn Co O\n9 2 5 16\ndirect\n0.687827 0.126927 0.562274 Li\n0.938593 0.621629 0.311625 Li\n0.181719 0.128343 0.059937 Li\n0.312173 0.873073 0.437726 Li\n0.551853 0.384643 0.186973 Li\n0.818281 0.871657 0.940063 Li\n0.448147 0.615357 0.813027 Li\n0.061407 0.378371 0.688375 Li\n0.500000 0.500000 0.000000 Li\n0.745278 0.001477 0.751581 Mn\n0.254722 0.998523 0.248419 Mn\n0.000000 0.500000 0.500000 Co\n0.625049 0.250002 0.376405 Co\n0.872452 0.739935 0.118645 Co\n0.127548 0.260065 0.881355 Co\n0.374951 0.749998 0.623595 Co\n0.188393 0.048216 0.657474 O\n0.444326 0.546430 0.410318 O\n0.705644 0.038509 0.155799 O\n0.866646 0.793970 0.533754 O\n0.119494 0.297139 0.284652 O\n0.318337 0.806538 0.039141 O\n0.979722 0.533682 0.901295 O\n0.575765 0.298141 0.785351 O\n0.133354 0.206030 0.466246 O\n0.424235 0.701859 0.214649 O\n0.681663 0.193462 0.960859 O\n0.811607 0.951784 0.342526 O\n0.020278 0.466318 0.098705 O\n0.294356 0.961491 0.844201 O\n0.880506 0.702861 0.715348 O\n0.555674 0.453570 0.589682 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -207.47315673,
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{
"id": "mp-1785896",
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"structure_string": "Zn1 Cr2 F12\n1.0\n5.385165 -0.023329 -0.009293\n5.904725 8.979889 -0.010821\n2.957728 1.588211 4.218834\nZn Cr F\n1 2 12\ndirect\n0.000000 0.500000 0.000000 Zn\n0.501047 0.239892 0.511966 Cr\n0.498953 0.760108 0.488034 Cr\n0.160791 0.190620 0.728219 F\n0.158465 0.687265 0.732773 F\n0.372297 0.366750 0.159364 F\n0.377080 0.863104 0.163962 F\n0.732420 0.083023 0.371513 F\n0.732384 0.579035 0.374472 F\n0.267616 0.420965 0.625528 F\n0.267580 0.916977 0.628487 F\n0.622920 0.136896 0.836038 F\n0.627703 0.633250 0.840636 F\n0.841535 0.312735 0.267227 F\n0.839209 0.809380 0.271781 F\n",
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"volume": 204.84927031755808,
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"formula_full": "Zn1 Cr2 F12",
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{
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