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{
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"results": [
{
"id": "mp-759036",
"created_at": "2022-09-04T14:39:59.965178Z",
"structure_string": "Li2 Mn10 P6 O26\n1.0\n4.655829 -8.064133 0.000000\n4.655829 8.064133 0.000000\n0.000000 0.000000 6.543918\nLi Mn P O\n2 10 6 26\ndirect\n0.000000 0.000000 0.525970 Li\n0.000000 0.000000 0.025970 Li\n0.252912 0.014680 0.271731 Mn\n0.985320 0.238232 0.271731 Mn\n0.333333 0.666667 0.015899 Mn\n0.333333 0.666667 0.505996 Mn\n0.238232 0.252912 0.771731 Mn\n0.761768 0.747088 0.271731 Mn\n0.666667 0.333333 0.005996 Mn\n0.666667 0.333333 0.515899 Mn\n0.014680 0.761768 0.771731 Mn\n0.747088 0.985320 0.771731 Mn\n0.026181 0.398099 0.768042 P\n0.371918 0.973819 0.768042 P\n0.398099 0.371918 0.268042 P\n0.601901 0.628082 0.768042 P\n0.628082 0.026181 0.268042 P\n0.973819 0.601901 0.268042 P\n0.250880 0.925281 0.582902 O\n0.262622 0.919290 0.963823 O\n0.160508 0.658580 0.266225 O\n0.132373 0.592714 0.757195 O\n0.080710 0.343332 0.963823 O\n0.074719 0.325600 0.582902 O\n0.000000 0.000000 0.276171 O\n0.000000 0.000000 0.776171 O\n0.460340 0.867627 0.757195 O\n0.341420 0.501928 0.266225 O\n0.498072 0.839492 0.266225 O\n0.407286 0.539660 0.757195 O\n0.325600 0.250880 0.082902 O\n0.343332 0.262622 0.463823 O\n0.656668 0.737378 0.963823 O\n0.674400 0.749120 0.582902 O\n0.592714 0.460340 0.257195 O\n0.501928 0.160508 0.766225 O\n0.658580 0.498072 0.766225 O\n0.539660 0.132373 0.257195 O\n0.925281 0.674400 0.082902 O\n0.919290 0.656668 0.463823 O\n0.867627 0.407286 0.257195 O\n0.839492 0.341420 0.766225 O\n0.749120 0.074719 0.082902 O\n0.737378 0.080710 0.463823 O\n",
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"formula_full": "Li2 Mn10 P6 O26",
"formula_reduced": "LiMn5P3O13",
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"updated_at": "2021-11-28T01:34:44.031000Z",
"spacegroup": 173
},
{
"id": "mp-1222810",
"created_at": "2022-09-04T14:40:15.381857Z",
"structure_string": "Li4 In2 P4 H2 O16\n1.0\n8.367902 0.000000 0.000000\n0.000000 4.892623 0.000000\n0.000000 1.801700 7.637773\nLi In P H O\n4 2 4 2 16\ndirect\n0.133232 0.635082 0.905919 Li\n0.365362 0.142913 0.411527 Li\n0.865362 0.857087 0.588473 Li\n0.633232 0.364918 0.094081 Li\n0.500200 0.750248 0.744684 In\n0.000200 0.249752 0.255316 In\n0.345645 0.115511 0.017437 P\n0.150969 0.609777 0.525373 P\n0.650969 0.390223 0.474627 P\n0.845645 0.884489 0.982563 P\n0.486275 0.795881 0.236088 H\n0.986275 0.204119 0.763912 H\n0.186627 0.246176 0.057283 O\n0.312657 0.746782 0.555953 O\n0.812657 0.253218 0.444047 O\n0.686627 0.753824 0.942717 O\n0.428815 0.991526 0.202218 O\n0.069630 0.481680 0.702159 O\n0.569630 0.518320 0.297841 O\n0.928815 0.008474 0.797782 O\n0.320350 0.883899 0.915689 O\n0.181036 0.388495 0.413891 O\n0.681036 0.611505 0.586109 O\n0.820350 0.116101 0.084311 O\n0.463355 0.340540 0.920220 O\n0.036848 0.838375 0.420301 O\n0.536849 0.161625 0.579699 O\n0.963355 0.659460 0.079780 O\n",
"nsites": 28,
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"elements": [
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"In",
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"H",
"O"
],
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"density_atomic": 0.08954326928493918,
"volume": 312.69798638801194,
"volume_molar": 6.725397462132757,
"formula_full": "Li4 In2 P4 H2 O16",
"formula_reduced": "Li2InP2HO8",
"formula_anonymous": "ABC2D2E8",
"energy": -190.31195863,
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"spacegroup": 4
},
{
"id": "mp-1202137",
"created_at": "2022-09-04T14:41:36.275446Z",
"structure_string": "Ca4 Cu2 As4 H8 O20\n1.0\n12.855151 0.000000 0.000000\n0.000000 5.881209 0.000000\n0.000000 2.175894 5.613108\nCa Cu As H O\n4 2 4 8 20\ndirect\n0.622110 0.280496 0.564375 Ca\n0.122110 0.219504 0.435625 Ca\n0.377890 0.719504 0.435625 Ca\n0.877890 0.780496 0.564375 Ca\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.622323 0.953199 0.228088 As\n0.122323 0.546801 0.771912 As\n0.377677 0.046801 0.771912 As\n0.877677 0.453199 0.228088 As\n0.642466 0.701861 0.702353 H\n0.142466 0.798139 0.297647 H\n0.357534 0.298139 0.297647 H\n0.857534 0.201861 0.702353 H\n0.706216 0.509295 0.910472 H\n0.206216 0.990705 0.089528 H\n0.293784 0.490705 0.089528 H\n0.793784 0.009295 0.910472 H\n0.538063 0.183366 0.238840 O\n0.038063 0.316634 0.761160 O\n0.461937 0.816634 0.761160 O\n0.961937 0.683366 0.238840 O\n0.553219 0.685926 0.309068 O\n0.053219 0.814074 0.690932 O\n0.446781 0.314074 0.690932 O\n0.946781 0.185926 0.309068 O\n0.678370 0.017576 0.954792 O\n0.178370 0.482424 0.045208 O\n0.321630 0.982424 0.045208 O\n0.821630 0.517576 0.954792 O\n0.706790 0.943181 0.455287 O\n0.206790 0.556819 0.544713 O\n0.293210 0.056819 0.544713 O\n0.793210 0.443181 0.455287 O\n0.635472 0.533339 0.822086 O\n0.135472 0.966661 0.177914 O\n0.364528 0.466661 0.177914 O\n0.864528 0.033339 0.822086 O\n",
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"elements": [
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"As",
"H",
"O"
],
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"density": 3.580884828767354,
"density_atomic": 0.08954398184297307,
"volume": 424.37246164279253,
"volume_molar": 6.725343943896309,
"formula_full": "Ca4 Cu2 As4 H8 O20",
"formula_reduced": "Ca2CuAs2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -234.99302467,
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"updated_at": "2021-11-28T01:35:28.361000Z",
"spacegroup": 14
},
{
"id": "mp-1222605",
"created_at": "2022-09-04T14:41:33.034940Z",
"structure_string": "Mn4 H32 C16 N12 O24\n1.0\n-8.805424 0.000000 0.000000\n0.000000 0.000000 -9.019074\n0.000000 -12.374431 0.000000\nMn H C N O\n4 32 16 12 24\ndirect\n0.252355 0.248515 0.749638 Mn\n0.247645 0.251485 0.249638 Mn\n0.747645 0.748515 0.249638 Mn\n0.752355 0.751485 0.749638 Mn\n0.901696 0.074331 0.775027 H\n0.592233 0.075025 0.225213 H\n0.907767 0.424975 0.725213 H\n0.598304 0.425669 0.275027 H\n0.092233 0.924975 0.225213 H\n0.401696 0.925669 0.775027 H\n0.098304 0.574331 0.275027 H\n0.407767 0.575025 0.725213 H\n0.251974 0.317275 0.001134 H\n0.248026 0.182725 0.501134 H\n0.751974 0.682725 0.001134 H\n0.748026 0.817275 0.501134 H\n0.173148 0.925794 0.921068 H\n0.325764 0.924381 0.078802 H\n0.174236 0.575619 0.578802 H\n0.326852 0.574206 0.421068 H\n0.825764 0.075619 0.078802 H\n0.673148 0.074206 0.921068 H\n0.826852 0.425794 0.421068 H\n0.674236 0.424381 0.578802 H\n0.093974 0.752806 0.877863 H\n0.404263 0.748878 0.120424 H\n0.095737 0.751122 0.620424 H\n0.406026 0.747194 0.377863 H\n0.904263 0.251122 0.120424 H\n0.593974 0.247194 0.877863 H\n0.906026 0.252806 0.377863 H\n0.595737 0.248878 0.620424 H\n0.179123 0.545708 0.946782 H\n0.320877 0.954292 0.446782 H\n0.679123 0.454292 0.946782 H\n0.820877 0.045708 0.446782 H\n0.250395 0.194992 0.000508 C\n0.249605 0.305008 0.500508 C\n0.750395 0.805008 0.000508 C\n0.749605 0.694992 0.500508 C\n0.250269 0.737962 0.999012 C\n0.249731 0.762038 0.499012 C\n0.750269 0.262038 0.999012 C\n0.749731 0.237962 0.499012 C\n0.982296 0.015158 0.721162 C\n0.515987 0.013548 0.280805 C\n0.984013 0.486452 0.780805 C\n0.517704 0.484842 0.221162 C\n0.015987 0.986452 0.280805 C\n0.482296 0.984842 0.721162 C\n0.017704 0.515158 0.221162 C\n0.484013 0.513548 0.780805 C\n0.261427 0.589116 0.997233 N\n0.238573 0.910884 0.497233 N\n0.761427 0.410884 0.997233 N\n0.738573 0.089116 0.497233 N\n0.163353 0.812728 0.928047 N\n0.334374 0.811274 0.071968 N\n0.165626 0.688726 0.571968 N\n0.336647 0.687272 0.428047 N\n0.834374 0.188726 0.071968 N\n0.663353 0.187272 0.928047 N\n0.836647 0.312728 0.428047 N\n0.665626 0.311274 0.571968 N\n0.947575 0.883587 0.693375 O\n0.554573 0.883104 0.307881 O\n0.945427 0.616896 0.807881 O\n0.552425 0.616413 0.193375 O\n0.054573 0.116896 0.307881 O\n0.447575 0.116413 0.693375 O\n0.052425 0.383587 0.193375 O\n0.445427 0.383104 0.807881 O\n0.102178 0.081410 0.692729 O\n0.395462 0.076739 0.312829 O\n0.104538 0.423261 0.812829 O\n0.397822 0.418590 0.192729 O\n0.895462 0.923261 0.312829 O\n0.602178 0.918590 0.692729 O\n0.897822 0.581410 0.192729 O\n0.604538 0.576739 0.812829 O\n0.243404 0.129120 0.909588 O\n0.256438 0.128451 0.091313 O\n0.243562 0.371549 0.591313 O\n0.256596 0.370880 0.409588 O\n0.756438 0.871549 0.091313 O\n0.743404 0.870880 0.909588 O\n0.756596 0.629120 0.409588 O\n0.743562 0.628451 0.591313 O\n",
"nsites": 88,
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"elements": [
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],
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"density_atomic": 0.08954579788038146,
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"formula_full": "Mn4 H32 C16 N12 O24",
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"updated_at": "2021-11-28T01:35:28.137000Z",
"spacegroup": 33
},
{
"id": "mp-1177430",
"created_at": "2022-09-04T14:42:23.467580Z",
"structure_string": "Li8 Fe4 P6 O24\n1.0\n8.443702 0.000000 0.000000\n4.126512 7.384759 0.000000\n4.216301 2.453826 7.521998\nLi Fe P O\n8 4 6 24\ndirect\n0.127159 0.763842 0.676584 Li\n0.415836 0.136353 0.678783 Li\n0.844553 0.200557 0.961240 Li\n0.241261 0.561147 0.355547 Li\n0.758739 0.438853 0.644453 Li\n0.155447 0.799443 0.038760 Li\n0.584164 0.863647 0.321217 Li\n0.872841 0.236158 0.323416 Li\n0.142541 0.139775 0.568728 Fe\n0.857459 0.860225 0.431272 Fe\n0.344469 0.340948 0.966328 Fe\n0.655531 0.659052 0.033672 Fe\n0.044384 0.451366 0.758929 P\n0.454779 0.740633 0.750556 P\n0.740346 0.051801 0.754360 P\n0.259654 0.948199 0.245640 P\n0.545221 0.259367 0.249444 P\n0.955616 0.548634 0.241071 P\n0.168250 0.490848 0.813165 O\n0.133362 0.243499 0.755753 O\n0.035167 0.598828 0.574280 O\n0.472220 0.785717 0.890599 O\n0.242959 0.859379 0.753305 O\n0.494199 0.525476 0.797902 O\n0.522976 0.168455 0.810649 O\n0.796773 0.842456 0.875088 O\n0.205565 0.946701 0.436806 O\n0.836415 0.472591 0.889603 O\n0.144971 0.848165 0.244242 O\n0.402204 0.205149 0.433809 O\n0.597796 0.794851 0.566191 O\n0.855029 0.151835 0.755758 O\n0.163585 0.527409 0.110397 O\n0.794435 0.053299 0.563194 O\n0.203227 0.157544 0.124912 O\n0.477024 0.831545 0.189351 O\n0.505801 0.474524 0.202098 O\n0.757041 0.140621 0.246695 O\n0.527780 0.214283 0.109401 O\n0.964833 0.401172 0.425720 O\n0.866638 0.756501 0.244247 O\n0.831750 0.509152 0.186835 O\n",
"nsites": 42,
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"elements": [
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],
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"formula_full": "Li8 Fe4 P6 O24",
"formula_reduced": "Li4Fe2(PO4)3",
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"updated_at": "2021-11-28T01:35:45.006000Z",
"spacegroup": 2
},
{
"id": "mp-759406",
"created_at": "2022-09-04T14:44:25.451438Z",
"structure_string": "Li12 Sb4 P8 O32\n1.0\n18.943088 0.000000 0.000000\n0.000000 5.087309 0.000000\n0.000000 4.991915 6.489325\nLi Sb P O\n12 4 8 32\ndirect\n0.700961 0.379058 0.822260 Li\n0.883874 0.736167 0.496837 Li\n0.045718 0.965481 0.303381 Li\n0.383874 0.263833 0.003163 Li\n0.545718 0.034519 0.196619 Li\n0.200961 0.620942 0.677740 Li\n0.799039 0.379058 0.322260 Li\n0.454282 0.965481 0.803381 Li\n0.616126 0.736167 0.996837 Li\n0.954282 0.034519 0.696619 Li\n0.116126 0.263833 0.503163 Li\n0.299039 0.620942 0.177740 Li\n0.875903 0.180460 0.016278 Sb\n0.375903 0.819540 0.483722 Sb\n0.624097 0.180460 0.516278 Sb\n0.124097 0.819540 0.983722 Sb\n0.715496 0.892022 0.293047 P\n0.534675 0.466331 0.743370 P\n0.034675 0.533669 0.756630 P\n0.215496 0.107978 0.206953 P\n0.784504 0.892022 0.793047 P\n0.965325 0.466331 0.243370 P\n0.465325 0.533669 0.256630 P\n0.284504 0.107978 0.706953 P\n0.203906 0.817920 0.191340 O\n0.689299 0.559550 0.498736 O\n0.444037 0.860939 0.226304 O\n0.676670 0.960763 0.107311 O\n0.055920 0.225866 0.975650 O\n0.070247 0.536808 0.587467 O\n0.797208 0.838546 0.283728 O\n0.451755 0.450464 0.764961 O\n0.951755 0.549536 0.735039 O\n0.297208 0.161454 0.216272 O\n0.570247 0.463192 0.912533 O\n0.555920 0.774134 0.524350 O\n0.176670 0.039237 0.392689 O\n0.944037 0.139061 0.273696 O\n0.189299 0.440450 0.001264 O\n0.703906 0.182080 0.308660 O\n0.296094 0.817920 0.691340 O\n0.810701 0.559550 0.998736 O\n0.055963 0.860939 0.726304 O\n0.823330 0.960763 0.607311 O\n0.444080 0.225866 0.475650 O\n0.429753 0.536808 0.087467 O\n0.702792 0.838546 0.783728 O\n0.048245 0.450464 0.264961 O\n0.548245 0.549536 0.235039 O\n0.202792 0.161454 0.716272 O\n0.929753 0.463192 0.412533 O\n0.944080 0.774134 0.024350 O\n0.323330 0.039237 0.892689 O\n0.555963 0.139061 0.773696 O\n0.310701 0.440450 0.501264 O\n0.796094 0.182080 0.808660 O\n",
"nsites": 56,
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"elements": [
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],
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"density": 3.5317984966784484,
"density_atomic": 0.08954670456239879,
"volume": 625.3719807296487,
"volume_molar": 6.7251394559177715,
"formula_full": "Li12 Sb4 P8 O32",
"formula_reduced": "Li3Sb(PO4)2",
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"energy": -381.13327021,
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"spacegroup": 14
},
{
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