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{
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"results": [
{
"id": "mp-775903",
"created_at": "2022-09-04T14:42:09.694758Z",
"structure_string": "Li8 Mn4 P8 O28\n1.0\n0.411942 -7.098473 0.263103\n-8.658641 0.256892 0.068563\n0.525587 2.997093 -9.755924\nLi Mn P O\n8 4 8 28\ndirect\n0.626493 0.851166 0.292622 Li\n0.626430 0.851205 0.792591 Li\n0.337171 0.676917 0.007916 Li\n0.337190 0.676851 0.507871 Li\n0.927121 0.399665 0.028000 Li\n0.927053 0.399538 0.528036 Li\n0.375525 0.155543 0.209798 Li\n0.375521 0.155443 0.709768 Li\n0.507196 0.494724 0.754462 Mn\n0.005110 0.004679 0.500341 Mn\n0.507476 0.494570 0.254587 Mn\n0.004874 0.004874 0.000722 Mn\n0.183667 0.797980 0.273787 P\n0.183667 0.797975 0.773889 P\n0.770623 0.690681 0.063206 P\n0.770638 0.690641 0.563284 P\n0.226740 0.317729 0.435161 P\n0.226703 0.317714 0.935171 P\n0.816227 0.204191 0.231626 P\n0.816222 0.204197 0.731626 P\n0.210937 0.945444 0.202611 O\n0.210982 0.945322 0.702519 O\n0.763887 0.841063 0.491551 O\n0.763727 0.841104 0.991579 O\n0.139749 0.820062 0.409692 O\n0.139768 0.820262 0.909762 O\n0.629199 0.686428 0.150665 O\n0.629024 0.686471 0.650573 O\n0.364008 0.702947 0.298523 O\n0.363940 0.702879 0.798643 O\n0.997318 0.680759 0.165830 O\n0.997237 0.680759 0.665944 O\n0.731256 0.544091 0.463857 O\n0.731181 0.544109 0.963815 O\n0.269606 0.462418 0.038611 O\n0.269476 0.462399 0.538600 O\n0.984897 0.321260 0.356281 O\n0.984931 0.321312 0.856262 O\n0.628784 0.286416 0.210838 O\n0.628787 0.286507 0.710739 O\n0.328811 0.327114 0.325910 O\n0.328841 0.326961 0.825919 O\n0.892095 0.201384 0.107867 O\n0.892125 0.201267 0.607881 O\n0.247459 0.167056 0.007183 O\n0.247551 0.167032 0.507144 O\n0.799098 0.046650 0.291685 O\n0.799016 0.046742 0.791760 O\n",
"nsites": 48,
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"elements": [
"Li",
"Mn",
"P",
"O"
],
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"density": 2.7265639721612955,
"density_atomic": 0.08116423217297347,
"volume": 591.3935081367445,
"volume_molar": 7.4196978136451675,
"formula_full": "Li8 Mn4 P8 O28",
"formula_reduced": "Li2MnP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -361.13787177,
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"updated_at": "2021-11-28T01:35:38.207000Z",
"spacegroup": 1
},
{
"id": "mp-1256430",
"created_at": "2022-09-04T14:42:14.880930Z",
"structure_string": "Na20 Zr11 Si10 P8 O72\n1.0\n7.957639 -0.014207 4.496648\n2.732147 7.512487 4.520292\n-0.106680 0.015706 28.174746\nNa Zr Si P O\n20 11 10 8 72\ndirect\n0.225972 0.074200 0.102936 Na\n0.134593 0.452674 0.194546 Na\n0.018523 0.472749 0.319525 Na\n0.606478 0.404627 0.089226 Na\n0.242012 0.100467 0.431550 Na\n0.336520 0.625437 0.229141 Na\n0.504383 0.045340 0.171320 Na\n0.905057 0.750905 0.079001 Na\n0.595555 0.394341 0.421824 Na\n0.242553 0.104935 0.762662 Na\n0.837396 0.860556 0.227211 Na\n0.382839 0.606431 0.587061 Na\n0.040000 0.320208 0.974963 Na\n0.511248 0.014742 0.507579 Na\n0.938425 0.734883 0.375455 Na\n0.607777 0.403040 0.741431 Na\n0.344961 0.558689 0.944340 Na\n0.519717 0.008728 0.837290 Na\n0.999281 0.523865 0.669826 Na\n0.761380 0.841656 0.942173 Na\n0.654323 0.162654 0.005634 Zr\n0.139555 0.639407 0.525988 Zr\n0.344644 0.852546 0.313802 Zr\n0.635507 0.152636 0.357161 Zr\n0.849336 0.339820 0.154438 Zr\n0.159877 0.642621 0.849205 Zr\n0.342020 0.855266 0.645804 Zr\n0.653527 0.143187 0.684603 Zr\n0.848350 0.342006 0.486229 Zr\n0.338722 0.859938 0.983458 Zr\n0.843822 0.347441 0.817233 Zr\n0.270416 0.428789 0.074800 Si\n0.038917 0.960795 0.257481 Si\n0.461565 0.227293 0.254909 Si\n0.241596 0.458099 0.421469 Si\n0.928399 0.051273 0.084458 Si\n0.048499 0.953539 0.582984 Si\n0.458048 0.247760 0.582613 Si\n0.244995 0.457957 0.746084 Si\n0.058033 0.952357 0.914212 Si\n0.492521 0.250384 0.898489 Si\n0.540440 0.759733 0.082963 P\n0.721791 0.531370 0.262770 P\n0.532580 0.744478 0.423407 P\n0.956900 0.040928 0.419867 P\n0.744068 0.535211 0.588824 P\n0.546705 0.746612 0.747142 P\n0.957377 0.041812 0.751032 P\n0.752709 0.555543 0.910295 P\n0.120570 0.014487 0.028958 O\n0.001975 0.098402 0.195614 O\n0.059884 0.442147 0.103549 O\n0.273257 0.633568 0.029252 O\n0.111977 0.006333 0.365014 O\n0.378994 0.302350 0.033149 O\n0.359896 0.346744 0.123305 O\n0.040420 0.764902 0.274361 O\n0.015597 0.113856 0.523301 O\n0.270819 0.376703 0.254581 O\n0.486801 0.027523 0.261848 O\n0.060779 0.437403 0.429894 O\n0.527868 0.752686 0.030184 O\n0.756024 0.132095 0.061919 O\n0.368135 0.766023 0.133078 O\n0.619628 0.284251 0.194080 O\n0.227500 0.957691 0.252805 O\n0.503795 0.205661 0.309567 O\n0.267732 0.629326 0.363080 O\n0.579175 0.933358 0.062392 O\n0.117100 0.989090 0.699095 O\n0.705411 0.597547 0.097679 O\n0.405605 0.265279 0.421229 O\n0.925302 0.221519 0.092065 O\n0.227578 0.502873 0.473395 O\n0.774023 0.453947 0.216169 O\n0.066771 0.764906 0.584544 O\n0.554299 0.701507 0.256887 O\n0.009744 0.123826 0.857848 O\n0.275564 0.424057 0.581542 O\n0.429594 0.070217 0.594550 O\n0.668425 0.396061 0.324481 O\n0.072473 0.419017 0.756397 O\n0.482021 0.764588 0.375337 O\n0.774647 0.062655 0.421624 O\n0.378670 0.718332 0.481566 O\n0.617159 0.286572 0.520542 O\n0.240132 0.926686 0.583339 O\n0.512679 0.229537 0.633640 O\n0.874402 0.568305 0.257253 O\n0.287691 0.616727 0.684824 O\n0.565633 0.910020 0.413131 O\n0.709869 0.583526 0.425874 O\n0.912358 0.873789 0.137046 O\n0.418275 0.268871 0.746471 O\n0.938995 0.219826 0.420374 O\n0.218730 0.518524 0.796837 O\n0.766534 0.476397 0.541711 O\n0.093986 0.768693 0.907117 O\n0.582502 0.710514 0.588217 O\n0.293599 0.408324 0.905127 O\n0.878163 0.035250 0.310631 O\n0.469592 0.055760 0.926521 O\n0.707453 0.387873 0.647918 O\n0.502588 0.760942 0.698339 O\n0.778742 0.070793 0.748431 O\n0.388100 0.718956 0.803870 O\n0.626022 0.285197 0.831406 O\n0.235814 0.938423 0.919632 O\n0.606356 0.260834 0.926843 O\n0.910808 0.564787 0.577645 O\n0.560560 0.920809 0.737914 O\n0.721179 0.587461 0.751578 O\n0.004082 0.885811 0.473151 O\n0.953886 0.216824 0.748745 O\n0.784992 0.523140 0.856599 O\n0.582094 0.717388 0.919451 O\n0.883611 0.010625 0.637818 O\n0.740077 0.389099 0.964350 O\n0.913172 0.589733 0.904397 O\n0.991664 0.891831 0.806930 O\n0.885439 0.972597 0.972271 O\n",
"nsites": 121,
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"elements": [
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"Zr",
"Si",
"P",
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],
"chemical_system": "Na-O-P-Si-Zr",
"density": 3.0914974555311696,
"density_atomic": 0.07165422301442247,
"volume": 1688.665299959296,
"volume_molar": 8.404446390811986,
"formula_full": "Na20 Zr11 Si10 P8 O72",
"formula_reduced": "Na20Zr11Si10(PO9)8",
"formula_anonymous": "A8B10C11D20E72",
"energy": -944.10351483,
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"updated_at": "2021-11-28T01:35:40.831000Z",
"spacegroup": 1
},
{
"id": "mp-698457",
"created_at": "2022-09-04T14:42:10.604821Z",
"structure_string": "Na4 Li4 H16 C8 O20\n1.0\n7.139929 0.000000 0.000000\n-0.061164 8.304758 0.000000\n-1.717253 -3.529756 9.743404\nNa Li H C O\n4 4 16 8 20\ndirect\n0.407539 0.138560 0.645076 Na\n0.592461 0.861440 0.354924 Na\n0.910063 0.146140 0.647285 Na\n0.089937 0.853860 0.352715 Na\n0.216156 0.438786 0.862885 Li\n0.783844 0.561214 0.137115 Li\n0.694099 0.867835 0.794623 Li\n0.305901 0.132165 0.205377 Li\n0.548462 0.465527 0.826887 H\n0.451538 0.534473 0.173113 H\n0.438365 0.557999 0.730016 H\n0.561635 0.442001 0.269984 H\n0.868649 0.464843 0.835792 H\n0.131351 0.535157 0.164208 H\n0.925079 0.566228 0.740470 H\n0.074921 0.433772 0.259530 H\n0.034175 0.386350 0.499458 H\n0.965825 0.613650 0.500542 H\n0.365008 0.587293 0.481077 H\n0.634992 0.412707 0.518923 H\n0.202497 0.969207 0.865862 H\n0.797503 0.030793 0.134138 H\n0.729287 0.198421 0.016920 H\n0.270713 0.801579 0.983080 H\n0.091376 0.267545 0.435475 C\n0.908624 0.732455 0.564525 C\n0.396311 0.718858 0.557432 C\n0.603689 0.281142 0.442568 C\n0.221942 0.111691 0.908807 C\n0.778058 0.888309 0.091193 C\n0.723022 0.236197 0.924813 C\n0.276978 0.763803 0.075187 C\n0.122348 0.151326 0.487757 O\n0.877652 0.848674 0.512243 O\n0.118438 0.262472 0.317856 O\n0.881562 0.737528 0.682144 O\n0.378590 0.841373 0.510985 O\n0.621410 0.158627 0.489015 O\n0.450262 0.732246 0.682265 O\n0.549738 0.267754 0.317735 O\n0.200479 0.188279 0.820503 O\n0.799521 0.811721 0.179497 O\n0.262072 0.182373 0.036816 O\n0.737928 0.817627 0.963184 O\n0.699769 0.118051 0.808616 O\n0.300231 0.881949 0.191384 O\n0.738306 0.396669 0.946248 O\n0.261694 0.603331 0.053752 O\n0.429880 0.456846 0.761565 O\n0.570120 0.543154 0.238435 O\n0.953764 0.465268 0.770270 O\n0.046236 0.534732 0.229730 O\n",
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],
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"volume": 577.738866858422,
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"formula_full": "Na4 Li4 H16 C8 O20",
"formula_reduced": "NaLiH4C2O5",
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"updated_at": "2021-11-28T01:35:42.380000Z",
"spacegroup": 2
},
{
"id": "mp-1517312",
"created_at": "2022-09-04T14:42:05.995254Z",
"structure_string": "K1 La1 Zr1 Sn1 O6\n1.0\n-0.000000 -4.142922 -4.142922\n4.142922 0.000000 -4.142922\n4.142922 -4.142922 -0.000000\nK La Zr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 -0.000000 Sn\n0.751805 0.248195 0.248195 O\n0.248195 0.751805 0.751805 O\n0.751805 0.248195 0.751805 O\n0.248195 0.751805 0.248195 O\n0.751805 0.751805 0.248195 O\n0.248195 0.248195 0.751805 O\n",
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"elements": [
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],
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"volume": 142.21659160310318,
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"formula_full": "K1 La1 Zr1 Sn1 O6",
"formula_reduced": "KLaZrSnO6",
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"energy": -77.89916027,
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"spacegroup": 216
},
{
"id": "mp-757646",
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"structure_string": "Li12 Mn4 P8 O32\n1.0\n0.009634 0.080684 6.199997\n-0.004801 8.508861 0.066644\n-10.717639 0.006139 -0.016711\nLi Mn P O\n12 4 8 32\ndirect\n0.000027 0.000308 0.000139 Li\n0.000204 0.499934 0.250229 Li\n0.999819 0.000189 0.500221 Li\n0.999909 0.500132 0.750282 Li\n0.230606 0.331337 0.500164 Li\n0.230402 0.831497 0.750048 Li\n0.230592 0.331479 0.999866 Li\n0.230395 0.831321 0.249759 Li\n0.769418 0.168504 0.250230 Li\n0.769579 0.668505 0.500124 Li\n0.769407 0.168687 0.750003 Li\n0.769660 0.668677 0.000327 Li\n0.500151 0.999999 0.000031 Mn\n0.499930 0.500093 0.250081 Mn\n0.499740 0.999925 0.499850 Mn\n0.499832 0.499927 0.749803 Mn\n0.732381 0.353416 0.500072 P\n0.732234 0.853552 0.750016 P\n0.732418 0.353550 0.000044 P\n0.732272 0.853439 0.250008 P\n0.267618 0.146458 0.249920 P\n0.267724 0.646435 0.499960 P\n0.267608 0.146552 0.749926 P\n0.267805 0.646550 0.999986 P\n0.939189 0.255579 0.499946 O\n0.939059 0.755724 0.749890 O\n0.939248 0.255735 0.999822 O\n0.939024 0.755576 0.249868 O\n0.060792 0.244233 0.250070 O\n0.060937 0.744238 0.500031 O\n0.060803 0.244383 0.750119 O\n0.061025 0.744392 0.000193 O\n0.531258 0.252566 0.500018 O\n0.531080 0.752730 0.749970 O\n0.531272 0.252716 0.000042 O\n0.531131 0.752622 0.249939 O\n0.468722 0.247247 0.249981 O\n0.468881 0.747225 0.500039 O\n0.468746 0.247407 0.749930 O\n0.468936 0.747350 0.000021 O\n0.730426 0.469493 0.617070 O\n0.730254 0.969717 0.866989 O\n0.730577 0.469559 0.117116 O\n0.730244 0.969527 0.367017 O\n0.270415 0.030233 0.367509 O\n0.270341 0.530383 0.617596 O\n0.270438 0.030453 0.867518 O\n0.270551 0.530389 0.117587 O\n0.729714 0.469433 0.382427 O\n0.729586 0.969552 0.632354 O\n0.729560 0.469682 0.882448 O\n0.729674 0.969486 0.132382 O\n0.269511 0.030504 0.132835 O\n0.269763 0.530335 0.382970 O\n0.269442 0.030539 0.632875 O\n0.269671 0.530526 0.882940 O\n",
"nsites": 56,
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"elements": [
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],
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"density": 3.1216933514501375,
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"volume": 565.3489166223243,
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"formula_full": "Li12 Mn4 P8 O32",
"formula_reduced": "Li3Mn(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -405.66224975,
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"updated_at": "2021-11-28T01:35:38.758000Z",
"spacegroup": 12
},
{
"id": "mp-1522285",
"created_at": "2022-09-04T14:42:09.630330Z",
"structure_string": "Ba1 Ca1 La1 Bi1 O6\n1.0\n-0.000000 -4.424048 -4.424048\n4.424048 0.000000 -4.424048\n4.424048 -4.424048 -0.000000\nBa Ca La Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 La\n-0.000000 -0.000000 -0.000000 Bi\n0.761319 0.238681 0.238681 O\n0.238681 0.761319 0.761319 O\n0.761319 0.238681 0.761319 O\n0.238681 0.761319 0.238681 O\n0.761319 0.761319 0.238681 O\n0.238681 0.238681 0.761319 O\n",
"nsites": 10,
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"elements": [
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"Ca",
"La",
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"O"
],
"chemical_system": "Ba-Bi-Ca-La-O",
"density": 5.957335595333197,
"density_atomic": 0.05774448512690894,
"volume": 173.17671078064558,
"volume_molar": 10.42894528674857,
"formula_full": "Ba1 Ca1 La1 Bi1 O6",
"formula_reduced": "BaCaLaBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.66335193,
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"spacegroup": 216
},
{
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}