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{
"id": "mp-560255",
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"structure_string": "Nb4 P4 Cl32 O4\n1.0\n8.622336 0.000000 0.000000\n0.000000 9.279700 0.000000\n0.000000 0.000000 17.124849\nNb P Cl O\n4 4 32 4\ndirect\n0.250000 0.084154 0.852381 Nb\n0.750000 0.584154 0.647619 Nb\n0.250000 0.415846 0.352381 Nb\n0.750000 0.915846 0.147619 Nb\n0.750000 0.283540 0.076548 P\n0.250000 0.716460 0.923452 P\n0.250000 0.783540 0.423452 P\n0.750000 0.216460 0.576548 P\n0.933819 0.130959 0.628785 Cl\n0.250000 0.640634 0.031729 Cl\n0.479629 0.557477 0.639676 Cl\n0.979629 0.442523 0.360324 Cl\n0.979629 0.057477 0.860324 Cl\n0.066181 0.869041 0.371215 Cl\n0.020371 0.557477 0.639676 Cl\n0.250000 0.928694 0.741133 Cl\n0.750000 0.359366 0.968271 Cl\n0.750000 0.702225 0.526276 Cl\n0.750000 0.797775 0.026276 Cl\n0.433819 0.630959 0.871215 Cl\n0.250000 0.571306 0.241133 Cl\n0.520371 0.057477 0.860324 Cl\n0.750000 0.071306 0.258867 Cl\n0.250000 0.210704 0.278021 Cl\n0.250000 0.859366 0.531729 Cl\n0.750000 0.428694 0.758867 Cl\n0.433819 0.869041 0.371215 Cl\n0.250000 0.297775 0.473724 Cl\n0.520371 0.442523 0.360324 Cl\n0.566181 0.130959 0.628785 Cl\n0.750000 0.789296 0.721979 Cl\n0.020371 0.942523 0.139676 Cl\n0.933819 0.369041 0.128785 Cl\n0.066181 0.630959 0.871215 Cl\n0.250000 0.289296 0.778021 Cl\n0.250000 0.202225 0.973724 Cl\n0.750000 0.140634 0.468271 Cl\n0.566181 0.369041 0.128785 Cl\n0.479629 0.942523 0.139676 Cl\n0.750000 0.710704 0.221979 Cl\n0.750000 0.376834 0.577037 O\n0.250000 0.623166 0.422963 O\n0.250000 0.876834 0.922963 O\n0.750000 0.123166 0.077037 O\n",
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"spacegroup": 62
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{
"id": "mp-1176782",
"created_at": "2022-09-04T14:42:09.031430Z",
"structure_string": "Li2 Co4 P4 O16\n1.0\n5.118853 0.000000 0.000000\n0.000000 8.567556 0.000000\n0.000000 5.868282 8.240557\nLi Co P O\n2 4 4 16\ndirect\n0.436309 0.497817 0.504159 Li\n0.563691 0.497817 0.004159 Li\n0.044180 0.498588 0.251491 Co\n0.447926 0.999547 0.753155 Co\n0.552074 0.999547 0.253155 Co\n0.955820 0.498588 0.751491 Co\n0.539701 0.747518 0.126788 P\n0.950180 0.249799 0.625611 P\n0.049820 0.249799 0.125611 P\n0.460299 0.747518 0.626788 P\n0.836142 0.709154 0.174039 O\n0.651412 0.248047 0.651849 O\n0.387503 0.568948 0.273277 O\n0.932854 0.431192 0.110257 O\n0.084346 0.065802 0.760268 O\n0.490213 0.749673 0.974454 O\n0.013834 0.282891 0.459294 O\n0.915654 0.065802 0.260268 O\n0.539616 0.933557 0.602423 O\n0.348588 0.248047 0.151849 O\n0.612497 0.568948 0.773277 O\n0.986166 0.282891 0.959294 O\n0.509787 0.749673 0.474454 O\n0.163858 0.709154 0.674039 O\n0.460384 0.933557 0.102423 O\n0.067146 0.431192 0.610257 O\n",
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"formula_full": "Li2 Co4 P4 O16",
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},
{
"id": "mp-756929",
"created_at": "2022-09-04T14:42:09.011018Z",
"structure_string": "Li4 Fe5 Sn3 O16\n1.0\n6.101381 0.000000 0.000000\n-3.037746 5.296001 0.000000\n-0.032071 -0.056536 9.697902\nLi Fe Sn O\n4 5 3 16\ndirect\n0.316462 0.666832 0.888201 Li\n0.022066 0.983519 0.991417 Li\n0.011294 0.987859 0.499683 Li\n0.663860 0.334060 0.398319 Li\n0.341832 0.679505 0.494600 Fe\n0.170642 0.832389 0.219474 Fe\n0.656553 0.334139 0.987897 Fe\n0.340279 0.170293 0.713518 Fe\n0.824025 0.660273 0.716916 Fe\n0.165564 0.339307 0.214167 Sn\n0.659361 0.829420 0.210927 Sn\n0.835468 0.175462 0.713158 Sn\n0.176738 0.325142 0.599314 O\n0.483051 0.519606 0.343292 O\n0.323992 0.669239 0.096783 O\n0.000452 0.998340 0.314641 O\n0.016797 0.004015 0.807593 O\n0.680033 0.837717 0.596342 O\n0.038713 0.525927 0.346583 O\n0.481585 0.965644 0.342274 O\n0.835380 0.159140 0.090567 O\n0.180087 0.847798 0.605823 O\n0.508039 0.039483 0.836202 O\n0.952986 0.486100 0.844497 O\n0.652826 0.333661 0.605430 O\n0.328418 0.162409 0.100138 O\n0.498691 0.463437 0.834102 O\n0.834508 0.668984 0.095981 O\n",
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"formula_full": "Li4 Fe5 Sn3 O16",
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{
"id": "mp-1190729",
"created_at": "2022-09-04T14:42:09.013414Z",
"structure_string": "Ba4 Ge4 O16\n1.0\n7.275524 0.000000 0.000000\n-0.156635 7.324638 0.000000\n-0.099107 -0.130169 7.590593\nBa Ge O\n4 4 16\ndirect\n0.579581 0.706274 0.703211 Ba\n0.420419 0.293726 0.296789 Ba\n0.118978 0.225438 0.796702 Ba\n0.881022 0.774562 0.203298 Ba\n0.081598 0.736732 0.703752 Ge\n0.918402 0.263268 0.296248 Ge\n0.620896 0.224433 0.799541 Ge\n0.379104 0.775567 0.200459 Ge\n0.781076 0.397037 0.881253 O\n0.218924 0.602963 0.118747 O\n0.227364 0.585496 0.818221 O\n0.772636 0.414504 0.181779 O\n0.484621 0.330485 0.640536 O\n0.515379 0.669515 0.359464 O\n0.462845 0.142136 0.958646 O\n0.537155 0.857864 0.041354 O\n0.934167 0.636659 0.538891 O\n0.065833 0.363341 0.461109 O\n0.751703 0.049312 0.690940 O\n0.248297 0.950688 0.309060 O\n0.937237 0.850978 0.856113 O\n0.062763 0.149022 0.143887 O\n0.242645 0.904612 0.623425 O\n0.757355 0.095388 0.376575 O\n",
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"formula_full": "Ba4 Ge4 O16",
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{
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"structure_string": "Sc2 Tl1 Cd1\n1.0\n0.000000 3.572200 3.572200\n3.572200 0.000000 3.572200\n3.572200 3.572200 0.000000\nSc Tl Cd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cd\n",
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"formula_full": "Sc2 Tl1 Cd1",
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{
"id": "mp-1073809",
"created_at": "2022-09-04T14:42:09.017691Z",
"structure_string": "Mg6 Si6\n1.0\n4.624575 0.000000 0.000000\n0.372982 5.072925 0.000000\n1.796617 0.450752 10.242318\nMg Si\n6 6\ndirect\n0.905319 0.690327 0.895147 Mg\n0.487199 0.891093 0.244225 Mg\n0.819548 0.581030 0.472534 Mg\n0.364443 0.082722 0.530691 Mg\n0.252680 0.462802 0.106629 Mg\n0.704861 0.292948 0.745879 Mg\n0.462835 0.828518 0.768527 Si\n0.717447 0.375947 0.224249 Si\n0.812526 0.191215 0.006590 Si\n0.303776 0.962664 0.990259 Si\n0.240932 0.562548 0.637925 Si\n0.928545 0.078343 0.377204 Si\n",
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{
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{
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"structure_string": "Ce1 B2 Pt2 C1\n1.0\n-1.913778 1.913778 5.429460\n1.913778 -1.913778 5.429460\n1.913778 1.913778 -5.429460\nCe B Pt C\n1 2 2 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.137079 0.137079 0.000000 B\n0.862921 0.862921 0.000000 B\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "La6 Ta2 Cl12 O8\n1.0\n6.502836 -11.263243 0.000000\n6.502836 11.263243 0.000000\n0.000000 0.000000 4.015426\nLa Ta Cl O\n6 2 12 8\ndirect\n0.281292 0.397331 0.250000 La\n0.718708 0.602669 0.750000 La\n0.602669 0.883961 0.250000 La\n0.397331 0.116039 0.750000 La\n0.116039 0.718708 0.250000 La\n0.883961 0.281292 0.750000 La\n0.666667 0.333333 0.250000 Ta\n0.333333 0.666667 0.750000 Ta\n0.070342 0.443377 0.250000 Cl\n0.929658 0.556623 0.750000 Cl\n0.556623 0.626965 0.250000 Cl\n0.443377 0.373035 0.750000 Cl\n0.373035 0.929658 0.250000 Cl\n0.626965 0.070342 0.750000 Cl\n0.248558 0.142874 0.250000 Cl\n0.751442 0.857126 0.750000 Cl\n0.857126 0.105684 0.250000 Cl\n0.142874 0.894316 0.750000 Cl\n0.894316 0.751442 0.250000 Cl\n0.105684 0.248558 0.750000 Cl\n0.509025 0.201225 0.250000 O\n0.490975 0.798775 0.750000 O\n0.798775 0.307800 0.250000 O\n0.201225 0.692200 0.750000 O\n0.692200 0.490975 0.250000 O\n0.307800 0.509025 0.750000 O\n0.333333 0.666667 0.250000 O\n0.666667 0.333333 0.750000 O\n",
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{
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"structure_string": "Ce1 Al3 Ag1\n1.0\n4.356664 0.000000 0.000000\n0.000000 4.356664 0.000000\n2.178332 2.178332 5.489388\nCe Al Ag\n1 3 1\ndirect\n0.987484 0.987484 0.025032 Ce\n0.749175 0.249175 0.501650 Al\n0.249175 0.749175 0.501650 Al\n0.393384 0.393384 0.213232 Al\n0.620782 0.620782 0.758436 Ag\n",
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},
{
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{
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"structure_string": "Rb4 Ga8 P8 H20 O44\n1.0\n9.745159 0.000000 0.000000\n0.000000 9.764883 0.000000\n0.000000 7.650701 9.616650\nRb Ga P H O\n4 8 8 20 44\ndirect\n0.694035 0.382574 0.600671 Rb\n0.194035 0.617426 0.899329 Rb\n0.305965 0.617426 0.399329 Rb\n0.805965 0.382574 0.100671 Rb\n0.727967 0.717661 0.184895 Ga\n0.227967 0.282339 0.315105 Ga\n0.272033 0.282339 0.815105 Ga\n0.772033 0.717661 0.684895 Ga\n0.455008 0.982316 0.629099 Ga\n0.955008 0.017684 0.870901 Ga\n0.544992 0.017684 0.370901 Ga\n0.044992 0.982316 0.129099 Ga\n0.527121 0.354405 0.350090 P\n0.027121 0.645595 0.149910 P\n0.472879 0.645595 0.649910 P\n0.972879 0.354405 0.850090 P\n0.682897 0.841992 0.867855 P\n0.182897 0.158008 0.632145 P\n0.317103 0.158008 0.132145 P\n0.817103 0.841992 0.367855 P\n0.417588 0.800559 0.967873 H\n0.917588 0.199441 0.532127 H\n0.582412 0.199441 0.032127 H\n0.082412 0.800559 0.467873 H\n0.364629 0.647681 0.120884 H\n0.864629 0.352319 0.379116 H\n0.635371 0.352319 0.879116 H\n0.135371 0.647681 0.620884 H\n0.526777 0.930161 0.176619 H\n0.026777 0.069839 0.323381 H\n0.473223 0.069839 0.823381 H\n0.973223 0.930161 0.676619 H\n0.476203 0.840045 0.105224 H\n0.976203 0.159955 0.394776 H\n0.523797 0.159955 0.894776 H\n0.023797 0.840045 0.605224 H\n0.703718 0.048157 0.521909 H\n0.203718 0.951843 0.978091 H\n0.296282 0.951843 0.478091 H\n0.796282 0.048157 0.021909 H\n0.359769 0.776171 0.043904 O\n0.859769 0.223829 0.456096 O\n0.640231 0.223829 0.956096 O\n0.140231 0.776171 0.543904 O\n0.553669 0.854986 0.151200 O\n0.053669 0.145014 0.348800 O\n0.446331 0.145014 0.848800 O\n0.946331 0.854986 0.651200 O\n0.643637 0.946565 0.557304 O\n0.143637 0.053435 0.942696 O\n0.356363 0.053435 0.442696 O\n0.856363 0.946565 0.057304 O\n0.508882 0.227905 0.511828 O\n0.008882 0.772095 0.988172 O\n0.491118 0.772095 0.488172 O\n0.991118 0.227905 0.011828 O\n0.884037 0.567116 0.220263 O\n0.384037 0.432884 0.279737 O\n0.115963 0.432884 0.779737 O\n0.615963 0.567116 0.720263 O\n0.412091 0.743450 0.701416 O\n0.912091 0.256550 0.798584 O\n0.587909 0.256550 0.298584 O\n0.087909 0.743450 0.201416 O\n0.620359 0.502079 0.316226 O\n0.120359 0.497921 0.183774 O\n0.379641 0.497921 0.683774 O\n0.879641 0.502079 0.816226 O\n0.536722 0.920247 0.802284 O\n0.036722 0.079753 0.697716 O\n0.463278 0.079753 0.197716 O\n0.963278 0.920247 0.302284 O\n0.280829 0.999961 0.696501 O\n0.780829 0.000039 0.803499 O\n0.719171 0.000039 0.303499 O\n0.219171 0.999961 0.196501 O\n0.771165 0.716086 0.339421 O\n0.271165 0.283914 0.160579 O\n0.228835 0.283914 0.660579 O\n0.728835 0.716086 0.839421 O\n0.667785 0.733001 0.026463 O\n0.167785 0.266999 0.473537 O\n0.332215 0.266999 0.973537 O\n0.832215 0.733001 0.526463 O\n",
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"elements": [
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],
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"formula_full": "Rb4 Ga8 P8 H20 O44",
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"updated_at": "2021-11-28T01:35:38.545000Z",
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}
]
}