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{
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"elements": [
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"updated_at": "2021-11-28T01:34:31.776000Z",
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},
{
"id": "mp-704101",
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{
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"created_at": "2022-09-04T14:46:00.044077Z",
"structure_string": "K16 Yb8 Ti8 P24 O96\n1.0\n10.316284 0.000000 0.000000\n-0.033300 10.391402 0.000000\n-0.007501 -0.014802 20.689168\nYb K Ti P O\n8 16 8 24 96\ndirect\n0.902152 0.396764 0.699402 Yb\n0.904588 0.393782 0.201474 Yb\n0.827781 0.160206 0.413126 Yb\n0.591600 0.607788 0.949079 Yb\n0.333132 0.327043 0.081119 Yb\n0.334702 0.330142 0.584578 Yb\n0.166566 0.672744 0.831706 Yb\n0.167616 0.668905 0.330525 Yb\n0.955446 0.542918 0.523688 K\n0.951561 0.546466 0.023971 K\n0.819613 0.813118 0.841924 K\n0.824464 0.819178 0.340773 K\n0.681801 0.184949 0.590441 K\n0.680207 0.187400 0.091176 K\n0.547172 0.453501 0.773574 K\n0.547399 0.451750 0.272529 K\n0.452856 0.952750 0.976337 K\n0.454227 0.956810 0.476347 K\n0.315701 0.674891 0.660123 K\n0.317088 0.675509 0.160098 K\n0.177186 0.322434 0.409934 K\n0.183724 0.325187 0.909756 K\n0.047046 0.047716 0.726868 K\n0.046023 0.047964 0.227353 K\n0.835466 0.166070 0.916539 Ti\n0.665075 0.834634 0.667235 Ti\n0.663754 0.833863 0.166345 Ti\n0.604689 0.608814 0.447373 Ti\n0.393970 0.103027 0.803391 Ti\n0.396424 0.104886 0.303628 Ti\n0.108994 0.895842 0.553190 Ti\n0.105724 0.896922 0.053458 Ti\n0.979121 0.721144 0.680353 P\n0.978299 0.721291 0.180702 P\n0.869101 0.474344 0.858562 P\n0.864568 0.491736 0.358898 P\n0.788889 0.867049 0.512186 P\n0.795046 0.882597 0.010870 P\n0.704626 0.117067 0.760909 P\n0.700841 0.112123 0.255138 P\n0.626035 0.529092 0.603409 P\n0.629908 0.525083 0.108372 P\n0.521762 0.278558 0.930568 P\n0.512731 0.294361 0.434506 P\n0.487505 0.797426 0.806257 P\n0.492949 0.793650 0.310832 P\n0.378789 0.008467 0.647126 P\n0.378671 0.008056 0.147908 P\n0.280611 0.636382 0.996641 P\n0.291142 0.631155 0.493159 P\n0.217754 0.363982 0.746982 P\n0.218877 0.362885 0.246095 P\n0.131943 0.987710 0.396127 P\n0.121125 0.991567 0.897126 P\n0.018401 0.201159 0.559750 P\n0.011915 0.203190 0.056669 P\n0.999482 0.545182 0.868101 O\n0.980345 0.581739 0.369249 O\n0.986180 0.583086 0.655802 O\n0.984545 0.582956 0.156482 O\n0.958622 0.270200 0.617780 O\n0.946385 0.278487 0.110551 O\n0.936095 0.831036 0.512459 O\n0.941536 0.843503 0.012503 O\n0.926246 0.225701 0.503279 O\n0.919296 0.215380 0.996159 O\n0.887046 0.328747 0.879046 O\n0.900473 0.355291 0.378613 O\n0.835013 0.764574 0.690767 O\n0.834156 0.765568 0.190134 O\n0.819300 0.483800 0.789423 O\n0.813017 0.497150 0.289823 O\n0.779666 0.222737 0.726037 O\n0.776473 0.221306 0.223718 O\n0.780359 0.008204 0.969990 O\n0.760875 0.986576 0.472358 O\n0.774618 0.541663 0.904577 O\n0.754496 0.545513 0.405386 O\n0.758851 0.093549 0.830540 O\n0.752407 0.073308 0.321006 O\n0.738177 0.888209 0.582706 O\n0.740851 0.904067 0.080658 O\n0.737958 0.461469 0.636829 O\n0.725637 0.458797 0.153504 O\n0.719355 0.991803 0.719127 O\n0.711066 0.993566 0.208414 O\n0.719385 0.778388 0.975935 O\n0.710082 0.755005 0.479791 O\n0.654429 0.529569 0.528844 O\n0.677732 0.517517 0.038771 O\n0.666181 0.234275 0.939810 O\n0.647081 0.246253 0.452934 O\n0.611475 0.670000 0.129601 O\n0.609643 0.670311 0.628416 O\n0.579960 0.783779 0.745954 O\n0.588024 0.780217 0.251848 O\n0.558168 0.156175 0.762531 O\n0.554897 0.153341 0.259234 O\n0.553810 0.722813 0.860171 O\n0.555382 0.714108 0.367470 O\n0.515754 0.416880 0.905889 O\n0.517350 0.441651 0.416237 O\n0.500447 0.453610 0.118312 O\n0.502023 0.454083 0.617050 O\n0.495859 0.912250 0.141604 O\n0.498128 0.915988 0.640450 O\n0.478300 0.941509 0.827879 O\n0.485137 0.937595 0.332493 O\n0.457500 0.185944 0.879671 O\n0.458668 0.214296 0.375730 O\n0.418421 0.691544 0.000449 O\n0.438654 0.670480 0.489171 O\n0.447234 0.257338 0.993349 O\n0.417611 0.269685 0.489857 O\n0.416160 0.138973 0.121669 O\n0.416819 0.139810 0.620928 O\n0.353720 0.746425 0.787702 O\n0.361199 0.741134 0.291926 O\n0.334043 0.015517 0.719279 O\n0.335061 0.014561 0.220500 O\n0.311287 0.255744 0.773318 O\n0.310361 0.252675 0.272453 O\n0.269339 0.520288 0.540241 O\n0.262686 0.518857 0.040624 O\n0.266816 0.946498 0.106627 O\n0.267034 0.946231 0.606091 O\n0.256382 0.402376 0.678423 O\n0.256660 0.398636 0.177351 O\n0.243739 0.600840 0.927442 O\n0.242098 0.597425 0.426130 O\n0.232228 0.053958 0.856025 O\n0.251899 0.044030 0.357828 O\n0.236344 0.480936 0.791629 O\n0.239208 0.478334 0.290865 O\n0.213394 0.748348 0.522406 O\n0.186859 0.744076 0.023389 O\n0.165374 0.984803 0.969451 O\n0.168588 0.980922 0.469755 O\n0.153405 0.249261 0.543011 O\n0.145249 0.253285 0.037615 O\n0.084186 0.859773 0.871368 O\n0.096953 0.854292 0.371873 O\n0.054344 0.743610 0.742869 O\n0.053771 0.743369 0.243097 O\n0.079300 0.310552 0.749317 O\n0.080659 0.309433 0.249567 O\n0.043761 0.811543 0.628194 O\n0.042152 0.813877 0.129624 O\n0.024879 0.053231 0.577473 O\n0.021119 0.058856 0.078192 O\n0.001097 0.083580 0.890565 O\n0.021611 0.082123 0.384513 O\n",
"nsites": 152,
"nelements": 5,
"elements": [
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"K",
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],
"chemical_system": "K-O-P-Ti-Yb",
"density": 3.4980387959854613,
"density_atomic": 0.0685335338273059,
"volume": 2217.8923442502896,
"volume_molar": 8.787144662895802,
"formula_full": "K16 Yb8 Ti8 P24 O96",
"formula_reduced": "K2YbTi(PO4)3",
"formula_anonymous": "ABC2D3E12",
"energy": -1143.4160621,
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"updated_at": "2021-11-28T01:37:20.536000Z",
"spacegroup": 1
},
{
"id": "mp-686635",
"created_at": "2022-09-04T14:46:57.904263Z",
"structure_string": "Rb16 Er7 Ti9 P24 O96\n1.0\n10.332758 -0.007111 -0.003800\n-0.007074 10.324044 0.004975\n-0.007601 0.009969 20.639447\nRb Er Ti P O\n16 7 9 24 96\ndirect\n0.043679 0.458084 0.269867 Rb\n0.041733 0.456509 0.771813 Rb\n0.179330 0.179815 0.090356 Rb\n0.182102 0.181610 0.588352 Rb\n0.320402 0.820667 0.342047 Rb\n0.321479 0.819005 0.839747 Rb\n0.458364 0.541863 0.021305 Rb\n0.460726 0.545905 0.521741 Rb\n0.542365 0.043260 0.228151 Rb\n0.543597 0.042079 0.729645 Rb\n0.679238 0.320722 0.910482 Rb\n0.680937 0.319169 0.410358 Rb\n0.821359 0.680839 0.160585 Rb\n0.819989 0.679010 0.657722 Rb\n0.957782 0.954257 0.478070 Rb\n0.958059 0.957861 0.979022 Rb\n0.105514 0.599970 0.447949 Er\n0.167805 0.835019 0.168808 Er\n0.333199 0.164119 0.915853 Er\n0.603894 0.903421 0.552623 Er\n0.667216 0.666388 0.832189 Er\n0.836854 0.331600 0.581296 Er\n0.833455 0.336227 0.084150 Er\n0.107073 0.605749 0.946503 Ti\n0.168087 0.836031 0.666742 Ti\n0.334551 0.165320 0.418482 Ti\n0.396157 0.393644 0.196061 Ti\n0.391729 0.393817 0.698479 Ti\n0.607013 0.894213 0.053188 Ti\n0.667445 0.663769 0.332940 Ti\n0.889246 0.105057 0.301323 Ti\n0.895491 0.106087 0.804420 Ti\n0.020485 0.279487 0.431232 P\n0.013658 0.295830 0.934677 P\n0.133201 0.514205 0.102379 P\n0.134624 0.521959 0.609719 P\n0.208891 0.134720 0.262369 P\n0.204694 0.122862 0.754659 P\n0.295174 0.867600 0.007584 P\n0.287886 0.879447 0.509284 P\n0.382651 0.476901 0.351221 P\n0.368919 0.485649 0.853707 P\n0.490566 0.703005 0.188384 P\n0.472393 0.705596 0.686853 P\n0.513582 0.204135 0.065637 P\n0.505206 0.215492 0.563747 P\n0.627360 0.983228 0.391510 P\n0.632936 0.986539 0.897981 P\n0.705356 0.377456 0.245182 P\n0.705169 0.366271 0.741970 P\n0.785662 0.627901 0.488013 P\n0.795545 0.632660 0.992838 P\n0.869261 0.014610 0.146067 P\n0.884971 0.013699 0.651174 P\n0.970987 0.794060 0.312918 P\n0.991062 0.796862 0.811716 P\n0.017585 0.425103 0.116257 O\n0.007052 0.446718 0.619854 O\n0.010450 0.420795 0.408778 O\n0.015341 0.443976 0.917470 O\n0.036958 0.722787 0.368462 O\n0.051402 0.717278 0.868868 O\n0.061428 0.166821 0.261064 O\n0.059272 0.163588 0.757077 O\n0.046515 0.767498 0.250471 O\n0.081102 0.780088 0.751515 O\n0.105287 0.650628 0.127010 O\n0.114920 0.666372 0.630311 O\n0.165542 0.240636 0.440898 O\n0.149592 0.245762 0.949386 O\n0.165610 0.515131 0.028149 O\n0.181714 0.512031 0.539142 O\n0.197665 0.782191 0.476122 O\n0.218736 0.749649 0.977776 O\n0.236505 0.010969 0.223683 O\n0.223405 0.001850 0.710265 O\n0.251724 0.454821 0.140549 O\n0.237603 0.457168 0.654878 O\n0.246153 0.898608 0.075770 O\n0.242481 0.898811 0.581311 O\n0.259519 0.115004 0.333019 O\n0.256107 0.091856 0.822114 O\n0.274480 0.545530 0.388095 O\n0.250626 0.544305 0.891810 O\n0.275005 0.011228 0.470507 O\n0.269298 0.982831 0.962470 O\n0.284273 0.247374 0.229077 O\n0.285874 0.234929 0.723719 O\n0.344575 0.477321 0.277597 O\n0.332611 0.481512 0.780010 O\n0.355672 0.754292 0.204082 O\n0.330270 0.756443 0.695487 O\n0.402326 0.336911 0.377687 O\n0.398827 0.349144 0.877704 O\n0.423628 0.231007 0.008025 O\n0.422437 0.229927 0.500004 O\n0.443513 0.833230 0.009648 O\n0.427363 0.831793 0.504537 O\n0.455801 0.279905 0.125458 O\n0.444770 0.308045 0.616036 O\n0.486457 0.556631 0.168228 O\n0.473890 0.556343 0.671764 O\n0.484839 0.574713 0.866974 O\n0.508469 0.559356 0.360576 O\n0.498940 0.061900 0.384857 O\n0.517752 0.076011 0.883989 O\n0.515112 0.056069 0.082788 O\n0.496990 0.076116 0.589663 O\n0.551654 0.782031 0.131498 O\n0.537580 0.775409 0.630709 O\n0.559998 0.336102 0.243482 O\n0.556797 0.331918 0.740611 O\n0.578967 0.718900 0.249233 O\n0.547755 0.733380 0.749378 O\n0.603774 0.850333 0.873625 O\n0.606111 0.840492 0.368626 O\n0.649225 0.254409 0.051076 O\n0.645345 0.255567 0.548997 O\n0.678604 0.992238 0.460864 O\n0.665463 0.985516 0.972272 O\n0.718903 0.750589 0.022604 O\n0.699503 0.729968 0.519553 O\n0.724980 0.498883 0.289371 O\n0.730952 0.483599 0.786060 O\n0.729302 0.048953 0.345500 O\n0.752169 0.044847 0.860196 O\n0.745798 0.601837 0.924859 O\n0.743198 0.612661 0.414500 O\n0.755990 0.408375 0.177669 O\n0.753464 0.395388 0.673434 O\n0.751169 0.955479 0.108242 O\n0.773369 0.950254 0.613434 O\n0.769350 0.517573 0.038008 O\n0.764029 0.496760 0.522375 O\n0.787148 0.265742 0.275763 O\n0.781231 0.249102 0.772172 O\n0.833011 0.018244 0.219833 O\n0.845191 0.016212 0.724553 O\n0.828176 0.744313 0.303684 O\n0.856235 0.745070 0.795754 O\n0.914307 0.149388 0.625095 O\n0.899321 0.151090 0.122442 O\n0.947303 0.256050 0.495272 O\n0.923745 0.269088 0.992286 O\n0.927707 0.670045 0.493600 O\n0.943732 0.667068 0.990646 O\n0.954112 0.190693 0.379176 O\n0.956062 0.219934 0.874843 O\n0.970186 0.942776 0.328935 O\n0.987048 0.942837 0.832444 O\n0.985961 0.926511 0.133242 O\n0.006501 0.924112 0.641999 O\n",
"nsites": 152,
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"elements": [
"Rb",
"Er",
"Ti",
"P",
"O"
],
"chemical_system": "Er-O-P-Rb-Ti",
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"formula_full": "Rb16 Er7 Ti9 P24 O96",
"formula_reduced": "Rb16Er7Ti9(PO4)24",
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"energy": -1192.38394553,
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"updated_at": "2021-11-28T01:37:46.824000Z",
"spacegroup": 1
},
{
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},
{
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}
]
}