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{
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"results": [
{
"id": "mp-745173",
"created_at": "2022-09-04T14:47:14.896192Z",
"structure_string": "Na3 Cd4 P6 H10 Cl3 O24\n1.0\n9.322484 0.000000 0.000000\n4.106354 8.468955 0.000000\n2.263791 3.996501 9.391788\nNa Cd P H Cl O\n3 4 6 10 3 24\ndirect\n0.980383 0.791190 0.795373 Na\n0.949975 0.798827 0.406451 Na\n0.960168 0.222169 0.504232 Na\n0.251485 0.001996 0.099680 Cd\n0.767719 0.510124 0.740710 Cd\n0.751044 0.286016 0.153283 Cd\n0.301229 0.979832 0.757907 Cd\n0.623173 0.006603 0.177142 P\n0.819786 0.747111 0.141964 P\n0.292630 0.748030 0.621758 P\n0.403583 0.630581 0.166158 P\n0.272152 0.486163 0.147032 P\n0.627846 0.052212 0.590866 P\n0.795263 0.563862 0.960456 H\n0.567666 0.981761 0.443481 H\n0.754814 0.629609 0.246366 H\n0.662264 0.485345 0.551247 H\n0.376658 0.623820 0.843389 H\n0.156352 0.334512 0.879524 H\n0.384920 0.716721 0.420593 H\n0.452541 0.263409 0.653729 H\n0.386990 0.313279 0.204609 H\n0.283001 0.340525 0.950780 H\n0.139429 0.420111 0.591422 Cl\n0.056737 0.061909 0.914401 Cl\n0.020818 0.108745 0.271059 Cl\n0.819614 0.751912 0.645788 O\n0.728690 0.141258 0.487808 O\n0.826105 0.743585 0.999550 O\n0.672360 0.949016 0.327137 O\n0.942856 0.767432 0.196139 O\n0.405362 0.771228 0.015428 O\n0.721681 0.873614 0.717577 O\n0.167143 0.239691 0.584885 O\n0.425836 0.717133 0.502237 O\n0.421663 0.680396 0.746507 O\n0.152157 0.723406 0.556061 O\n0.821698 0.456109 0.950490 O\n0.188639 0.928745 0.618818 O\n0.263375 0.535556 0.986890 O\n0.564649 0.483672 0.222029 O\n0.317465 0.719332 0.272300 O\n0.126871 0.483049 0.244108 O\n0.213328 0.606304 0.709856 O\n0.659832 0.158805 0.066134 O\n0.766173 0.415098 0.594737 O\n0.512933 0.017646 0.528909 O\n0.508138 0.138468 0.696376 O\n0.257453 0.262398 0.928212 O\n0.477352 0.986505 0.162210 O\n",
"nsites": 50,
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"elements": [
"Na",
"Cd",
"P",
"H",
"Cl",
"O"
],
"chemical_system": "Cd-Cl-H-Na-O-P",
"density": 2.698255661934944,
"density_atomic": 0.0674311011418516,
"volume": 741.4976050119275,
"volume_molar": 8.93080590116942,
"formula_full": "Na3 Cd4 P6 H10 Cl3 O24",
"formula_reduced": "Na3Cd4P6H10(ClO8)3",
"formula_anonymous": "A3B3C4D6E10F24",
"energy": -278.15395546,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.476000Z",
"spacegroup": 1
},
{
"id": "mp-721252",
"created_at": "2022-09-04T14:47:11.571741Z",
"structure_string": "Li20 Sn2 P4 Se24\n1.0\n9.083082 0.000000 0.000000\n-0.028975 9.434174 0.000000\n-0.172192 -0.496377 13.786363\nLi Sn P Se\n20 2 4 24\ndirect\n0.989034 0.516293 0.952324 Li\n0.964641 0.517464 0.427549 Li\n0.509518 0.964718 0.544748 Li\n0.497035 0.993522 0.051633 Li\n0.259446 0.289120 0.158527 Li\n0.742605 0.748261 0.283448 Li\n0.215205 0.816469 0.754646 Li\n0.233256 0.758423 0.252943 Li\n0.752156 0.217037 0.351338 Li\n0.461768 0.512625 0.751324 Li\n0.230988 0.224923 0.365574 Li\n0.736050 0.259099 0.857274 Li\n0.247853 0.759530 0.006452 Li\n0.740346 0.261779 0.132046 Li\n0.764889 0.724640 0.688292 Li\n0.221792 0.261837 0.919959 Li\n0.745703 0.759551 0.008935 Li\n0.242203 0.720647 0.484309 Li\n0.785225 0.215527 0.624935 Li\n0.240263 0.212908 0.648740 Li\n0.995923 0.489643 0.183354 Sn\n0.510511 0.990892 0.816057 Sn\n0.992465 0.966076 0.501774 P\n0.492346 0.515315 0.992747 P\n0.008793 0.481613 0.683815 P\n0.487816 0.010357 0.310943 P\n0.988084 0.181772 0.443621 Se\n0.005699 0.790128 0.387027 Se\n0.290170 0.533933 0.898523 Se\n0.689375 0.534314 0.897062 Se\n0.496426 0.698356 0.100465 Se\n0.485663 0.305524 0.059667 Se\n0.201439 0.945393 0.590028 Se\n0.796330 0.946043 0.592844 Se\n0.006012 0.281495 0.058399 Se\n0.000852 0.726190 0.098483 Se\n0.217097 0.485017 0.599124 Se\n0.810789 0.491606 0.587099 Se\n0.486253 0.796666 0.375260 Se\n0.495897 0.182128 0.426231 Se\n0.267940 0.988947 0.910538 Se\n0.731523 0.003364 0.930000 Se\n0.991327 0.664567 0.791153 Se\n0.003743 0.275886 0.760368 Se\n0.762101 0.465757 0.280333 Se\n0.216824 0.478923 0.299177 Se\n0.519434 0.216175 0.715450 Se\n0.488688 0.781513 0.692198 Se\n0.690273 0.013853 0.219494 Se\n0.287628 0.031285 0.216963 Se\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Li",
"Sn",
"P",
"Se"
],
"chemical_system": "Li-P-Se-Sn",
"density": 3.3666620993457568,
"density_atomic": 0.04232365621367246,
"volume": 1181.3724161157827,
"volume_molar": 14.228781959661074,
"formula_full": "Li20 Sn2 P4 Se24",
"formula_reduced": "Li10Sn(PSe6)2",
"formula_anonymous": "AB2C10D12",
"energy": -204.66962752,
"energy_per_atom": -4.0933925504,
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"energy_uncorrected": -193.34162752,
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"total_magnetization": 4.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.204000Z",
"spacegroup": 1
},
{
"id": "mp-1176348",
"created_at": "2022-09-04T14:47:17.366424Z",
"structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n8.440333 0.000000 0.000000\n-1.926592 -8.217249 0.000000\n-0.113013 0.020667 -9.018668\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.757792 0.492746 0.079147 Na\n0.243738 0.978837 0.083559 Na\n0.877217 0.861342 0.264310 Na\n0.611170 0.117758 0.266912 Na\n0.380109 0.384357 0.260039 Na\n0.388830 0.882242 0.733088 Na\n0.619891 0.615643 0.739961 Na\n0.122783 0.138658 0.735690 Na\n0.242208 0.507254 0.920853 Na\n0.756262 0.021163 0.916441 Na\n0.982529 0.239926 0.355938 Fe\n0.478094 0.733250 0.342038 Fe\n0.017471 0.760074 0.644062 Fe\n0.521906 0.266750 0.657962 Fe\n0.772002 0.522182 0.420136 P\n0.268014 0.023517 0.417951 P\n0.731986 0.976483 0.582049 P\n0.227998 0.477818 0.579864 P\n0.516582 0.760853 0.052473 C\n0.010650 0.251865 0.073621 C\n0.989350 0.748135 0.926379 C\n0.483418 0.239147 0.947527 C\n0.971536 0.743340 0.066249 O\n0.472823 0.226028 0.090154 O\n0.409900 0.643922 0.113219 O\n0.890229 0.148065 0.137035 O\n0.612391 0.866846 0.138462 O\n0.108574 0.350058 0.164345 O\n0.832477 0.390470 0.327859 O\n0.332284 0.903249 0.319092 O\n0.655175 0.585344 0.312200 O\n0.129715 0.076645 0.326812 O\n0.305875 0.546289 0.435179 O\n0.802746 0.055494 0.432450 O\n0.918038 0.670531 0.457044 O\n0.407838 0.173660 0.451935 O\n0.592162 0.826340 0.548065 O\n0.081962 0.329469 0.542956 O\n0.197254 0.944506 0.567550 O\n0.694125 0.453711 0.564821 O\n0.870285 0.923355 0.673188 O\n0.167523 0.609530 0.672141 O\n0.344825 0.414656 0.687800 O\n0.667716 0.096751 0.680908 O\n0.891426 0.649942 0.835655 O\n0.387609 0.133154 0.861538 O\n0.590100 0.356078 0.886781 O\n0.109771 0.851935 0.862965 O\n0.527177 0.773972 0.909846 O\n0.028464 0.256660 0.933751 O\n",
"nsites": 50,
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"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 2.8490549367531104,
"density_atomic": 0.07993584606351488,
"volume": 625.5016048778834,
"volume_molar": 7.533717420361034,
"formula_full": "Na10 Fe4 P4 C4 O28",
"formula_reduced": "Na5Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D5E14",
"energy": -357.22042536,
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"energy_uncorrected": -328.96042536,
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"updated_at": "2021-11-28T01:38:06.153000Z",
"spacegroup": 2
},
{
"id": "mp-850229",
"created_at": "2022-09-04T14:47:17.965259Z",
"structure_string": "Li2 V4 P8 H4 O32\n1.0\n7.733547 0.000000 0.000000\n-0.008391 7.888806 0.000000\n-3.803079 -0.011985 8.974038\nLi V P H O\n2 4 8 4 32\ndirect\n0.849752 0.868947 0.726654 Li\n0.352787 0.632084 0.221867 Li\n0.005100 0.493531 0.754027 V\n0.485431 0.003998 0.745963 V\n0.991618 0.496368 0.248873 V\n0.500008 0.007474 0.251924 V\n0.232149 0.845850 0.931220 P\n0.731693 0.649103 0.928946 P\n0.271289 0.357052 0.568299 P\n0.225486 0.854847 0.426661 P\n0.762065 0.155624 0.568834 P\n0.737491 0.657525 0.432506 P\n0.267275 0.348116 0.069672 P\n0.765288 0.147920 0.068148 P\n0.506357 0.509632 0.991605 H\n0.510209 0.500971 0.494633 H\n0.987592 0.005452 0.510521 H\n0.993654 0.011437 0.011668 H\n0.054137 0.944249 0.904177 O\n0.136310 0.327570 0.903145 O\n0.185941 0.670911 0.857408 O\n0.353547 0.944367 0.857221 O\n0.551007 0.552754 0.905215 O\n0.638286 0.163361 0.900291 O\n0.683879 0.826587 0.853996 O\n0.850159 0.556877 0.855763 O\n0.156684 0.442614 0.647313 O\n0.324439 0.173472 0.639420 O\n0.358942 0.841092 0.598570 O\n0.450420 0.448243 0.588454 O\n0.653721 0.051649 0.647877 O\n0.816270 0.330668 0.639677 O\n0.049839 0.948485 0.409688 O\n0.136862 0.337489 0.400536 O\n0.860213 0.675146 0.600203 O\n0.939363 0.047575 0.597084 O\n0.184240 0.674093 0.353875 O\n0.347977 0.944286 0.354493 O\n0.555791 0.557755 0.404486 O\n0.635911 0.174410 0.402502 O\n0.683577 0.829391 0.356200 O\n0.855261 0.556962 0.358984 O\n0.151440 0.448321 0.147819 O\n0.314690 0.171287 0.138954 O\n0.359586 0.827984 0.098597 O\n0.439191 0.456310 0.095786 O\n0.652731 0.058930 0.146665 O\n0.821405 0.329096 0.139777 O\n0.858432 0.662478 0.099718 O\n0.948363 0.053413 0.095921 O\n",
"nsites": 50,
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"elements": [
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"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.976731461039569,
"density_atomic": 0.09132550760298074,
"volume": 547.492166343766,
"volume_molar": 6.594149781438988,
"formula_full": "Li2 V4 P8 H4 O32",
"formula_reduced": "LiV2P4(HO8)2",
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"energy": -375.25554442,
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"updated_at": "2021-11-28T01:38:00.682000Z",
"spacegroup": 1
},
{
"id": "mp-760015",
"created_at": "2022-09-04T14:47:17.867047Z",
"structure_string": "Li12 Cu10 F28\n1.0\n5.450228 -5.665163 0.000000\n5.450228 5.665163 0.000000\n0.000000 0.000000 9.867618\nLi Cu F\n12 10 28\ndirect\n0.989497 0.989497 0.039412 Li\n0.823713 0.333842 0.528633 Li\n0.794627 0.499925 0.987861 Li\n0.683768 0.683768 0.550990 Li\n0.666158 0.176287 0.028633 Li\n0.500075 0.205373 0.487861 Li\n0.499925 0.794627 0.987861 Li\n0.333842 0.823713 0.528633 Li\n0.316232 0.316232 0.050990 Li\n0.205373 0.500075 0.487861 Li\n0.176287 0.666158 0.028633 Li\n0.010503 0.010503 0.539412 Li\n0.985283 0.627158 0.288276 Cu\n0.956776 0.243707 0.252689 Cu\n0.756293 0.043224 0.752689 Cu\n0.627158 0.985283 0.288276 Cu\n0.511419 0.511419 0.261511 Cu\n0.488581 0.488581 0.761511 Cu\n0.372842 0.014717 0.788276 Cu\n0.243707 0.956776 0.252689 Cu\n0.043224 0.756293 0.752689 Cu\n0.014717 0.372842 0.788276 Cu\n0.993886 0.420453 0.409797 F\n0.951665 0.200918 0.648381 F\n0.938282 0.938282 0.859586 F\n0.867056 0.453497 0.168457 F\n0.850110 0.850110 0.608606 F\n0.831571 0.278238 0.910758 F\n0.799082 0.048335 0.148381 F\n0.721762 0.168429 0.410758 F\n0.709780 0.474117 0.640772 F\n0.675257 0.675257 0.350874 F\n0.579547 0.006114 0.909797 F\n0.592519 0.592519 0.933654 F\n0.546503 0.132944 0.668457 F\n0.525883 0.290220 0.140772 F\n0.474117 0.709780 0.640772 F\n0.453497 0.867056 0.168457 F\n0.407481 0.407481 0.433654 F\n0.420453 0.993886 0.409797 F\n0.324743 0.324743 0.850874 F\n0.290220 0.525883 0.140772 F\n0.278238 0.831571 0.910758 F\n0.200918 0.951665 0.648381 F\n0.168429 0.721762 0.410758 F\n0.149890 0.149890 0.108606 F\n0.132944 0.546503 0.668457 F\n0.061718 0.061718 0.359586 F\n0.048335 0.799082 0.148381 F\n0.006114 0.579547 0.909797 F\n",
"nsites": 50,
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"elements": [
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"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.408280844965153,
"density_atomic": 0.08205415917760131,
"volume": 609.3536330288632,
"volume_molar": 7.3392267014343995,
"formula_full": "Li12 Cu10 F28",
"formula_reduced": "Li6Cu5F14",
"formula_anonymous": "A5B6C14",
"energy": -233.87997592,
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"updated_at": "2021-11-28T01:38:03.927000Z",
"spacegroup": 36
},
{
"id": "mp-768787",
"created_at": "2022-09-04T14:47:15.014568Z",
"structure_string": "Li10 Mn4 P4 C4 O28\n1.0\n6.446651 0.000000 0.000000\n0.000000 9.553073 0.000000\n0.000000 4.733181 8.997154\nLi Mn P C O\n10 4 4 4 28\ndirect\n0.250000 0.089681 0.078199 Li\n0.018772 0.261279 0.736233 Li\n0.481228 0.261279 0.736233 Li\n0.480345 0.255248 0.254135 Li\n0.019655 0.255248 0.254135 Li\n0.980345 0.744752 0.745865 Li\n0.519655 0.744752 0.745865 Li\n0.981228 0.738721 0.263767 Li\n0.518772 0.738721 0.263767 Li\n0.750000 0.910319 0.921801 Li\n0.750000 0.335843 0.938190 Mn\n0.750000 0.340448 0.438287 Mn\n0.250000 0.659552 0.561713 Mn\n0.250000 0.664157 0.061810 Mn\n0.250000 0.414987 0.934433 P\n0.250000 0.419722 0.426300 P\n0.750000 0.580278 0.573700 P\n0.750000 0.585013 0.065567 P\n0.750000 0.045881 0.630710 C\n0.750000 0.033642 0.126430 C\n0.250000 0.966358 0.873570 C\n0.250000 0.954119 0.369290 C\n0.750000 0.072267 0.985472 O\n0.750000 0.097770 0.488571 O\n0.250000 0.109745 0.772654 O\n0.750000 0.150132 0.680267 O\n0.250000 0.103456 0.274732 O\n0.750000 0.152386 0.159108 O\n0.063943 0.312207 0.931188 O\n0.436057 0.312207 0.931188 O\n0.059033 0.325398 0.420947 O\n0.440967 0.325398 0.420947 O\n0.750000 0.410504 0.706809 O\n0.250000 0.436505 0.572885 O\n0.750000 0.416549 0.197846 O\n0.250000 0.427721 0.081820 O\n0.750000 0.572279 0.918180 O\n0.250000 0.583451 0.802154 O\n0.750000 0.563495 0.427115 O\n0.250000 0.589496 0.293191 O\n0.940967 0.674602 0.579053 O\n0.559033 0.674602 0.579053 O\n0.563943 0.687793 0.068812 O\n0.936057 0.687793 0.068812 O\n0.250000 0.847614 0.840892 O\n0.750000 0.896544 0.725268 O\n0.250000 0.849868 0.319733 O\n0.750000 0.890255 0.227346 O\n0.250000 0.902230 0.511429 O\n0.250000 0.927733 0.014528 O\n",
"nsites": 50,
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"elements": [
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"density": 2.724396619089511,
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"volume": 554.0926766343331,
"volume_molar": 6.673648185554234,
"formula_full": "Li10 Mn4 P4 C4 O28",
"formula_reduced": "Li5Mn2P2(CO7)2",
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"energy": -371.42393232,
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"spacegroup": 11
},
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