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{
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{
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{
"id": "mp-780484",
"created_at": "2022-09-04T14:44:59.008353Z",
"structure_string": "Li20 Mn8 P12 O48\n1.0\n8.947753 0.000000 0.000000\n0.031403 8.998644 0.000000\n0.140945 0.731674 12.485395\nLi Mn P O\n20 8 12 48\ndirect\n0.481014 0.051266 0.653128 Li\n0.965901 0.085286 0.313551 Li\n0.274148 0.160404 0.229521 Li\n0.220412 0.198597 0.825743 Li\n0.720990 0.283742 0.660537 Li\n0.771547 0.335676 0.270052 Li\n0.468218 0.408322 0.190514 Li\n0.744610 0.416030 0.811883 Li\n0.032158 0.461743 0.826168 Li\n0.979196 0.531668 0.164286 Li\n0.249238 0.578008 0.188124 Li\n0.540668 0.596583 0.800320 Li\n0.227857 0.657555 0.733077 Li\n0.269445 0.665860 0.372572 Li\n0.797028 0.782464 0.151109 Li\n0.409329 0.845496 0.258110 Li\n0.722270 0.861276 0.760917 Li\n0.089070 0.942157 0.694736 Li\n0.760147 0.914540 0.303254 Li\n0.509464 0.040723 0.338071 Li\n0.960997 0.235298 0.092110 Mn\n0.441288 0.286293 0.419812 Mn\n0.051084 0.260076 0.604041 Mn\n0.530249 0.225901 0.902704 Mn\n0.476424 0.732119 0.068020 Mn\n0.961400 0.741990 0.408325 Mn\n0.551581 0.745139 0.587142 Mn\n0.035453 0.760885 0.905484 Mn\n0.749526 0.058688 0.509101 P\n0.619688 0.099416 0.155231 P\n0.900543 0.105567 0.840137 P\n0.116755 0.396230 0.346158 P\n0.401734 0.405359 0.671738 P\n0.249953 0.447642 0.995645 P\n0.756959 0.534143 0.003803 P\n0.592214 0.607354 0.329922 P\n0.881339 0.604084 0.660055 P\n0.086932 0.889755 0.165042 P\n0.378981 0.901335 0.844096 P\n0.253052 0.956098 0.488406 P\n0.140893 0.044961 0.553347 O\n0.114218 0.060962 0.155497 O\n0.311844 0.050145 0.384979 O\n0.401477 0.069259 0.807037 O\n0.618674 0.120535 0.437989 O\n0.618660 0.109287 0.034198 O\n0.776038 0.139709 0.200973 O\n0.025865 0.133001 0.752845 O\n0.750339 0.182031 0.805749 O\n0.832507 0.191003 0.552787 O\n0.495091 0.192796 0.208266 O\n0.961213 0.177967 0.939283 O\n0.993830 0.302766 0.295404 O\n0.462160 0.319434 0.576279 O\n0.275956 0.359312 0.297437 O\n0.308489 0.300501 0.954083 O\n0.127515 0.379746 0.467406 O\n0.243863 0.350853 0.706101 O\n0.523965 0.376188 0.759191 O\n0.119542 0.419321 0.079205 O\n0.806047 0.437169 0.105973 O\n0.603666 0.434369 0.338739 O\n0.896233 0.433571 0.696117 O\n0.635537 0.457509 0.939905 O\n0.370527 0.523800 0.064418 O\n0.089977 0.564408 0.307327 O\n0.396549 0.578114 0.652308 O\n0.199612 0.554952 0.900636 O\n0.891230 0.564878 0.926107 O\n0.471154 0.641516 0.239947 O\n0.744966 0.677495 0.298735 O\n0.879920 0.626497 0.538205 O\n0.697484 0.684401 0.043386 O\n0.725404 0.654129 0.705031 O\n0.521041 0.675842 0.429057 O\n0.010765 0.686440 0.713775 O\n0.018868 0.816696 0.067905 O\n0.504832 0.811083 0.790956 O\n0.180464 0.812913 0.448701 O\n0.232582 0.806545 0.197655 O\n0.963138 0.868170 0.254612 O\n0.222934 0.851758 0.803426 O\n0.380288 0.880371 0.966752 O\n0.386643 0.913711 0.561585 O\n0.590482 0.934833 0.204854 O\n0.685284 0.956988 0.604448 O\n0.879126 0.933864 0.852949 O\n0.850331 0.968141 0.433395 O\n",
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"volume": 1005.2945878982656,
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"formula_full": "Li20 Mn8 P12 O48",
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{
"id": "mp-764792",
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"structure_string": "Li4 Ni8 O9 F7\n1.0\n4.277439 -4.127383 0.117983\n-4.263166 0.138888 -4.092841\n8.546544 4.237591 -4.259894\nLi Ni O F\n4 8 9 7\ndirect\n0.818574 0.718019 0.054997 Li\n0.697105 0.791185 0.449947 Li\n0.292772 0.206813 0.550299 Li\n0.201944 0.292247 0.949723 Li\n0.244811 0.750877 0.244128 Ni\n0.250300 0.241730 0.247424 Ni\n0.997440 0.498775 0.499104 Ni\n0.492911 0.001029 0.002776 Ni\n0.248110 0.749035 0.749966 Ni\n0.750814 0.248965 0.248753 Ni\n0.746976 0.749151 0.750472 Ni\n0.748452 0.249277 0.750105 Ni\n0.147680 0.907578 0.131410 O\n0.116746 0.374297 0.156042 O\n0.594976 0.903021 0.137025 O\n0.610949 0.883486 0.654502 O\n0.907361 0.594424 0.361489 O\n0.091273 0.404874 0.635411 O\n0.385318 0.122144 0.342996 O\n0.404413 0.095057 0.863370 O\n0.885541 0.615699 0.845240 O\n0.112733 0.875704 0.618277 F\n0.632788 0.386123 0.123944 F\n0.369790 0.598563 0.374111 F\n0.621877 0.383204 0.619138 F\n0.380667 0.621177 0.879042 F\n0.877719 0.121678 0.379855 F\n0.869957 0.115865 0.880455 F\n",
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"formula_full": "Li4 Ni8 O9 F7",
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{
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"structure_string": "Fe2 S4\n1.0\n3.390309 0.000000 0.000000\n0.000000 4.438316 0.000000\n0.000000 0.000000 5.411022\nFe S\n2 4\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.293999 0.875330 S\n0.500000 0.706001 0.124670 S\n0.000000 0.206001 0.375330 S\n0.000000 0.793999 0.624670 S\n",
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{
"id": "mp-698032",
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"structure_string": "Na12 H28 Ru4\n1.0\n9.551587 0.000000 0.000000\n0.000000 9.551587 0.000000\n0.000000 0.000000 5.318282\nNa H Ru\n12 28 4\ndirect\n0.699407 0.964710 0.500000 Na\n0.300593 0.035290 0.500000 Na\n0.199407 0.535290 0.000000 Na\n0.800593 0.464710 0.000000 Na\n0.964710 0.699407 0.500000 Na\n0.035290 0.300593 0.500000 Na\n0.535290 0.199407 0.000000 Na\n0.464710 0.800593 0.000000 Na\n0.386660 0.386660 0.500000 Na\n0.613340 0.613340 0.500000 Na\n0.886660 0.113340 0.000000 Na\n0.113340 0.886660 0.000000 Na\n0.605403 0.394597 0.698776 H\n0.394597 0.605403 0.698776 H\n0.105403 0.105403 0.198776 H\n0.894597 0.894597 0.198776 H\n0.394597 0.605403 0.301224 H\n0.605403 0.394597 0.301224 H\n0.894597 0.894597 0.801224 H\n0.105403 0.105403 0.801224 H\n0.745802 0.254198 0.211311 H\n0.254198 0.745802 0.211311 H\n0.245802 0.245802 0.711311 H\n0.754198 0.754198 0.711311 H\n0.254198 0.745802 0.788689 H\n0.745802 0.254198 0.788689 H\n0.754198 0.754198 0.288689 H\n0.245802 0.245802 0.288689 H\n0.567623 0.176476 0.500000 H\n0.432377 0.823524 0.500000 H\n0.067623 0.323524 0.000000 H\n0.932377 0.676476 0.000000 H\n0.176476 0.567623 0.500000 H\n0.823524 0.432377 0.500000 H\n0.323524 0.067623 0.000000 H\n0.676476 0.932377 0.000000 H\n0.824717 0.175283 0.500000 H\n0.175283 0.824717 0.500000 H\n0.324717 0.324717 0.000000 H\n0.675283 0.675283 0.000000 H\n0.702504 0.297496 0.500000 Ru\n0.297496 0.702504 0.500000 Ru\n0.202504 0.202504 0.000000 Ru\n0.797496 0.797496 0.000000 Ru\n",
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{
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"structure_string": "Li5 V2 Cr2 O8\n1.0\n0.000028 3.549317 -4.860717\n-6.045790 0.015229 0.011139\n3.005641 5.228841 0.091899\nLi V Cr O\n5 2 2 8\ndirect\n0.000022 0.999944 0.999962 Li\n0.499944 0.999999 0.499992 Li\n0.000086 0.000005 0.499995 Li\n0.934296 0.709155 0.131406 Li\n0.065788 0.290681 0.868428 Li\n0.499903 0.999930 0.000165 V\n0.499917 0.500129 0.000141 V\n0.000328 0.499817 0.499578 Cr\n0.500185 0.499843 0.499578 Cr\n0.252142 0.263672 0.495671 O\n0.747772 0.736597 0.504420 O\n0.248569 0.734630 0.502832 O\n0.751301 0.265383 0.497360 O\n0.269310 0.751817 0.980014 O\n0.750667 0.751821 0.980012 O\n0.249062 0.248288 0.020218 O\n0.730712 0.248288 0.020217 O\n",
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{
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"structure_string": "Lu4 Mn1 S7\n1.0\n1.861502 6.170873 0.000000\n-1.861502 6.170873 0.000000\n0.000000 2.854541 10.952259\nLu Mn S\n4 1 7\ndirect\n0.693046 0.693046 0.200816 Lu\n0.306226 0.306226 0.803508 Lu\n0.000018 0.000018 0.003630 Lu\n0.114580 0.114580 0.569887 Lu\n0.885932 0.885932 0.421207 Mn\n0.743696 0.743696 0.642916 S\n0.263088 0.263088 0.353882 S\n0.339881 0.339881 0.050622 S\n0.659928 0.659928 0.948394 S\n0.035322 0.035322 0.221223 S\n0.962345 0.962345 0.784955 S\n0.495938 0.495938 0.498961 S\n",
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{
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{
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"structure_string": "Sr2 Al4\n1.0\n4.489096 0.000000 0.000000\n0.000000 4.489096 0.000000\n0.000000 0.000000 7.865836\nSr Al\n2 4\ndirect\n0.500000 0.000000 0.325156 Sr\n0.000000 0.500000 0.674844 Sr\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.204793 Al\n0.500000 0.000000 0.795207 Al\n",
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"elements": [
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],
"chemical_system": "Al-Sr",
"density": 2.9663867124206162,
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"volume": 158.51219254430592,
"volume_molar": 15.909712261300546,
"formula_full": "Sr2 Al4",
"formula_reduced": "SrAl2",
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{
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"formula_full": "Cd1 Pd1 F6",
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},
{
"id": "mp-1147621",
"created_at": "2022-09-04T14:44:59.078053Z",
"structure_string": "Li6 In2 Br12\n1.0\n5.916653 3.430551 0.000000\n-5.916653 3.430551 0.000000\n0.000000 2.376821 13.063992\nLi In Br\n6 2 12\ndirect\n0.660508 0.821112 0.000387 Li\n0.593002 0.406998 0.250000 Li\n0.178888 0.339492 0.499613 Li\n0.821112 0.660508 0.500387 Li\n0.406998 0.593002 0.750000 Li\n0.339492 0.178888 0.999613 Li\n0.000000 0.500000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.631628 0.139089 0.117885 Br\n0.949089 0.777891 0.119442 Br\n0.291084 0.459633 0.119157 Br\n0.540367 0.708916 0.380843 Br\n0.222109 0.050911 0.380558 Br\n0.860911 0.368372 0.382115 Br\n0.139089 0.631628 0.617885 Br\n0.459633 0.291084 0.619157 Br\n0.777891 0.949089 0.619442 Br\n0.708916 0.540367 0.880843 Br\n0.050911 0.222109 0.880558 Br\n0.368372 0.860911 0.882115 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
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],
"chemical_system": "Br-In-Li",
"density": 3.851715723433905,
"density_atomic": 0.03771239505099478,
"volume": 530.3296163756229,
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"updated_at": "2021-11-28T01:36:47.404000Z",
"spacegroup": 15
}
]
}