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{
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{
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"structure_string": "Na2 Nb2 W2 O14\n1.0\n-3.744598 3.747816 5.225240\n3.744598 -3.747816 5.225240\n3.744598 3.747816 -5.225240\nNa Nb W O\n2 2 2 14\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.500000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.619285 0.369285 0.250000 O\n0.380715 0.630715 0.750000 O\n0.315688 0.062170 0.621256 O\n0.315688 0.694432 0.253517 O\n0.307059 0.057059 0.250000 O\n0.940915 0.694432 0.878744 O\n0.940915 0.062170 0.246483 O\n0.929611 0.679611 0.250000 O\n0.684312 0.937830 0.378744 O\n0.684312 0.305568 0.746483 O\n0.692941 0.942941 0.750000 O\n0.059085 0.305568 0.121256 O\n0.059085 0.937830 0.753517 O\n0.070389 0.320389 0.750000 O\n",
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{
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"structure_string": "Li4 U4 As4 O24\n1.0\n5.236436 0.000000 0.000000\n2.406109 10.005789 0.000000\n2.564074 4.239870 10.057904\nLi U As O\n4 4 4 24\ndirect\n0.545777 0.376780 0.768769 Li\n0.454223 0.623220 0.231231 Li\n0.458251 0.092509 0.294691 Li\n0.541749 0.907491 0.705309 Li\n0.498743 0.280385 0.479308 U\n0.981982 0.797980 0.982274 U\n0.501257 0.719615 0.520692 U\n0.018018 0.202020 0.017726 U\n0.933872 0.108285 0.728470 As\n0.938599 0.582027 0.783464 As\n0.061401 0.417973 0.216536 As\n0.066128 0.891715 0.271530 As\n0.283850 0.878449 0.538675 O\n0.732386 0.712079 0.675102 O\n0.691659 0.179965 0.118836 O\n0.267614 0.287921 0.324898 O\n0.725619 0.563441 0.504594 O\n0.935791 0.096000 0.886461 O\n0.274381 0.436559 0.495406 O\n0.175592 0.051879 0.230229 O\n0.341522 0.227264 0.913530 O\n0.738501 0.439297 0.295634 O\n0.824408 0.948121 0.769771 O\n0.749812 0.887061 0.359085 O\n0.075990 0.357591 0.094113 O\n0.924010 0.642409 0.905887 O\n0.285241 0.742248 0.350705 O\n0.064209 0.904000 0.113539 O\n0.827744 0.416882 0.849392 O\n0.714759 0.257752 0.649295 O\n0.658478 0.772736 0.086470 O\n0.261499 0.560703 0.704366 O\n0.250188 0.112939 0.640915 O\n0.172256 0.583118 0.150608 O\n0.308341 0.820035 0.881164 O\n0.716150 0.121551 0.461325 O\n",
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{
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{
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{
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{
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{
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{
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},
{
"id": "mp-1180719",
"created_at": "2022-09-04T14:47:19.322741Z",
"structure_string": "Mn4 P2 C10 N2 O22\n1.0\n7.472633 0.000000 0.000000\n0.949831 7.655096 0.000000\n1.887421 2.212228 9.156573\nMn P C N O\n4 2 10 2 22\ndirect\n0.839003 0.029970 0.242774 Mn\n0.160997 0.970030 0.757226 Mn\n0.194938 0.309396 0.116177 Mn\n0.805062 0.690604 0.883823 Mn\n0.088750 0.723984 0.086079 P\n0.911250 0.276016 0.913921 P\n0.490447 0.069314 0.189650 C\n0.509553 0.930686 0.810350 C\n0.520427 0.242400 0.227484 C\n0.479573 0.757600 0.772516 C\n0.069189 0.068894 0.454883 C\n0.930811 0.931106 0.545117 C\n0.915222 0.498974 0.498880 C\n0.084778 0.501026 0.501120 C\n0.585557 0.499289 0.498662 C\n0.414443 0.500711 0.501338 C\n0.751020 0.495866 0.498109 N\n0.248980 0.504134 0.501891 N\n0.039217 0.142916 0.324962 O\n0.960783 0.857084 0.675038 O\n0.979643 0.816181 0.207112 O\n0.020357 0.183819 0.792888 O\n0.194536 0.097999 0.513008 O\n0.805464 0.902001 0.486992 O\n0.608258 0.936987 0.218408 O\n0.391742 0.063013 0.781592 O\n0.665209 0.241544 0.279987 O\n0.334791 0.758456 0.720013 O\n0.997819 0.789951 0.940134 O\n0.002181 0.210049 0.059866 O\n0.344538 0.066578 0.143256 O\n0.655462 0.933422 0.856744 O\n0.394040 0.366945 0.215681 O\n0.605960 0.633055 0.784319 O\n0.306513 0.386767 0.945452 O\n0.693487 0.613233 0.054548 O\n0.053639 0.519617 0.151762 O\n0.946361 0.480383 0.848238 O\n0.283794 0.768241 0.036112 O\n0.716206 0.231759 0.963888 O\n",
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"elements": [
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],
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"formula_full": "Mn4 P2 C10 N2 O22",
"formula_reduced": "Mn2PC5NO11",
"formula_anonymous": "ABC2D5E11",
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},
{
"id": "mp-1182771",
"created_at": "2022-09-04T14:46:05.404138Z",
"structure_string": "K4 U4 V4 O24\n1.0\n6.663537 0.000000 -1.182597\n0.000000 8.106398 0.000000\n2.810647 0.000000 14.426901\nK U V O\n4 4 4 24\ndirect\n0.521714 0.834405 0.735055 K\n0.521714 0.665595 0.235055 K\n0.478286 0.165595 0.264945 K\n0.478286 0.334405 0.764945 K\n0.988845 0.564672 0.719355 U\n0.988845 0.935328 0.219355 U\n0.011155 0.435328 0.280645 U\n0.011155 0.064672 0.780645 U\n0.814101 0.508248 0.964620 V\n0.185899 0.491752 0.035380 V\n0.185899 0.008248 0.535380 V\n0.814101 0.991752 0.464620 V\n0.069495 0.188242 0.240027 O\n0.421878 0.001437 0.465260 O\n0.930505 0.688242 0.259973 O\n0.805134 0.983369 0.346214 O\n0.250131 0.033274 0.838590 O\n0.194866 0.016631 0.653786 O\n0.421878 0.498563 0.965260 O\n0.805134 0.516631 0.846214 O\n0.069495 0.311758 0.740027 O\n0.999490 0.654719 0.010229 O\n0.250644 0.896843 0.250731 O\n0.250131 0.466726 0.338590 O\n0.749869 0.533274 0.661410 O\n0.194866 0.483369 0.153786 O\n0.578122 0.501437 0.034740 O\n0.000510 0.154719 0.489771 O\n0.000510 0.345281 0.989771 O\n0.250644 0.603157 0.750731 O\n0.578122 0.998563 0.534740 O\n0.749869 0.966726 0.161410 O\n0.749356 0.396843 0.249269 O\n0.749356 0.103157 0.749269 O\n0.930505 0.811758 0.759973 O\n0.999490 0.845281 0.510229 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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],
"chemical_system": "K-O-U-V",
"density": 3.4936046966001326,
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"volume": 806.2465482970173,
"volume_molar": 13.487028336413267,
"formula_full": "K4 U4 V4 O24",
"formula_reduced": "KUVO6",
"formula_anonymous": "ABCD6",
"energy": -287.43236458,
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"updated_at": "2021-11-28T01:37:18.328000Z",
"spacegroup": 14
}
]
}