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{
"id": "mp-849786",
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"structure_string": "Zn4 P8 H60 C16 N4 O32\n1.0\n13.938290 0.000000 0.000000\n0.000000 8.550762 0.000000\n0.000000 0.179727 10.272659\nZn P H C N O\n4 8 60 16 4 32\ndirect\n0.424857 0.782965 0.974501 Zn\n0.575143 0.782965 0.474501 Zn\n0.868569 0.281458 0.584681 Zn\n0.131431 0.281458 0.084681 Zn\n0.386088 0.754054 0.658632 P\n0.613912 0.754054 0.158632 P\n0.226183 0.592549 0.992024 P\n0.773817 0.592549 0.492024 P\n0.036711 0.250438 0.793176 P\n0.963289 0.250438 0.293176 P\n0.305369 0.092242 0.962443 P\n0.694631 0.092242 0.462443 P\n0.777919 0.909480 0.785449 H\n0.944043 0.906823 0.719365 H\n0.222081 0.909480 0.285449 H\n0.140119 0.885671 0.555945 H\n0.055957 0.906823 0.219365 H\n0.016287 0.885789 0.504585 H\n0.859881 0.885671 0.055945 H\n0.983713 0.885789 0.004585 H\n0.737785 0.781060 0.915376 H\n0.027188 0.775470 0.798966 H\n0.262215 0.781060 0.415376 H\n0.972812 0.775470 0.298966 H\n0.770445 0.703315 0.759327 H\n0.934971 0.698738 0.694145 H\n0.229555 0.703315 0.259327 H\n0.065029 0.698738 0.194145 H\n0.973775 0.609650 0.978273 H\n0.026225 0.609650 0.478273 H\n0.151317 0.607079 0.521443 H\n0.848683 0.607079 0.021443 H\n0.888164 0.527693 0.868490 H\n0.111836 0.527693 0.368490 H\n0.620641 0.521791 0.883867 H\n0.379359 0.521791 0.383867 H\n0.524529 0.420101 0.808352 H\n0.643686 0.408830 0.740432 H\n0.475471 0.420101 0.308352 H\n0.356314 0.408830 0.240432 H\n0.413018 0.393888 0.587383 H\n0.745046 0.375216 0.998205 H\n0.586982 0.393888 0.087383 H\n0.254954 0.375216 0.498205 H\n0.511278 0.288642 0.514059 H\n0.488722 0.288642 0.014059 H\n0.767219 0.260079 0.856081 H\n0.232781 0.260079 0.356081 H\n0.418232 0.183227 0.599240 H\n0.581768 0.183227 0.099240 H\n0.261265 0.166145 0.509642 H\n0.738735 0.166145 0.009642 H\n0.515536 0.137306 0.824796 H\n0.484464 0.137306 0.324796 H\n0.633927 0.125006 0.753568 H\n0.366073 0.125006 0.253568 H\n0.607327 0.029484 0.908100 H\n0.392673 0.029484 0.408100 H\n0.899686 0.014376 0.926345 H\n0.100314 0.014376 0.426345 H\n0.298363 0.949691 0.729503 H\n0.701637 0.949691 0.229503 H\n0.193080 0.837182 0.928237 H\n0.806920 0.837182 0.428237 H\n0.281078 0.578765 0.737137 H\n0.718922 0.578765 0.237137 H\n0.133467 0.451126 0.785556 H\n0.866533 0.451126 0.285556 H\n0.305123 0.335312 0.879309 H\n0.694877 0.335312 0.379309 H\n0.154023 0.076649 0.785837 H\n0.845977 0.076649 0.285837 H\n0.909062 0.899657 0.973544 C\n0.090938 0.899657 0.473544 C\n0.785435 0.793298 0.831028 C\n0.953693 0.790142 0.762994 C\n0.214565 0.793298 0.331028 C\n0.046307 0.790142 0.262994 C\n0.900223 0.617584 0.941294 C\n0.099777 0.617584 0.441294 C\n0.601408 0.416965 0.830055 C\n0.398592 0.416965 0.330055 C\n0.434916 0.286567 0.538975 C\n0.726135 0.268690 0.946631 C\n0.565084 0.286567 0.038975 C\n0.273865 0.268690 0.446631 C\n0.592598 0.130516 0.844231 C\n0.407402 0.130516 0.344231 C\n0.887050 0.775120 0.877122 N\n0.112950 0.775120 0.377122 N\n0.621291 0.275650 0.914667 N\n0.378709 0.275650 0.414667 N\n0.243966 0.996627 0.863915 O\n0.756034 0.996627 0.363915 O\n0.329810 0.916405 0.644808 O\n0.670190 0.916405 0.144808 O\n0.158547 0.741144 0.962836 O\n0.440204 0.743533 0.786658 O\n0.841453 0.741144 0.462836 O\n0.559796 0.743533 0.286658 O\n0.445717 0.737863 0.536102 O\n0.554283 0.737863 0.036102 O\n0.675973 0.645975 0.541685 O\n0.324027 0.645975 0.041685 O\n0.307160 0.619069 0.649865 O\n0.692840 0.619069 0.149865 O\n0.234381 0.497907 0.863413 O\n0.827230 0.498928 0.598329 O\n0.765619 0.497907 0.363413 O\n0.172770 0.498928 0.098329 O\n0.073706 0.415136 0.738608 O\n0.926294 0.415136 0.238608 O\n0.045132 0.240195 0.940691 O\n0.348502 0.241274 0.884721 O\n0.954868 0.240195 0.440691 O\n0.651498 0.241274 0.384721 O\n0.933776 0.229066 0.747692 O\n0.066224 0.229066 0.247692 O\n0.754698 0.147877 0.577997 O\n0.245302 0.147877 0.077997 O\n0.100406 0.118481 0.728240 O\n0.899594 0.118481 0.228240 O\n0.606825 0.000541 0.509125 O\n0.393175 0.000541 0.009125 O\n",
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"elements": [
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"P",
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"C",
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],
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"density": 1.8039732652792284,
"density_atomic": 0.10128018790539293,
"volume": 1224.3263224968532,
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"formula_full": "Zn4 P8 H60 C16 N4 O32",
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"energy": -725.70749432,
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"updated_at": "2021-11-28T01:34:57.713000Z",
"spacegroup": 7
},
{
"id": "mp-7555",
"created_at": "2022-09-04T14:40:27.603798Z",
"structure_string": "Li1 Mg1 Sn1 Pd1\n1.0\n0.000000 3.261071 3.261071\n3.261071 0.000000 3.261071\n3.261071 3.261071 0.000000\nLi Mg Sn Pd\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pd\n",
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"elements": [
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],
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"volume": 69.36026739617891,
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"formula_full": "Li1 Mg1 Sn1 Pd1",
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"spacegroup": 216
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{
"id": "mp-1039707",
"created_at": "2022-09-04T14:40:54.448214Z",
"structure_string": "Rb1 Hf1 Mg30 O31\n1.0\n8.596859 0.000000 0.000000\n0.000000 8.719984 0.000000\n0.000000 0.000000 8.766962\nRb Hf Mg O\n1 1 30 31\ndirect\n0.020367 0.000000 0.000000 Rb\n0.998797 0.000000 0.500000 Hf\n0.998494 0.500000 0.000000 Mg\n0.999806 0.500000 0.500000 Mg\n0.490571 0.000000 0.000000 Mg\n0.502124 0.000000 0.500000 Mg\n0.501998 0.500000 0.000000 Mg\n0.500157 0.500000 0.500000 Mg\n0.999575 0.259994 0.244586 Mg\n0.999575 0.259994 0.755414 Mg\n0.999575 0.740006 0.244586 Mg\n0.999575 0.740006 0.755414 Mg\n0.500407 0.250787 0.248159 Mg\n0.500407 0.250787 0.751841 Mg\n0.500407 0.749213 0.248159 Mg\n0.500407 0.749213 0.751841 Mg\n0.262079 0.000000 0.250729 Mg\n0.262079 0.000000 0.749271 Mg\n0.251097 0.500000 0.249843 Mg\n0.251097 0.500000 0.750157 Mg\n0.742073 0.000000 0.242438 Mg\n0.742073 0.000000 0.757562 Mg\n0.748745 0.500000 0.248161 Mg\n0.748745 0.500000 0.751839 Mg\n0.255775 0.260162 0.000000 Mg\n0.255630 0.257127 0.500000 Mg\n0.255775 0.739838 0.000000 Mg\n0.255630 0.742873 0.500000 Mg\n0.747519 0.252294 0.000000 Mg\n0.744161 0.256073 0.500000 Mg\n0.747519 0.747706 0.000000 Mg\n0.744161 0.743927 0.500000 Mg\n0.248227 0.000000 0.500000 O\n0.254957 0.500000 0.000000 O\n0.249460 0.500000 0.500000 O\n0.723958 0.000000 0.000000 O\n0.752154 0.000000 0.500000 O\n0.745920 0.500000 0.000000 O\n0.750477 0.500000 0.500000 O\n0.248012 0.249959 0.252432 O\n0.248012 0.249959 0.747568 O\n0.248012 0.750041 0.252432 O\n0.248012 0.750041 0.747568 O\n0.751700 0.248462 0.250798 O\n0.751700 0.248462 0.749202 O\n0.751700 0.751538 0.250798 O\n0.751700 0.751538 0.749202 O\n0.997331 0.000000 0.272434 O\n0.997331 0.000000 0.727566 O\n0.999988 0.500000 0.257433 O\n0.999988 0.500000 0.742567 O\n0.501934 0.000000 0.259831 O\n0.501934 0.000000 0.740169 O\n0.499873 0.500000 0.252263 O\n0.499873 0.500000 0.747737 O\n0.999054 0.278903 0.000000 O\n0.999973 0.246598 0.500000 O\n0.999054 0.721097 0.000000 O\n0.999973 0.753402 0.500000 O\n0.501703 0.256790 0.000000 O\n0.499943 0.249478 0.500000 O\n0.501703 0.743210 0.000000 O\n0.499943 0.750522 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:40:55.512391Z",
"structure_string": "K2 Mg2 V10 O44\n1.0\n10.562591 0.000000 0.000000\n4.264565 9.800402 0.000000\n4.674450 1.467431 9.728939\nK Mg V O\n2 2 10 44\ndirect\n0.206138 0.719414 0.076981 K\n0.793862 0.280586 0.923019 K\n0.965059 0.698432 0.690556 Mg\n0.034941 0.301568 0.309444 Mg\n0.541278 0.601630 0.221143 V\n0.458722 0.398370 0.778857 V\n0.242611 0.653823 0.458632 V\n0.757389 0.346177 0.541368 V\n0.818213 0.586704 0.271927 V\n0.181787 0.413296 0.728073 V\n0.520758 0.642473 0.511383 V\n0.479242 0.357527 0.488617 V\n0.221740 0.690351 0.752232 V\n0.778260 0.309649 0.247768 V\n0.602540 0.502073 0.640536 O\n0.397460 0.497927 0.359464 O\n0.875311 0.459287 0.424129 O\n0.124689 0.540713 0.575871 O\n0.371249 0.522327 0.599543 O\n0.628751 0.477673 0.400457 O\n0.097143 0.578629 0.808171 O\n0.902857 0.421371 0.191829 O\n0.338130 0.561750 0.848518 O\n0.661870 0.438250 0.151482 O\n0.456860 0.689853 0.111884 O\n0.543140 0.310147 0.888116 O\n0.157976 0.735259 0.348677 O\n0.842024 0.264741 0.651323 O\n0.692464 0.668917 0.174357 O\n0.307536 0.331083 0.825643 O\n0.421145 0.712440 0.379281 O\n0.578855 0.287560 0.620719 O\n0.147074 0.765468 0.597166 O\n0.852926 0.234532 0.402834 O\n0.950047 0.656616 0.198589 O\n0.049953 0.343384 0.801411 O\n0.669192 0.702568 0.414950 O\n0.330808 0.297432 0.585050 O\n0.390384 0.752805 0.628673 O\n0.609616 0.247195 0.371327 O\n0.125548 0.808991 0.852242 O\n0.874452 0.191009 0.147758 O\n0.819230 0.623144 0.653050 O\n0.180770 0.376856 0.346950 O\n0.748564 0.592323 0.785071 O\n0.251436 0.407677 0.214929 O\n0.787677 0.631843 0.864774 O\n0.212323 0.368157 0.135226 O\n0.763933 0.882818 0.665222 O\n0.236067 0.117182 0.334778 O\n0.909806 0.986248 0.753181 O\n0.090194 0.013752 0.246819 O\n0.643700 0.920535 0.777022 O\n0.356300 0.079465 0.222978 O\n0.527682 0.002530 0.755338 O\n0.472318 0.997470 0.244662 O\n0.826551 0.006083 0.870930 O\n0.173449 0.993917 0.129070 O\n",
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{
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{
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"structure_string": "V3 As2 O9\n1.0\n3.238402 4.450623 0.000000\n-3.238402 4.450623 0.000000\n0.000000 1.717126 6.308299\nV As O\n3 2 9\ndirect\n0.576876 0.576876 0.696108 V\n0.407577 0.407577 0.286915 V\n0.978955 0.978955 0.525978 V\n0.181834 0.181834 0.814187 As\n0.818140 0.818140 0.187387 As\n0.798313 0.798313 0.701917 O\n0.215072 0.215072 0.304141 O\n0.366813 0.366813 0.622629 O\n0.630070 0.630070 0.369581 O\n0.494421 0.494421 0.018421 O\n0.889821 0.271924 0.689129 O\n0.271924 0.889821 0.689129 O\n0.112307 0.728477 0.315239 O\n0.728477 0.112307 0.315239 O\n",
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{
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