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{
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"results": [
{
"id": "mp-1235495",
"created_at": "2022-09-04T14:42:24.592995Z",
"structure_string": "Rb2 Li1 Os2 O6\n1.0\n-5.112181 -0.004616 2.186809\n-3.025829 4.661732 -0.007459\n-5.614860 -0.320261 -6.017373\nRb Li Os O\n2 1 2 6\ndirect\n0.897683 0.898072 0.305017 Rb\n0.111182 0.110610 0.669423 Rb\n0.761963 0.761774 0.716752 Li\n0.661988 0.661750 0.015141 Os\n0.334254 0.334353 0.997432 Os\n0.461427 0.647460 0.851674 O\n0.040942 0.461644 0.851425 O\n0.647328 0.040879 0.851735 O\n0.539950 0.356195 0.142197 O\n0.355954 0.961165 0.142139 O\n0.961142 0.539901 0.142251 O\n",
"nsites": 11,
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"O"
],
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"formula_full": "Rb2 Li1 Os2 O6",
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"spacegroup": 146
},
{
"id": "mp-1097903",
"created_at": "2022-09-04T14:42:24.616817Z",
"structure_string": "Mn16 H8 O32\n1.0\n0.000928 -0.002319 6.065391\n10.191745 -0.000778 0.001502\n-0.001865 10.212481 -0.004283\nMn H O\n16 8 32\ndirect\n0.498435 0.648197 0.834255 Mn\n0.006404 0.647436 0.841251 Mn\n0.506106 0.160422 0.647105 Mn\n0.997646 0.167265 0.648076 Mn\n0.996980 0.833908 0.351626 Mn\n0.504582 0.840907 0.352488 Mn\n0.004862 0.352393 0.160564 Mn\n0.496194 0.350771 0.165671 Mn\n0.251694 0.148534 0.334419 Mn\n0.743385 0.147549 0.341135 Mn\n0.245369 0.658379 0.147646 Mn\n0.753277 0.665603 0.148025 Mn\n0.247605 0.340671 0.853325 Mn\n0.754833 0.334080 0.852732 Mn\n0.253889 0.852152 0.666037 Mn\n0.746182 0.852778 0.659190 Mn\n0.271504 0.634960 0.421771 H\n0.480204 0.130837 0.916755 H\n0.480568 0.862328 0.076807 H\n0.975417 0.081947 0.132924 H\n0.980973 0.919848 0.866718 H\n0.268825 0.365718 0.577644 H\n0.772282 0.578726 0.634914 H\n0.752599 0.422857 0.362837 H\n0.252218 0.334284 0.044206 O\n0.751062 0.334469 0.044621 O\n0.250619 0.956084 0.334534 O\n0.748929 0.959022 0.337661 O\n0.252156 0.044727 0.664193 O\n0.751144 0.042724 0.661923 O\n0.250685 0.662368 0.959013 O\n0.752807 0.665963 0.956121 O\n0.999427 0.835135 0.544003 O\n0.500809 0.838109 0.541101 O\n0.003012 0.459906 0.840978 O\n0.500741 0.455984 0.836966 O\n0.498505 0.542562 0.163733 O\n0.001356 0.540242 0.162654 O\n0.501867 0.162934 0.460060 O\n0.996885 0.167310 0.455835 O\n0.503462 0.159699 0.210508 O\n0.983703 0.149589 0.200489 O\n0.005575 0.788914 0.159949 O\n0.487516 0.798765 0.148065 O\n0.989191 0.851250 0.800207 O\n0.506122 0.840416 0.789474 O\n0.489134 0.198942 0.849876 O\n0.006887 0.210442 0.839942 O\n0.245814 0.659545 0.711130 O\n0.763953 0.648027 0.700863 O\n0.262194 0.300090 0.647402 O\n0.745908 0.290695 0.660123 O\n0.245871 0.341195 0.290318 O\n0.754598 0.352173 0.298338 O\n0.263330 0.699892 0.351740 O\n0.744662 0.710395 0.339962 O\n",
"nsites": 56,
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"elements": [
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"H",
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],
"chemical_system": "H-Mn-O",
"density": 3.6799739926376023,
"density_atomic": 0.0887052857931558,
"volume": 631.3039803578512,
"volume_molar": 6.788931128684384,
"formula_full": "Mn16 H8 O32",
"formula_reduced": "Mn2HO4",
"formula_anonymous": "AB2C4",
"energy": -429.04654308,
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"updated_at": "2021-11-28T01:35:44.608000Z",
"spacegroup": 1
},
{
"id": "mp-1210695",
"created_at": "2022-09-04T14:42:24.621404Z",
"structure_string": "Mg6 Cu4 As6 O24\n1.0\n6.524421 6.031069 0.000000\n-6.524421 6.031069 0.000000\n0.000000 2.666072 6.280902\nMg Cu As O\n6 4 6 24\ndirect\n0.743354 0.256645 0.250000 Mg\n0.256645 0.743355 0.750000 Mg\n0.629309 0.944141 0.120517 Mg\n0.370691 0.055859 0.879483 Mg\n0.055859 0.370691 0.379483 Mg\n0.944141 0.629309 0.620517 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.497011 0.502989 0.250000 Cu\n0.502989 0.497011 0.750000 Cu\n0.350007 0.114437 0.376537 As\n0.649993 0.885563 0.623463 As\n0.885563 0.649993 0.123463 As\n0.114437 0.350007 0.876537 As\n0.286911 0.713089 0.250000 As\n0.713089 0.286911 0.750000 As\n0.251394 0.819402 0.021713 O\n0.748606 0.180598 0.978287 O\n0.180598 0.748606 0.478287 O\n0.819402 0.251394 0.521713 O\n0.495174 0.275669 0.314552 O\n0.504826 0.724331 0.685448 O\n0.724331 0.504826 0.185448 O\n0.275669 0.495174 0.814552 O\n0.828362 0.834193 0.111432 O\n0.171638 0.165807 0.888568 O\n0.165807 0.171638 0.388568 O\n0.834193 0.828362 0.611432 O\n0.666163 0.011448 0.377345 O\n0.333837 0.988552 0.622655 O\n0.988552 0.333837 0.122655 O\n0.011448 0.666163 0.877345 O\n0.404321 0.025434 0.179487 O\n0.595679 0.974566 0.820513 O\n0.974566 0.595679 0.320513 O\n0.025434 0.404321 0.679487 O\n0.488188 0.725979 0.235172 O\n0.511812 0.274021 0.764828 O\n0.274021 0.511812 0.264828 O\n0.725979 0.488188 0.735172 O\n",
"nsites": 40,
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"elements": [
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"Cu",
"As",
"O"
],
"chemical_system": "As-Cu-Mg-O",
"density": 4.143909336677096,
"density_atomic": 0.08092294963352853,
"volume": 494.29735546153324,
"volume_molar": 7.44182062971277,
"formula_full": "Mg6 Cu4 As6 O24",
"formula_reduced": "Mg3Cu2(AsO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -254.75317346,
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"updated_at": "2021-11-28T01:35:46.665000Z",
"spacegroup": 15
},
{
"id": "mp-699471",
"created_at": "2022-09-04T14:42:24.630328Z",
"structure_string": "Mo12 H36 I12 Cl16 O16\n1.0\n10.239687 0.000000 0.000000\n0.000000 9.915529 0.000000\n0.000000 2.988393 18.351254\nMo H I Cl O\n12 36 12 16 16\ndirect\n0.817484 0.906051 0.498256 Mo\n0.317484 0.093949 0.001744 Mo\n0.182516 0.093949 0.501744 Mo\n0.682516 0.906051 0.998256 Mo\n0.083298 0.829441 0.499842 Mo\n0.583298 0.170559 0.000158 Mo\n0.916702 0.170559 0.500158 Mo\n0.416702 0.829441 0.999842 Mo\n0.002807 0.035481 0.386259 Mo\n0.502807 0.964519 0.113741 Mo\n0.997193 0.964519 0.613741 Mo\n0.497193 0.035481 0.886259 Mo\n0.767056 0.356563 0.648785 H\n0.267056 0.643437 0.851215 H\n0.232944 0.643437 0.351215 H\n0.732944 0.356563 0.148785 H\n0.314085 0.736754 0.290308 H\n0.814085 0.263246 0.209692 H\n0.685915 0.263246 0.709692 H\n0.185915 0.736754 0.790308 H\n0.170542 0.391782 0.754305 H\n0.670542 0.608218 0.745695 H\n0.829458 0.608218 0.245695 H\n0.329458 0.391782 0.254305 H\n0.298663 0.455262 0.697467 H\n0.798663 0.544738 0.802533 H\n0.701337 0.544738 0.302533 H\n0.201337 0.455262 0.197467 H\n0.733817 0.446099 0.740783 H\n0.233817 0.553901 0.759217 H\n0.266183 0.553901 0.259217 H\n0.766183 0.446099 0.240783 H\n0.916973 0.751579 0.148817 H\n0.416973 0.248421 0.351183 H\n0.083027 0.248421 0.851183 H\n0.583027 0.751579 0.648817 H\n0.951977 0.807531 0.220534 H\n0.451977 0.192469 0.279466 H\n0.048023 0.192469 0.779466 H\n0.548023 0.807531 0.720534 H\n0.579201 0.636284 0.380398 H\n0.079201 0.363716 0.119602 H\n0.420799 0.363716 0.619602 H\n0.920799 0.636284 0.880398 H\n0.558782 0.480178 0.388706 H\n0.058782 0.519822 0.111294 H\n0.441218 0.519822 0.611294 H\n0.941218 0.480178 0.888706 H\n0.568832 0.779540 0.500919 I\n0.068832 0.220460 0.999081 I\n0.431168 0.220460 0.499081 I\n0.931168 0.779540 0.000919 I\n0.210299 0.579765 0.492288 I\n0.710299 0.420235 0.007712 I\n0.789701 0.420235 0.507712 I\n0.289701 0.579765 0.992288 I\n0.014155 0.078203 0.232073 I\n0.514155 0.921797 0.267927 I\n0.985845 0.921797 0.767927 I\n0.485845 0.078203 0.732073 I\n0.919245 0.792062 0.399111 Cl\n0.419245 0.207938 0.100889 Cl\n0.080755 0.207938 0.600889 Cl\n0.580755 0.792062 0.899111 Cl\n0.766689 0.107397 0.399044 Cl\n0.266689 0.892603 0.100956 Cl\n0.233311 0.892603 0.600956 Cl\n0.733311 0.107397 0.899044 Cl\n0.916525 0.729815 0.598249 Cl\n0.416525 0.270185 0.901751 Cl\n0.083475 0.270185 0.401751 Cl\n0.583475 0.729815 0.098249 Cl\n0.761941 0.043745 0.597255 Cl\n0.261941 0.956255 0.902745 Cl\n0.238059 0.956255 0.402745 Cl\n0.738059 0.043745 0.097255 Cl\n0.756141 0.332251 0.702284 O\n0.256141 0.667749 0.797716 O\n0.243859 0.667749 0.297716 O\n0.743859 0.332251 0.202284 O\n0.718369 0.524709 0.772796 O\n0.218369 0.475291 0.727204 O\n0.281631 0.475291 0.227204 O\n0.781631 0.524709 0.272796 O\n0.579514 0.725624 0.702164 O\n0.079514 0.274376 0.797836 O\n0.420486 0.274376 0.297836 O\n0.920486 0.725624 0.202164 O\n0.925150 0.561387 0.851753 O\n0.425150 0.438613 0.648247 O\n0.074850 0.438613 0.148247 O\n0.574850 0.561387 0.351753 O\n",
"nsites": 92,
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"elements": [
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"H",
"I",
"Cl",
"O"
],
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"density": 3.1492365292065077,
"density_atomic": 0.049376409971561355,
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"formula_full": "Mo12 H36 I12 Cl16 O16",
"formula_reduced": "Mo3H9I3(ClO)4",
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"updated_at": "2021-11-28T01:35:44.620000Z",
"spacegroup": 14
},
{
"id": "mp-1101600",
"created_at": "2022-09-04T14:42:24.632268Z",
"structure_string": "Mo4 P6 O26\n1.0\n8.444243 -0.015584 3.178684\n4.489213 7.601679 -2.513651\n0.006955 -0.036160 9.008542\nMo P O\n4 6 26\ndirect\n0.827062 0.833233 0.156417 Mo\n0.670481 0.348347 0.670563 Mo\n0.172938 0.166767 0.843583 Mo\n0.329519 0.651653 0.329437 Mo\n0.436766 0.739900 0.652128 P\n0.563234 0.260100 0.347872 P\n0.749696 0.513905 0.994670 P\n0.250304 0.486095 0.005330 P\n0.063247 0.851697 0.763782 P\n0.936753 0.148303 0.236218 P\n0.910745 0.846822 0.896279 O\n0.288105 0.297577 0.942701 O\n0.771842 0.443697 0.803421 O\n0.403821 0.925355 0.742520 O\n0.455078 0.699200 0.464265 O\n0.596179 0.074645 0.257480 O\n0.726003 0.161654 0.692665 O\n0.888924 0.247385 0.434403 O\n0.111076 0.752615 0.565597 O\n0.423308 0.487964 0.884046 O\n0.089255 0.153178 0.103721 O\n0.273997 0.838346 0.307335 O\n0.232583 0.189267 0.654351 O\n0.750561 0.258490 0.236559 O\n0.249439 0.741510 0.763441 O\n0.544922 0.300800 0.535735 O\n0.083500 0.607800 0.005363 O\n0.711895 0.702423 0.057299 O\n0.964023 0.964437 0.199125 O\n0.767417 0.810733 0.345649 O\n0.916500 0.392200 0.994637 O\n0.576692 0.512036 0.115954 O\n0.035977 0.035563 0.800875 O\n0.590309 0.596908 0.646586 O\n0.228158 0.556303 0.196579 O\n0.409691 0.403092 0.353414 O\n",
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"formula_full": "Mo4 P6 O26",
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},
{
"id": "mp-1193697",
"created_at": "2022-09-04T14:42:24.633926Z",
"structure_string": "Ge8 S20\n1.0\n7.745299 0.032875 3.669160\n-0.225845 9.849089 0.768524\n-0.071524 0.062914 10.124435\nGe S\n8 20\ndirect\n0.887744 0.777357 0.981428 Ge\n0.112256 0.222643 0.018572 Ge\n0.619333 0.497741 0.179591 Ge\n0.380667 0.502259 0.820409 Ge\n0.809706 0.694496 0.352915 Ge\n0.190294 0.305504 0.647085 Ge\n0.478760 0.830672 0.264198 Ge\n0.521240 0.169328 0.735802 Ge\n0.015910 0.779954 0.136162 S\n0.984090 0.220046 0.863838 S\n0.733199 0.478697 0.344685 S\n0.266801 0.521303 0.655315 S\n0.669370 0.924083 0.043521 S\n0.330630 0.075917 0.956479 S\n0.580495 0.830050 0.437130 S\n0.419505 0.169950 0.562870 S\n0.381238 0.623966 0.250728 S\n0.618762 0.376034 0.749272 S\n0.811715 0.568991 0.952176 S\n0.188285 0.431009 0.047824 S\n0.920757 0.689936 0.512990 S\n0.079243 0.310064 0.487010 S\n0.086484 0.847982 0.764727 S\n0.913516 0.152018 0.235273 S\n0.251675 0.959489 0.338524 S\n0.748325 0.040511 0.661476 S\n0.541678 0.289774 0.170628 S\n0.458322 0.710226 0.829372 S\n",
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{
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}