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{
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"results": [
{
"id": "mp-1234934",
"created_at": "2022-09-04T14:46:07.634297Z",
"structure_string": "Mg1 Ta2 Te4 Br10 O1\n1.0\n7.914138 -0.455393 -0.137990\n2.190048 9.011091 0.308302\n0.395591 1.641965 9.992876\nMg Ta Te Br O\n1 2 4 10 1\ndirect\n0.489847 0.995816 0.513331 Mg\n0.449203 0.374592 0.384169 Ta\n0.535219 0.617564 0.627732 Ta\n0.941516 0.812157 0.991981 Te\n0.064883 0.197450 0.015153 Te\n0.160275 0.903062 0.153869 Te\n0.846900 0.107301 0.851590 Te\n0.410544 0.153467 0.253208 Br\n0.620349 0.484709 0.199981 Br\n0.169218 0.528761 0.288095 Br\n0.720361 0.175434 0.488233 Br\n0.691926 0.771857 0.431252 Br\n0.276892 0.225278 0.574110 Br\n0.258077 0.815035 0.538676 Br\n0.823942 0.468588 0.711317 Br\n0.381517 0.501543 0.821289 Br\n0.586871 0.835756 0.761457 Br\n0.489130 0.495912 0.507053 O\n",
"nsites": 18,
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"elements": [
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"density_atomic": 0.025050721119891917,
"volume": 718.5421894185241,
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"formula_full": "Mg1 Ta2 Te4 Br10 O1",
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},
{
"id": "mp-1040818",
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"structure_string": "La1 Mn1 Cr1 O6\n1.0\n5.372346 0.117258 -0.019672\n0.117783 5.487534 -0.032609\n-2.647123 2.565418 3.763170\nLa Mn Cr O\n1 1 1 6\ndirect\n0.748789 0.283939 0.488943 La\n0.499424 0.040218 0.981882 Mn\n0.992543 0.555678 0.972293 Cr\n0.298536 0.241820 0.497566 O\n0.224314 0.270634 0.966280 O\n0.776490 0.716264 0.059562 O\n0.227012 0.767652 0.967971 O\n0.779078 0.221702 0.054699 O\n0.714051 0.743505 0.511216 O\n",
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"elements": [
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],
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"volume": 111.05762929098782,
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"formula_full": "La1 Mn1 Cr1 O6",
"formula_reduced": "LaMnCrO6",
"formula_anonymous": "ABCD6",
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"updated_at": "2021-11-28T01:37:27.286000Z",
"spacegroup": 1
},
{
"id": "mp-1224232",
"created_at": "2022-09-04T14:46:07.784118Z",
"structure_string": "La12 Ga23 Mo1 O56\n1.0\n9.791944 0.000000 0.000000\n-0.790627 9.762830 0.000000\n-1.942113 -2.113795 12.963995\nLa Ga Mo O\n12 23 1 56\ndirect\n0.355688 0.936171 0.648275 La\n0.103561 0.684554 0.892668 La\n0.605208 0.185513 0.396047 La\n0.858385 0.425647 0.140418 La\n0.968305 0.968018 0.468392 La\n0.709488 0.710084 0.709190 La\n0.209536 0.208933 0.209863 La\n0.458616 0.459040 0.958306 La\n0.936591 0.356385 0.647140 La\n0.683661 0.103431 0.893357 La\n0.185268 0.604661 0.396120 La\n0.425575 0.858761 0.139955 La\n0.302333 0.966998 0.369185 Ga\n0.049172 0.715601 0.616364 Ga\n0.546825 0.218326 0.116790 Ga\n0.799673 0.463611 0.866538 Ga\n0.702496 0.035678 0.634167 Ga\n0.451399 0.783226 0.883280 Ga\n0.950660 0.280624 0.381230 Ga\n0.197734 0.535731 0.132223 Ga\n0.561952 0.803636 0.440438 Ga\n0.315458 0.554007 0.684443 Ga\n0.816899 0.059106 0.181486 Ga\n0.065216 0.302569 0.933110 Ga\n0.005907 0.006069 0.757408 Ga\n0.757515 0.756695 0.999612 Ga\n0.258820 0.256652 0.506093 Ga\n0.498390 0.501083 0.257370 Ga\n0.553561 0.315883 0.684165 Ga\n0.302920 0.067360 0.934412 Ga\n0.803484 0.558863 0.438874 Ga\n0.059687 0.818316 0.182555 Ga\n0.000417 0.999790 0.999665 Ga\n0.250426 0.249966 0.749927 Ga\n0.499667 0.499931 0.500182 Ga\n0.749984 0.749859 0.250428 Mo\n0.208506 0.878935 0.454003 O\n0.961229 0.627757 0.704394 O\n0.462202 0.125332 0.203934 O\n0.714380 0.380303 0.958268 O\n0.790561 0.118000 0.543312 O\n0.539783 0.871533 0.795720 O\n0.033828 0.371350 0.292301 O\n0.290266 0.626069 0.047882 O\n0.596084 0.138986 0.716101 O\n0.347279 0.889920 0.966526 O\n0.845908 0.384411 0.465442 O\n0.092195 0.640355 0.215656 O\n0.571082 0.883715 0.577263 O\n0.321030 0.632208 0.825754 O\n0.820131 0.128520 0.323337 O\n0.069201 0.382747 0.074380 O\n0.810632 0.955142 0.732480 O\n0.562907 0.707818 0.984409 O\n0.062156 0.205015 0.480818 O\n0.306594 0.456617 0.231704 O\n0.233234 0.919931 0.227236 O\n0.977555 0.668943 0.475021 O\n0.481584 0.170074 0.976140 O\n0.731595 0.418329 0.725981 O\n0.489404 0.941572 0.367087 O\n0.237066 0.695137 0.616467 O\n0.735976 0.196779 0.117482 O\n0.987947 0.445041 0.867205 O\n0.306026 0.159369 0.382547 O\n0.053636 0.909332 0.633295 O\n0.555448 0.412185 0.135542 O\n0.805755 0.657453 0.881910 O\n0.789488 0.573171 0.293610 O\n0.027654 0.809993 0.041956 O\n0.283973 0.063766 0.793268 O\n0.533436 0.313739 0.542786 O\n0.995169 0.064246 0.153419 O\n0.243009 0.319672 0.900882 O\n0.492609 0.570365 0.649984 O\n0.739915 0.822943 0.393569 O\n0.294330 0.438044 0.484322 O\n0.552467 0.685723 0.231167 O\n0.792796 0.941468 0.991529 O\n0.043887 0.186961 0.734986 O\n0.189671 0.110579 0.032555 O\n0.439349 0.361926 0.781091 O\n0.687022 0.618861 0.528791 O\n0.934904 0.852611 0.281312 O\n0.685096 0.901537 0.181202 O\n0.932211 0.153373 0.924585 O\n0.182970 0.403896 0.674244 O\n0.433643 0.650306 0.417711 O\n0.564481 0.416322 0.366571 O\n0.798392 0.665379 0.119014 O\n0.056723 0.912955 0.866683 O\n0.305151 0.162506 0.615491 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"La",
"Ga",
"Mo",
"O"
],
"chemical_system": "Ga-La-Mo-O",
"density": 5.711101827915184,
"density_atomic": 0.07423424987044701,
"volume": 1239.320127307242,
"volume_molar": 8.112348101462318,
"formula_full": "La12 Ga23 Mo1 O56",
"formula_reduced": "La12Ga23MoO56",
"formula_anonymous": "AB12C23D56",
"energy": -674.6970656999999,
"energy_per_atom": -7.333663757608695,
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"updated_at": "2021-11-28T01:37:22.746000Z",
"spacegroup": 1
},
{
"id": "mp-1236508",
"created_at": "2022-09-04T14:46:07.818994Z",
"structure_string": "Li1 Fe8 O14 F2\n1.0\n-4.710819 4.747745 -2.957555\n4.721402 4.748017 -2.973591\n0.004996 -4.755139 -2.975084\nLi Fe O F\n1 8 14 2\ndirect\n0.947987 0.949733 0.385847 Li\n0.728012 0.256008 0.499157 Fe\n0.509697 0.995638 0.983680 Fe\n0.241900 0.256895 0.520030 Fe\n0.743165 0.753050 0.491750 Fe\n0.500833 0.496712 0.002243 Fe\n0.990076 0.011989 0.978845 Fe\n0.262867 0.738860 0.501688 Fe\n0.010848 0.496747 0.022696 Fe\n0.976147 0.177942 0.335544 O\n0.922559 0.232015 0.830449 O\n0.570719 0.263786 0.147581 O\n0.318789 0.012067 0.649034 O\n0.517112 0.328733 0.663918 O\n0.768901 0.573921 0.158793 O\n0.728213 0.916945 0.828325 O\n0.235011 0.427334 0.868018 O\n0.487607 0.665287 0.344786 O\n0.673185 0.976779 0.328018 O\n0.181782 0.481556 0.368137 O\n0.425204 0.732845 0.845042 O\n0.084228 0.771404 0.170547 O\n0.010607 0.823434 0.643333 O\n0.827379 0.526390 0.660741 F\n0.272353 0.078374 0.152749 F\n",
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"elements": [
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"F"
],
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"density_atomic": 0.09389916393193153,
"volume": 266.2430521545725,
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"formula_full": "Li1 Fe8 O14 F2",
"formula_reduced": "LiFe8(O7F)2",
"formula_anonymous": "AB2C8D14",
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{
"id": "mp-770368",
"created_at": "2022-09-04T14:46:07.986038Z",
"structure_string": "Li6 V6 B4 O20\n1.0\n3.033963 0.000000 0.000000\n0.067326 9.262347 0.000000\n0.017942 0.032533 12.263482\nLi V B O\n6 6 4 20\ndirect\n0.000599 0.023777 0.994577 Li\n0.499233 0.988285 0.509688 Li\n0.499921 0.232950 0.098833 Li\n0.000465 0.498145 0.504315 Li\n0.499549 0.490477 0.000596 Li\n0.001771 0.990478 0.712055 Li\n0.000258 0.009883 0.281868 V\n0.515029 0.247340 0.615329 V\n0.997414 0.498141 0.784664 V\n0.999306 0.491434 0.211327 V\n0.499173 0.736241 0.392660 V\n0.477191 0.766360 0.889634 V\n0.499416 0.224209 0.857796 B\n0.498232 0.280023 0.365898 B\n0.500691 0.731060 0.635926 B\n0.502379 0.774697 0.139031 B\n0.999931 0.090967 0.158166 O\n0.992001 0.133833 0.573651 O\n0.498406 0.127179 0.350944 O\n0.496427 0.155882 0.756769 O\n0.500648 0.153463 0.952401 O\n0.497019 0.342712 0.464318 O\n0.500545 0.365568 0.270922 O\n0.497317 0.380870 0.853592 O\n0.000596 0.396698 0.089463 O\n0.004386 0.385377 0.651452 O\n0.999394 0.607687 0.342116 O\n0.989235 0.622465 0.920611 O\n0.498221 0.624142 0.151666 O\n0.496591 0.647054 0.738317 O\n0.498064 0.648236 0.540765 O\n0.512725 0.840638 0.041408 O\n0.501369 0.857131 0.237649 O\n0.504753 0.873807 0.642164 O\n0.000288 0.883957 0.413421 O\n0.021457 0.878833 0.856009 O\n",
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{
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"structure_string": "Hf16 N16 O8\n1.0\n8.718059 0.000000 0.000000\n-2.901713 8.231282 0.000000\n-2.882851 -4.113167 7.140942\nHf N O\n16 16 8\ndirect\n0.986996 0.497624 0.989223 Hf\n0.535222 0.749407 0.292017 Hf\n0.250277 0.217094 0.963054 Hf\n0.247244 0.720170 0.471673 Hf\n0.955863 0.251914 0.214039 Hf\n0.719170 0.462985 0.256376 Hf\n0.216138 0.967889 0.259161 Hf\n0.510474 0.502162 0.499592 Hf\n0.006203 0.008664 0.520122 Hf\n0.283999 0.534160 0.749226 Hf\n0.506886 0.997862 0.997003 Hf\n0.775334 0.026793 0.740771 Hf\n0.034056 0.744996 0.782200 Hf\n0.751665 0.780124 0.024284 Hf\n0.751508 0.283266 0.536900 Hf\n0.464600 0.251010 0.704814 Hf\n0.961848 0.733792 0.995261 N\n0.969399 0.512875 0.239865 N\n0.525597 0.770108 0.541225 N\n0.266450 0.772805 0.730809 N\n0.455752 0.465620 0.223877 N\n0.034924 0.486280 0.763540 N\n0.232892 0.961925 0.503489 N\n0.463074 0.227254 0.450936 N\n0.775444 0.549610 0.533407 N\n0.990999 0.958194 0.732912 N\n0.544240 0.537946 0.772869 N\n0.730875 0.988411 0.958614 N\n0.734898 0.226061 0.268020 N\n0.229324 0.272707 0.742854 N\n0.726326 0.262236 0.779150 N\n0.760291 0.030000 0.483830 N\n0.278147 0.742782 0.221785 O\n0.486158 0.763854 0.038005 O\n0.049379 0.275837 0.014853 O\n0.769281 0.727278 0.252377 O\n0.016343 0.052468 0.276951 O\n0.278434 0.013815 0.047998 O\n0.219831 0.444369 0.465406 O\n0.504455 0.227657 0.961511 O\n",
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{
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{
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{
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{
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{
"id": "mp-1177066",
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"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n9.823127 0.000000 0.000000\n0.473789 9.832562 0.000000\n0.523979 0.426036 9.869827\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.001996 0.047184 0.984622 Li\n0.052181 0.734896 0.145017 Li\n0.133583 0.068726 0.733140 Li\n0.225918 0.550890 0.646705 Li\n0.274362 0.850501 0.951969 Li\n0.366051 0.768866 0.432168 Li\n0.443679 0.359343 0.760703 Li\n0.495253 0.515810 0.452305 Li\n0.643572 0.234034 0.543406 Li\n0.772091 0.468470 0.344435 Li\n0.730406 0.147865 0.038211 Li\n0.853718 0.950534 0.267379 Li\n0.251609 0.471022 0.030516 Mn\n0.971126 0.754139 0.531328 Mn\n0.031939 0.257207 0.476113 V\n0.249484 0.250067 0.251110 V\n0.468112 0.023788 0.242573 V\n0.534157 0.963139 0.748393 V\n0.750267 0.529223 0.971580 V\n0.752575 0.746117 0.751247 V\n0.054281 0.668833 0.858054 P\n0.144290 0.952670 0.331828 P\n0.173474 0.552507 0.358679 P\n0.326669 0.141332 0.950433 P\n0.355169 0.167672 0.545966 P\n0.447729 0.646176 0.829438 P\n0.547243 0.346606 0.174154 P\n0.645221 0.822020 0.450203 P\n0.675278 0.851393 0.046657 P\n0.828722 0.453244 0.648850 P\n0.852387 0.046610 0.673986 P\n0.951970 0.325746 0.155554 P\n0.032127 0.615773 0.409266 O\n0.052893 0.907839 0.223672 O\n0.113280 0.333606 0.122910 O\n0.120427 0.112823 0.337379 O\n0.093628 0.692047 0.706429 O\n0.106166 0.886936 0.473850 O\n0.095675 0.778134 0.951185 O\n0.120751 0.526175 0.900260 O\n0.170872 0.391579 0.381559 O\n0.188642 0.592667 0.207117 O\n0.199426 0.193765 0.582676 O\n0.209109 0.056248 0.909693 O\n0.327511 0.119005 0.111113 O\n0.287311 0.593648 0.447368 O\n0.298983 0.915033 0.304756 O\n0.316505 0.293967 0.909218 O\n0.379086 0.164230 0.385422 O\n0.385879 0.379781 0.167220 O\n0.395268 0.028149 0.611176 O\n0.377105 0.610963 0.970900 O\n0.402292 0.554061 0.721444 O\n0.443951 0.280848 0.588835 O\n0.411985 0.800883 0.802050 O\n0.465620 0.082505 0.891530 O\n0.530468 0.890249 0.107583 O\n0.576991 0.189095 0.178173 O\n0.592853 0.411927 0.299492 O\n0.558037 0.705147 0.416872 O\n0.613708 0.397870 0.037955 O\n0.594053 0.960469 0.385727 O\n0.606762 0.622371 0.837463 O\n0.625322 0.831137 0.612452 O\n0.694891 0.081881 0.687356 O\n0.709477 0.699296 0.077156 O\n0.721030 0.408272 0.555674 O\n0.674182 0.877912 0.885527 O\n0.780675 0.947974 0.091348 O\n0.797032 0.424707 0.800850 O\n0.798718 0.806892 0.408395 O\n0.833982 0.615226 0.619263 O\n0.881774 0.462618 0.110001 O\n0.906876 0.201502 0.087831 O\n0.899905 0.115735 0.537730 O\n0.922958 0.318639 0.312872 O\n0.879692 0.884691 0.662034 O\n0.934753 0.082188 0.792267 O\n0.893787 0.661022 0.877506 O\n0.973071 0.392627 0.607983 O\n",
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},
{
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]
}