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{
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{
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"structure_string": "Cr4 P4 H20 O20\n1.0\n6.823481 0.000000 0.000000\n0.000000 7.634025 0.000000\n0.000000 0.000000 9.327780\nCr P H O\n4 4 20 20\ndirect\n0.225949 0.532613 0.594544 Cr\n0.725949 0.967387 0.405456 Cr\n0.774051 0.032613 0.905456 Cr\n0.274051 0.467387 0.094544 Cr\n0.481174 0.178942 0.650262 P\n0.981174 0.321058 0.349738 P\n0.518826 0.678942 0.849738 P\n0.018826 0.821058 0.150262 P\n0.628666 0.299495 0.613977 H\n0.128666 0.200505 0.386023 H\n0.371334 0.799495 0.886023 H\n0.871334 0.700505 0.113977 H\n0.308724 0.876901 0.534451 H\n0.808724 0.623099 0.465549 H\n0.691276 0.376901 0.965549 H\n0.191276 0.123099 0.034451 H\n0.122454 0.820782 0.436959 H\n0.622454 0.679218 0.563041 H\n0.877546 0.320782 0.063041 H\n0.377546 0.179218 0.936959 H\n0.527188 0.555877 0.344270 H\n0.027188 0.944123 0.655730 H\n0.472812 0.055877 0.155730 H\n0.972812 0.444123 0.844270 H\n0.574907 0.359325 0.320585 H\n0.074907 0.140675 0.679415 H\n0.425093 0.859325 0.179415 H\n0.925093 0.640675 0.820585 H\n0.493591 0.027264 0.540699 O\n0.993591 0.472736 0.459301 O\n0.506409 0.527264 0.959301 O\n0.006409 0.972736 0.040699 O\n0.281013 0.272401 0.643180 O\n0.781013 0.227599 0.356820 O\n0.718987 0.772401 0.856820 O\n0.218987 0.727599 0.143180 O\n0.519828 0.115996 0.805399 O\n0.019828 0.384004 0.194601 O\n0.480172 0.615996 0.694601 O\n0.980172 0.884004 0.305399 O\n0.192308 0.796320 0.530311 O\n0.692308 0.703680 0.469689 O\n0.807692 0.296320 0.969689 O\n0.307692 0.203680 0.030311 O\n0.468419 0.447185 0.307280 O\n0.968419 0.052815 0.692720 O\n0.531581 0.947185 0.192720 O\n0.031581 0.552815 0.807280 O\n",
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"formula_full": "Cr4 P4 H20 O20",
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"updated_at": "2021-11-28T01:37:37.997000Z",
"spacegroup": 19
},
{
"id": "mp-1522918",
"created_at": "2022-09-04T14:44:26.665802Z",
"structure_string": "Ba4 Sr4 Gd4 Nb4 O24\n1.0\n8.499589 0.000000 0.000000\n0.000000 8.503685 0.000000\n0.000000 0.000000 8.516989\nBa Sr Gd Nb O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.749179 0.747444 0.749851 Gd\n0.250821 0.252556 0.749851 Gd\n0.250821 0.747444 0.250149 Gd\n0.749179 0.252556 0.250149 Gd\n0.249517 0.253342 0.250821 Nb\n0.750483 0.746658 0.250821 Nb\n0.750483 0.253342 0.749179 Nb\n0.249517 0.746658 0.749179 Nb\n0.014836 0.226035 0.275113 O\n0.985164 0.773965 0.275113 O\n0.985164 0.226035 0.724887 O\n0.014836 0.773965 0.724887 O\n0.272582 0.016540 0.224012 O\n0.272582 0.983460 0.775988 O\n0.727418 0.983460 0.224012 O\n0.727418 0.016540 0.775988 O\n0.216975 0.283740 0.015384 O\n0.783025 0.283740 0.984616 O\n0.216975 0.716260 0.984616 O\n0.783025 0.716260 0.015384 O\n0.483476 0.288860 0.215126 O\n0.516524 0.711140 0.215126 O\n0.516524 0.288860 0.784874 O\n0.483476 0.711140 0.784874 O\n0.216456 0.485203 0.290273 O\n0.216456 0.514797 0.709727 O\n0.783544 0.514797 0.290273 O\n0.783544 0.485203 0.709727 O\n0.288680 0.219365 0.483885 O\n0.711320 0.219365 0.516115 O\n0.288680 0.780635 0.516115 O\n0.711320 0.780635 0.483885 O\n",
"nsites": 40,
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],
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},
{
"id": "mp-1048245",
"created_at": "2022-09-04T14:42:17.347180Z",
"structure_string": "Mg4 V4 P8 O28\n1.0\n8.552021 0.000000 0.000000\n0.000000 7.106865 0.000000\n0.000000 3.621255 8.438280\nMg V P O\n4 4 8 28\ndirect\n0.941474 0.697948 0.181700 Mg\n0.441474 0.302052 0.318300 Mg\n0.558526 0.697948 0.681700 Mg\n0.058526 0.302052 0.818300 Mg\n0.073812 0.236654 0.390113 V\n0.926188 0.763346 0.609887 V\n0.573812 0.763346 0.109887 V\n0.426188 0.236654 0.890113 V\n0.733974 0.060989 0.757498 P\n0.223683 0.531629 0.031474 P\n0.766026 0.060989 0.257498 P\n0.276317 0.531629 0.531474 P\n0.233974 0.939011 0.742502 P\n0.723683 0.468371 0.468526 P\n0.776317 0.468371 0.968526 P\n0.266026 0.939011 0.242502 P\n0.175167 0.749469 0.900177 O\n0.611125 0.113904 0.309857 O\n0.888875 0.113904 0.809857 O\n0.384532 0.544088 0.102563 O\n0.824833 0.250531 0.099823 O\n0.100526 0.973719 0.622122 O\n0.615468 0.455912 0.897437 O\n0.090709 0.489956 0.152793 O\n0.273784 0.378679 0.450529 O\n0.899474 0.026281 0.377878 O\n0.399474 0.973719 0.122122 O\n0.762450 0.882036 0.202237 O\n0.262450 0.117964 0.297763 O\n0.324833 0.749469 0.400177 O\n0.600526 0.026281 0.877878 O\n0.111125 0.886096 0.190143 O\n0.237550 0.117964 0.797763 O\n0.909291 0.510044 0.847207 O\n0.226216 0.378679 0.950529 O\n0.773784 0.621321 0.049471 O\n0.884532 0.455912 0.397437 O\n0.409291 0.489956 0.652793 O\n0.590709 0.510044 0.347207 O\n0.388875 0.886096 0.690143 O\n0.737550 0.882036 0.702237 O\n0.115468 0.544088 0.602563 O\n0.726216 0.621321 0.549471 O\n0.675167 0.250531 0.599823 O\n",
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"volume": 512.862277370947,
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"formula_full": "Mg4 V4 P8 O28",
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"spacegroup": 14
},
{
"id": "mp-774463",
"created_at": "2022-09-04T14:47:01.713823Z",
"structure_string": "Li6 Cr4 P6 O24\n1.0\n4.379791 7.387809 0.000000\n-4.379791 7.387809 0.000000\n0.000000 4.777801 7.093940\nLi Cr P O\n6 4 6 24\ndirect\n0.995122 0.502979 0.722381 Li\n0.849404 0.150596 0.000000 Li\n0.497021 0.004878 0.277619 Li\n0.153567 0.846433 0.500000 Li\n0.749440 0.656571 0.096175 Li\n0.343429 0.250560 0.903825 Li\n0.855148 0.361495 0.607900 Cr\n0.638505 0.144852 0.392100 Cr\n0.354303 0.854661 0.105428 Cr\n0.145339 0.645697 0.894572 Cr\n0.249108 0.048266 0.702336 P\n0.951734 0.750892 0.297664 P\n0.544270 0.455730 0.000000 P\n0.459940 0.540060 0.500000 P\n0.036926 0.249625 0.208487 P\n0.750375 0.963074 0.791513 P\n0.712988 0.999038 0.619620 O\n0.485660 0.376737 0.455808 O\n0.076059 0.230779 0.704399 O\n0.876732 0.207140 0.219872 O\n0.408031 0.069865 0.511759 O\n0.196023 0.885641 0.731611 O\n0.930135 0.591969 0.488241 O\n0.769221 0.923941 0.295601 O\n0.567661 0.261326 0.158113 O\n0.623263 0.514340 0.544192 O\n0.265516 0.566195 0.662704 O\n0.000962 0.287012 0.380380 O\n0.983994 0.694322 0.135593 O\n0.738674 0.432339 0.841887 O\n0.384913 0.484401 0.944345 O\n0.433805 0.734484 0.337296 O\n0.230547 0.087365 0.184663 O\n0.066186 0.414132 0.017241 O\n0.792860 0.123268 0.780128 O\n0.585868 0.933814 0.982759 O\n0.114359 0.803977 0.268389 O\n0.912635 0.769453 0.815337 O\n0.515599 0.615087 0.055655 O\n0.305678 0.016006 0.864407 O\n",
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"elements": [
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],
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"formula_full": "Li6 Cr4 P6 O24",
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"spacegroup": 5
},
{
"id": "mp-4851",
"created_at": "2022-09-04T14:42:06.373004Z",
"structure_string": "Sr8 Ga16 O32\n1.0\n9.111356 0.000000 0.000000\n0.000000 8.487282 0.000000\n0.000000 0.762990 10.801264\nSr Ga O\n8 16 32\ndirect\n0.713190 0.502014 0.130602 Sr\n0.213190 0.497986 0.369398 Sr\n0.286810 0.497986 0.869398 Sr\n0.786810 0.502014 0.630602 Sr\n0.739597 0.034581 0.148849 Sr\n0.239597 0.965419 0.351151 Sr\n0.260403 0.965419 0.851151 Sr\n0.760403 0.034581 0.648849 Sr\n0.557962 0.678118 0.360807 Ga\n0.057962 0.321882 0.139193 Ga\n0.442038 0.321882 0.639193 Ga\n0.942038 0.678118 0.860807 Ga\n0.905155 0.195523 0.389071 Ga\n0.405155 0.804477 0.110929 Ga\n0.094845 0.804477 0.610929 Ga\n0.594845 0.195523 0.889071 Ga\n0.893172 0.794900 0.380459 Ga\n0.393172 0.205100 0.119541 Ga\n0.106828 0.205100 0.619541 Ga\n0.606828 0.794900 0.880459 Ga\n0.063548 0.720197 0.130308 Ga\n0.563548 0.279803 0.369692 Ga\n0.936452 0.279803 0.869692 Ga\n0.436452 0.720197 0.630308 Ga\n0.745079 0.652816 0.426051 O\n0.245079 0.347184 0.073949 O\n0.254921 0.347184 0.573949 O\n0.754921 0.652816 0.926051 O\n0.579174 0.782906 0.202234 O\n0.079174 0.217094 0.297766 O\n0.420826 0.217094 0.797766 O\n0.920826 0.782906 0.702234 O\n0.065933 0.717628 0.458739 O\n0.565933 0.282372 0.041261 O\n0.934067 0.282372 0.541261 O\n0.434067 0.717628 0.958739 O\n0.748110 0.271696 0.292060 O\n0.248110 0.728304 0.207940 O\n0.251890 0.728304 0.707940 O\n0.751890 0.271696 0.792060 O\n0.939110 0.849725 0.214324 O\n0.439110 0.150275 0.285676 O\n0.060890 0.150275 0.785676 O\n0.560890 0.849725 0.714324 O\n0.488894 0.479743 0.321387 O\n0.988894 0.520257 0.178613 O\n0.511106 0.520257 0.678613 O\n0.011106 0.479743 0.821387 O\n0.660885 0.990319 0.933871 O\n0.160885 0.009681 0.566129 O\n0.339115 0.009681 0.066129 O\n0.839115 0.990319 0.433871 O\n0.416250 0.761364 0.460673 O\n0.916250 0.238636 0.039327 O\n0.583750 0.238636 0.539327 O\n0.083750 0.761364 0.960673 O\n",
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"volume": 835.2687419022204,
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"formula_full": "Sr8 Ga16 O32",
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"formula_anonymous": "AB2C4",
"energy": -368.11120959,
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},
{
"id": "mp-754162",
"created_at": "2022-09-04T14:44:56.057264Z",
"structure_string": "Li4 Gd4 O8\n1.0\n6.215739 0.000000 0.000000\n0.000000 6.366669 0.000000\n0.000000 3.250964 5.612471\nLi Gd O\n4 4 8\ndirect\n0.158355 0.703154 0.570610 Li\n0.658355 0.296846 0.929390 Li\n0.341645 0.703154 0.070610 Li\n0.841645 0.296846 0.429390 Li\n0.867536 0.768848 0.974610 Gd\n0.632464 0.768848 0.474610 Gd\n0.367536 0.231152 0.525390 Gd\n0.132464 0.231152 0.025390 Gd\n0.178068 0.983861 0.856212 O\n0.321932 0.983861 0.356212 O\n0.894344 0.549483 0.762987 O\n0.394344 0.450517 0.737013 O\n0.605656 0.549483 0.262987 O\n0.105656 0.450517 0.237013 O\n0.678068 0.016139 0.643788 O\n0.821932 0.016139 0.143788 O\n",
"nsites": 16,
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"elements": [
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],
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"volume": 222.10541747600072,
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"formula_full": "Li4 Gd4 O8",
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{
"id": "mp-770682",
"created_at": "2022-09-04T14:45:42.718641Z",
"structure_string": "Li4 Co2 Si8 O20\n1.0\n6.907274 0.000000 0.000000\n-3.401297 6.785494 0.000000\n-2.202529 -2.921747 8.926285\nLi Co Si O\n4 2 8 20\ndirect\n0.378415 0.235111 0.021436 Li\n0.213328 0.685835 0.571867 Li\n0.786672 0.314165 0.428133 Li\n0.621585 0.764889 0.978564 Li\n0.244536 0.308050 0.428198 Co\n0.755464 0.691950 0.571802 Co\n0.243230 0.949832 0.189992 Si\n0.384089 0.634947 0.255131 Si\n0.803286 0.610369 0.235020 Si\n0.889503 0.271723 0.140950 Si\n0.110497 0.728277 0.859050 Si\n0.196714 0.389631 0.764980 Si\n0.615911 0.365053 0.744869 Si\n0.756770 0.050168 0.810008 Si\n0.232227 0.930915 0.011583 O\n0.133360 0.448003 0.134233 O\n0.405485 0.860059 0.261245 O\n0.567354 0.622842 0.174713 O\n0.979056 0.794353 0.182267 O\n0.722223 0.377396 0.122312 O\n0.431992 0.612559 0.420454 O\n0.346927 0.189238 0.271319 O\n0.081733 0.788441 0.708222 O\n0.109674 0.378302 0.592963 O\n0.890326 0.621698 0.407037 O\n0.918267 0.211559 0.291778 O\n0.653073 0.810762 0.728681 O\n0.568008 0.387441 0.579546 O\n0.277777 0.622604 0.877688 O\n0.020944 0.205647 0.817733 O\n0.432646 0.377158 0.825287 O\n0.594515 0.139941 0.738755 O\n0.866640 0.551997 0.865767 O\n0.767773 0.069085 0.988417 O\n",
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"formula_full": "Li4 Co2 Si8 O20",
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