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{
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"results": [
{
"id": "mp-769093",
"created_at": "2022-09-04T14:46:05.232977Z",
"structure_string": "Li6 Mn3 Ni1 P6 O24\n1.0\n8.498065 0.000000 0.000000\n4.019595 7.500935 0.000000\n3.986072 2.492965 7.175537\nLi Mn Ni P O\n6 3 1 6 24\ndirect\n0.986921 0.004527 0.999631 Li\n0.248584 0.652459 0.852535 Li\n0.522945 0.497993 0.494450 Li\n0.779847 0.339108 0.147899 Li\n0.333948 0.165386 0.779884 Li\n0.154608 0.777350 0.340112 Li\n0.855861 0.861396 0.859097 Mn\n0.640779 0.645476 0.637753 Mn\n0.359201 0.352359 0.349083 Mn\n0.145047 0.146899 0.147086 Ni\n0.949276 0.548841 0.253273 P\n0.555528 0.249058 0.941298 P\n0.254224 0.953062 0.542942 P\n0.749347 0.037991 0.459699 P\n0.451384 0.747311 0.033873 P\n0.035541 0.468094 0.755145 P\n0.862875 0.515495 0.705080 O\n0.687030 0.878035 0.494666 O\n0.946947 0.737205 0.087032 O\n0.468048 0.696520 0.873014 O\n0.759806 0.567667 0.416506 O\n0.967165 0.391195 0.200928 O\n0.748062 0.089418 0.919833 O\n0.557077 0.422811 0.753715 O\n0.418574 0.755937 0.561088 O\n0.799868 0.007395 0.621979 O\n0.910841 0.050202 0.271767 O\n0.622858 0.784255 0.000491 O\n0.393143 0.196521 0.967090 O\n0.110327 0.926778 0.739685 O\n0.195322 0.971372 0.390601 O\n0.591418 0.236846 0.430432 O\n0.426889 0.586362 0.230127 O\n0.263936 0.913033 0.052633 O\n0.020373 0.627796 0.806094 O\n0.227145 0.438461 0.601020 O\n0.530893 0.304092 0.098209 O\n0.042328 0.277820 0.919034 O\n0.312582 0.117227 0.503480 O\n0.113455 0.509243 0.312734 O\n",
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"O"
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"volume": 457.3933633674341,
"volume_molar": 6.886218042221289,
"formula_full": "Li6 Mn3 Ni1 P6 O24",
"formula_reduced": "Li6Mn3Ni(PO4)6",
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"energy": -294.49683211,
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"spacegroup": 1
},
{
"id": "mp-764736",
"created_at": "2022-09-04T14:46:05.231240Z",
"structure_string": "V4 O5 F7\n1.0\n5.158358 0.000000 0.000000\n2.558213 4.715314 0.000000\n2.459885 1.595671 8.555056\nV O F\n4 5 7\ndirect\n0.790575 0.731765 0.742001 V\n0.534049 0.508958 0.490595 V\n0.232403 0.251398 0.237201 V\n0.989897 0.988140 0.995089 V\n0.840138 0.840428 0.918976 O\n0.820432 0.418403 0.338796 O\n0.150630 0.587219 0.662015 O\n0.168958 0.167415 0.088508 O\n0.651045 0.656615 0.585566 O\n0.328270 0.334908 0.417222 F\n0.339304 0.924350 0.831441 F\n0.774844 0.383051 0.883109 F\n0.702772 0.131904 0.623581 F\n0.277281 0.872868 0.378072 F\n0.225609 0.625838 0.128144 F\n0.673794 0.076738 0.179684 F\n",
"nsites": 16,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.325689124880642,
"density_atomic": 0.07689091479189603,
"volume": 208.08700277924555,
"volume_molar": 7.832057631644549,
"formula_full": "V4 O5 F7",
"formula_reduced": "V4O5F7",
"formula_anonymous": "A4B5C7",
"energy": -118.47947966,
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"updated_at": "2021-11-28T01:37:22.753000Z",
"spacegroup": 1
},
{
"id": "mp-754571",
"created_at": "2022-09-04T14:46:05.430270Z",
"structure_string": "Li4 Co7 O2 F14\n1.0\n6.051681 0.000000 0.000000\n-2.911185 5.349836 0.000000\n-2.897808 -1.874823 10.001476\nLi Co O F\n4 7 2 14\ndirect\n0.640646 0.348988 0.444757 Li\n0.376353 0.168790 0.056463 Li\n0.624987 0.825223 0.947340 Li\n0.374026 0.665905 0.558382 Li\n0.003908 0.488105 0.994084 Co\n0.524604 0.749691 0.250342 Co\n0.989652 0.235162 0.244109 Co\n0.996948 0.749408 0.749633 Co\n0.979762 0.990076 0.499722 Co\n0.981232 0.756526 0.251273 Co\n0.495776 0.244601 0.748108 Co\n0.769600 0.663654 0.375201 O\n0.765928 0.892585 0.142062 O\n0.243429 0.375351 0.121527 F\n0.744473 0.393246 0.639072 F\n0.238481 0.844054 0.130682 F\n0.246091 0.874379 0.629486 F\n0.759031 0.856645 0.625774 F\n0.770430 0.383880 0.121547 F\n0.233845 0.644475 0.881166 F\n0.243444 0.138326 0.375797 F\n0.762376 0.140772 0.376275 F\n0.738830 0.147056 0.878838 F\n0.233828 0.614517 0.352244 F\n0.252075 0.339420 0.617728 F\n0.255253 0.105413 0.864087 F\n0.754995 0.613754 0.874302 F\n",
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"elements": [
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"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.7860415706043993,
"density_atomic": 0.08338408567925841,
"volume": 323.8027949824505,
"volume_molar": 7.222170406910144,
"formula_full": "Li4 Co7 O2 F14",
"formula_reduced": "Li4Co7(OF7)2",
"formula_anonymous": "A2B4C7D14",
"energy": -157.99457501999998,
"energy_per_atom": -5.851650926666666,
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"updated_at": "2021-11-28T01:37:26.542000Z",
"spacegroup": 1
},
{
"id": "mp-760158",
"created_at": "2022-09-04T14:46:05.467317Z",
"structure_string": "Li3 Mn3 V3 P6 H6 O30\n1.0\n5.238221 0.000000 0.000000\n-1.746962 7.139120 0.000000\n-0.719059 -0.670805 14.407123\nLi Mn V P H O\n3 3 3 6 6 30\ndirect\n0.259191 0.035336 0.185529 Li\n0.406680 0.630649 0.480406 Li\n0.741724 0.962796 0.814015 Li\n0.999754 0.999715 0.999741 Mn\n0.333023 0.333017 0.332932 Mn\n0.664148 0.663312 0.666597 Mn\n0.664774 0.659986 0.166049 V\n0.002231 0.005594 0.499986 V\n0.335339 0.338556 0.833218 V\n0.595118 0.265434 0.041451 P\n0.741059 0.058888 0.291059 P\n0.925072 0.606519 0.375174 P\n0.070922 0.399289 0.624477 P\n0.259237 0.939723 0.708087 P\n0.404116 0.733159 0.958176 P\n0.102385 0.747023 0.094727 H\n0.214838 0.564479 0.231059 H\n0.451527 0.102435 0.435887 H\n0.562500 0.916478 0.572063 H\n0.783866 0.432686 0.768831 H\n0.896862 0.252245 0.905000 H\n0.771086 0.128927 0.058982 O\n0.321441 0.184847 0.074051 O\n0.405633 0.688454 0.063516 O\n0.725931 0.452275 0.099748 O\n0.020092 0.128803 0.262137 O\n0.977132 0.825307 0.108860 O\n0.569207 0.200096 0.272889 O\n0.367697 0.506616 0.229452 O\n0.735321 0.016204 0.397126 O\n0.593326 0.880117 0.230541 O\n0.930514 0.649152 0.269467 O\n0.297632 0.159228 0.436739 O\n0.097191 0.465670 0.393469 O\n0.646099 0.536570 0.404478 O\n0.072852 0.785596 0.436028 O\n0.937094 0.212018 0.566800 O\n0.343462 0.478892 0.590797 O\n0.899790 0.539114 0.608257 O\n0.687446 0.837421 0.558148 O\n0.074717 0.353503 0.729660 O\n0.405042 0.117626 0.769439 O\n0.267992 0.981946 0.602258 O\n0.630245 0.489366 0.770421 O\n0.433254 0.799491 0.726972 O\n0.021419 0.173692 0.890559 O\n0.978569 0.870289 0.735948 O\n0.273666 0.546505 0.900055 O\n0.593658 0.310443 0.936305 O\n0.678247 0.814172 0.925819 O\n0.228538 0.870043 0.940847 O\n",
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"elements": [
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],
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"density": 3.113925634120098,
"density_atomic": 0.09465954505011466,
"volume": 538.7729253610883,
"volume_molar": 6.361894890591073,
"formula_full": "Li3 Mn3 V3 P6 H6 O30",
"formula_reduced": "LiMnVP2(HO5)2",
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"spacegroup": 1
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{
"id": "mp-1349064",
"created_at": "2022-09-04T14:46:05.467598Z",
"structure_string": "Li6 V4 P8 H4 O32\n1.0\n7.875514 0.000000 0.000000\n-1.827454 9.254257 0.000000\n-1.798700 -4.840323 7.894868\nLi V P H O\n6 4 8 4 32\ndirect\n0.353243 0.631004 0.906197 Li\n0.653748 0.366923 0.586804 Li\n0.852057 0.871230 0.792151 Li\n0.155552 0.134995 0.208376 Li\n0.345413 0.636597 0.406888 Li\n0.844058 0.864240 0.297327 Li\n0.488199 0.002397 0.745574 V\n0.997355 0.499162 0.000134 V\n0.003814 0.494383 0.506432 V\n0.500672 0.005987 0.248055 V\n0.269318 0.347478 0.393272 P\n0.265428 0.351438 0.891120 P\n0.229695 0.850036 0.504912 P\n0.233041 0.848737 0.007737 P\n0.760220 0.152000 0.491400 P\n0.764379 0.157583 0.986041 P\n0.733550 0.652333 0.607230 P\n0.739725 0.654751 0.105546 P\n0.497166 0.506013 0.747192 H\n0.516907 0.506721 0.235145 H\n0.982352 0.008799 0.509846 H\n0.993072 0.010570 0.000997 H\n0.054686 0.938418 0.938402 O\n0.354726 0.947762 0.886993 O\n0.645024 0.175691 0.810103 O\n0.687514 0.820728 0.939727 O\n0.153747 0.456207 0.918237 O\n0.164430 0.449609 0.417558 O\n0.318703 0.171947 0.549475 O\n0.349893 0.828925 0.685036 O\n0.436897 0.457259 0.862459 O\n0.447647 0.443604 0.370283 O\n0.652399 0.046049 0.623256 O\n0.808003 0.318288 0.487145 O\n0.821320 0.328359 0.973685 O\n0.050891 0.943354 0.432263 O\n0.140571 0.329506 0.740026 O\n0.145108 0.327864 0.235289 O\n0.851329 0.674118 0.764766 O\n0.851615 0.673918 0.262574 O\n0.937145 0.046925 0.574437 O\n0.190834 0.680223 0.512734 O\n0.190959 0.678845 0.011655 O\n0.339682 0.957050 0.382038 O\n0.552028 0.557585 0.629223 O\n0.556588 0.560886 0.124093 O\n0.644103 0.169827 0.318655 O\n0.687898 0.819623 0.443578 O\n0.838523 0.544298 0.589508 O\n0.857850 0.554559 0.085615 O\n0.309423 0.184965 0.054891 O\n0.353670 0.828232 0.183683 O\n0.665161 0.050496 0.115909 O\n0.946532 0.059158 0.061340 O\n",
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"formula_full": "Li6 V4 P8 H4 O32",
"formula_reduced": "Li3V2P4(HO8)2",
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{
"id": "mp-1225960",
"created_at": "2022-09-04T14:46:05.480643Z",
"structure_string": "Cs1 Mn1 H5 S2 O10\n1.0\n4.836522 -0.027557 -0.506578\n-0.582782 5.770820 -1.473580\n0.008264 0.007205 8.777129\nCs Mn H S O\n1 1 5 2 10\ndirect\n0.998998 0.004608 0.494504 Cs\n0.000420 0.006170 0.006288 Mn\n0.650499 0.272142 0.846209 H\n0.350187 0.726147 0.156404 H\n0.964625 0.349745 0.836074 H\n0.033091 0.647312 0.164103 H\n0.500158 0.530910 0.517495 H\n0.431961 0.687255 0.768245 S\n0.567859 0.317096 0.237830 S\n0.270608 0.885635 0.817604 O\n0.729692 0.115583 0.185691 O\n0.279827 0.459470 0.753087 O\n0.723801 0.541061 0.241731 O\n0.698803 0.716243 0.870508 O\n0.304761 0.287278 0.128184 O\n0.495508 0.697513 0.597810 O\n0.503330 0.315812 0.402501 O\n0.835925 0.218984 0.844425 O\n0.162946 0.776034 0.152306 O\n",
"nsites": 19,
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"elements": [
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"formula_full": "Cs1 Mn1 H5 S2 O10",
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{
"id": "mp-1200895",
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"structure_string": "Mg2 B6 H40 N6\n1.0\n-5.582756 0.000000 0.000000\n-0.001990 9.516953 0.000000\n-0.000511 0.000593 -9.561011\nMg B H N\n2 6 40 6\ndirect\n0.565757 0.501844 0.008137 Mg\n0.563164 0.998453 0.492795 Mg\n0.347975 0.350508 0.869702 B\n0.360609 0.651065 0.152726 B\n0.313863 0.153760 0.350016 B\n0.342882 0.849597 0.631426 B\n0.881648 0.980162 0.000548 B\n0.897723 0.482498 0.500456 B\n0.563922 0.336767 0.847396 H\n0.311346 0.329617 0.995504 H\n0.824245 0.226184 0.570723 H\n0.761868 0.080059 0.039446 H\n0.208993 0.103296 0.958464 H\n0.317916 0.682773 0.030092 H\n0.787974 0.767776 0.397209 H\n0.375570 0.267575 0.305365 H\n0.111327 0.122218 0.313983 H\n0.800983 0.387605 0.230887 H\n0.842087 0.877231 0.073286 H\n0.198175 0.046452 0.121412 H\n0.560767 0.838537 0.649528 H\n0.238962 0.754897 0.690163 H\n0.724063 0.640409 0.779731 H\n0.959474 0.582161 0.861893 H\n0.847183 0.954436 0.877492 H\n0.268274 0.936752 0.993972 H\n0.302238 0.842930 0.503911 H\n0.823176 0.724893 0.917588 H\n0.783077 0.585576 0.464822 H\n0.317528 0.157437 0.479501 H\n0.772833 0.268193 0.108171 H\n0.984536 0.386219 0.097577 H\n0.852304 0.382619 0.424719 H\n0.281438 0.431703 0.505788 H\n0.286474 0.530415 0.172794 H\n0.798242 0.883281 0.269779 H\n0.986196 0.894317 0.400464 H\n0.220136 0.546805 0.382474 H\n0.232574 0.269365 0.799372 H\n0.711717 0.152989 0.711040 H\n0.950307 0.085773 0.638479 H\n0.861836 0.453726 0.622613 H\n0.229545 0.598124 0.547422 H\n0.455157 0.064983 0.303157 H\n0.290334 0.472558 0.841813 H\n0.276474 0.964370 0.675324 H\n0.578940 0.652147 0.171637 H\n0.265389 0.732965 0.231604 H\n0.787318 0.130254 0.616133 N\n0.810867 0.873119 0.376776 N\n0.807863 0.372989 0.124212 N\n0.793531 0.625763 0.877689 N\n0.158999 0.019413 0.019565 N\n0.176969 0.517282 0.482984 N\n",
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"elements": [
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"N"
],
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"volume": 507.9844162467477,
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"formula_full": "Mg2 B6 H40 N6",
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"energy": -247.29622306,
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},
{
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"structure_string": "Zn4 Cd2 B4 O12\n1.0\n-4.119435 2.452185 4.125197\n0.126120 -4.846855 4.219943\n4.302089 2.412510 4.334637\nZn Cd B O\n4 2 4 12\ndirect\n0.046525 0.335839 0.725374 Zn\n0.222194 0.840661 0.544578 Zn\n0.838375 0.545397 0.223732 Zn\n0.540238 0.229877 0.838296 Zn\n0.345730 0.726232 0.040470 Cd\n0.708373 0.047038 0.338685 Cd\n0.408543 0.416056 0.433920 B\n0.906488 0.916230 0.902339 B\n0.163015 0.169800 0.160132 B\n0.668441 0.643319 0.649052 B\n0.524817 0.485160 0.242815 O\n0.482890 0.226012 0.547451 O\n0.219741 0.527035 0.509394 O\n0.012127 0.018573 0.718523 O\n0.997809 0.723714 0.996320 O\n0.712913 0.004349 0.995944 O\n0.271824 0.982076 0.249512 O\n0.977352 0.255363 0.266973 O\n0.237361 0.267338 0.961336 O\n0.476503 0.757739 0.710739 O\n0.786607 0.713047 0.460345 O\n0.742336 0.459344 0.774072 O\n",
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],
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{
"id": "mp-1234080",
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"structure_string": "Mg1 Au4 Se4 Cl4 O12\n1.0\n4.745579 0.057755 -0.251215\n0.430732 9.891007 1.345059\n-0.889863 -0.328550 11.069171\nMg Au Se Cl O\n1 4 4 4 12\ndirect\n0.111711 0.439453 0.433583 Mg\n0.041787 0.579681 0.203095 Au\n0.017382 0.997082 0.996847 Au\n0.973134 0.419370 0.809149 Au\n0.981365 0.009428 0.492787 Au\n0.749055 0.867114 0.245513 Se\n0.215400 0.712607 0.895879 Se\n0.838196 0.289494 0.090102 Se\n0.250481 0.130581 0.747405 Se\n0.244156 0.487127 0.654680 Cl\n0.608753 0.482045 0.422064 Cl\n0.259386 0.194797 0.454732 Cl\n0.719955 0.825933 0.526630 Cl\n0.702179 0.949439 0.097766 O\n0.724527 0.362627 0.940061 O\n0.063767 0.768560 0.260692 O\n0.106228 0.168297 0.075872 O\n0.088986 0.385963 0.162021 O\n0.932076 0.832469 0.913713 O\n0.363685 0.655990 0.036646 O\n0.939792 0.230223 0.752540 O\n0.883989 0.010692 0.310857 O\n0.927400 0.604353 0.859908 O\n0.328622 0.045514 0.892502 O\n0.080766 0.001161 0.677339 O\n",
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],
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"formula_full": "Mg1 Au4 Se4 Cl4 O12",
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"spacegroup": 1
},
{
"id": "mp-1099762",
"created_at": "2022-09-04T14:46:05.610718Z",
"structure_string": "Sr20 Ca12 Ti12 Mn20 O80\n1.0\n-0.008374 -0.025774 11.109796\n11.300359 0.006719 -0.008596\n-5.637269 15.767591 -5.585675\nSr Ca Ti Mn O\n20 12 12 20 80\ndirect\n0.306358 0.062371 0.610370 Sr\n0.303132 0.558098 0.610789 Sr\n0.809457 0.062711 0.610110 Sr\n0.813835 0.561830 0.612349 Sr\n0.191732 0.433722 0.384640 Sr\n0.195695 0.439238 0.891969 Sr\n0.697401 0.437433 0.384967 Sr\n0.697601 0.934507 0.384130 Sr\n0.695559 0.937706 0.888925 Sr\n0.061426 0.300178 0.611223 Sr\n0.059910 0.802229 0.613122 Sr\n0.558545 0.300291 0.612180 Sr\n0.560926 0.801978 0.612483 Sr\n0.442641 0.199769 0.384553 Sr\n0.443051 0.202110 0.889599 Sr\n0.446565 0.697536 0.384074 Sr\n0.445383 0.700148 0.889534 Sr\n0.947658 0.198074 0.385196 Sr\n0.949901 0.205022 0.892063 Sr\n0.944441 0.698116 0.383364 Sr\n0.300261 0.069187 0.109692 Ca\n0.299173 0.561732 0.111458 Ca\n0.801994 0.067439 0.107518 Ca\n0.805410 0.566952 0.109368 Ca\n0.184473 0.935776 0.387126 Ca\n0.196598 0.935821 0.893914 Ca\n0.697644 0.439966 0.892774 Ca\n0.056890 0.292075 0.110233 Ca\n0.049852 0.797306 0.113062 Ca\n0.548066 0.289575 0.108395 Ca\n0.556007 0.795661 0.110171 Ca\n0.946899 0.705427 0.895083 Ca\n0.004147 0.000102 0.000265 Ti\n0.004650 0.501104 0.004595 Ti\n0.502629 0.999839 0.003832 Ti\n0.499672 0.999235 0.496389 Ti\n0.506465 0.506250 0.007105 Ti\n0.503125 0.499672 0.499745 Ti\n0.254237 0.753645 0.009490 Ti\n0.252027 0.749838 0.498141 Ti\n0.750705 0.254015 0.001128 Ti\n0.753941 0.249154 0.497123 Ti\n0.756189 0.749909 0.001803 Ti\n0.755635 0.749656 0.499152 Ti\n0.002768 0.997186 0.496424 Mn\n0.001485 0.499578 0.497094 Mn\n0.256583 0.249829 0.003395 Mn\n0.250807 0.247477 0.497761 Mn\n0.104684 0.090265 0.244433 Mn\n0.112266 0.094491 0.756059 Mn\n0.109945 0.592983 0.245609 Mn\n0.111336 0.603968 0.758356 Mn\n0.604543 0.091419 0.244754 Mn\n0.612771 0.101946 0.751199 Mn\n0.608771 0.589432 0.244334 Mn\n0.617766 0.594785 0.752837 Mn\n0.356843 0.401136 0.246306 Mn\n0.369175 0.405350 0.754069 Mn\n0.354961 0.904271 0.247498 Mn\n0.363320 0.904860 0.752824 Mn\n0.853495 0.399042 0.240455 Mn\n0.860218 0.408447 0.754540 Mn\n0.857374 0.902313 0.242233 Mn\n0.867010 0.903316 0.752424 Mn\n0.122121 0.114906 0.492216 O\n0.123725 0.110672 0.990729 O\n0.125329 0.622676 0.491377 O\n0.126112 0.626259 0.989129 O\n0.625138 0.123666 0.490902 O\n0.628493 0.126463 0.991626 O\n0.627022 0.623432 0.491838 O\n0.631341 0.619866 0.988720 O\n0.135452 0.387163 0.018103 O\n0.123763 0.380297 0.502543 O\n0.142373 0.879948 0.018786 O\n0.134512 0.875686 0.505838 O\n0.641502 0.382527 0.016255 O\n0.632772 0.377100 0.505339 O\n0.641620 0.878551 0.016764 O\n0.634827 0.875127 0.506048 O\n0.374005 0.109977 0.487457 O\n0.377146 0.110623 0.990624 O\n0.375648 0.620917 0.490838 O\n0.380181 0.620230 0.992449 O\n0.874526 0.121336 0.492976 O\n0.878379 0.118627 0.993376 O\n0.875984 0.621078 0.492393 O\n0.877670 0.618173 0.988500 O\n0.395255 0.390459 0.016451 O\n0.384794 0.383417 0.504837 O\n0.390607 0.884118 0.017189 O\n0.383973 0.877750 0.506281 O\n0.889431 0.390151 0.018776 O\n0.880454 0.379196 0.505016 O\n0.891646 0.883346 0.016103 O\n0.881960 0.877457 0.504832 O\n0.082277 0.089299 0.130086 O\n0.079526 0.081601 0.642135 O\n0.082860 0.602124 0.126557 O\n0.075211 0.589888 0.644146 O\n0.586418 0.094071 0.124742 O\n0.574023 0.081908 0.624292 O\n0.589470 0.598194 0.125604 O\n0.577636 0.581118 0.626725 O\n0.446331 0.421061 0.371930 O\n0.454026 0.417766 0.874303 O\n0.450983 0.916209 0.371441 O\n0.456127 0.914305 0.878310 O\n0.930195 0.417172 0.355500 O\n0.952039 0.416337 0.878268 O\n0.947976 0.910221 0.361360 O\n0.955180 0.905604 0.878034 O\n0.329463 0.281784 0.126358 O\n0.324228 0.305200 0.636480 O\n0.331003 0.777683 0.126935 O\n0.322118 0.794053 0.626574 O\n0.832319 0.285418 0.127249 O\n0.822697 0.301171 0.628261 O\n0.835413 0.778327 0.124366 O\n0.826180 0.795069 0.626664 O\n0.181694 0.193130 0.359471 O\n0.193742 0.208720 0.873351 O\n0.194868 0.709520 0.371326 O\n0.199665 0.715672 0.874971 O\n0.693545 0.202706 0.371601 O\n0.703932 0.221745 0.879431 O\n0.695051 0.699377 0.370028 O\n0.708165 0.713463 0.876440 O\n0.415347 0.071072 0.239034 O\n0.429964 0.074072 0.752400 O\n0.422035 0.566300 0.238745 O\n0.434828 0.566882 0.751498 O\n0.923406 0.072338 0.237531 O\n0.935785 0.075391 0.753122 O\n0.921678 0.558617 0.238136 O\n0.936318 0.584925 0.762065 O\n0.169045 0.418415 0.239898 O\n0.188986 0.443880 0.755218 O\n0.168637 0.924960 0.248120 O\n0.183036 0.934633 0.762371 O\n0.672425 0.412730 0.236789 O\n0.677597 0.424529 0.759587 O\n0.670055 0.919572 0.238958 O\n0.686709 0.936081 0.753472 O\n",
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],
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"formula_full": "Sr20 Ca12 Ti12 Mn20 O80",
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},
{
"id": "mp-1217513",
"created_at": "2022-09-04T14:46:05.742452Z",
"structure_string": "Te15 Mo2 Br12 O2\n1.0\n-0.004225 8.182497 0.005574\n7.476378 2.050879 13.266857\n7.786857 -2.051693 -3.225731\nTe Mo Br O\n15 2 12 2\ndirect\n0.694594 0.843998 0.627567 Te\n0.196734 0.844138 0.628277 Te\n0.308076 0.148540 0.386339 Te\n0.809489 0.149662 0.383753 Te\n0.944013 0.955991 0.732076 Te\n0.441346 0.961049 0.724027 Te\n0.056647 0.039731 0.269739 Te\n0.558133 0.039817 0.270631 Te\n0.793940 0.700003 0.876733 Te\n0.294310 0.700039 0.877239 Te\n0.203727 0.307149 0.121511 Te\n0.703118 0.307947 0.119852 Te\n0.074763 0.754836 0.053269 Te\n0.425336 0.238439 0.940828 Te\n0.925499 0.236513 0.940420 Te\n0.543958 0.500420 0.500380 Mo\n0.045106 0.500510 0.499596 Mo\n0.948533 0.666141 0.466762 Br\n0.451129 0.668068 0.475227 Br\n0.046547 0.332099 0.520773 Br\n0.547084 0.332468 0.522268 Br\n0.075980 0.491506 0.798404 Br\n0.575776 0.494209 0.800448 Br\n0.920689 0.504526 0.196966 Br\n0.422223 0.505960 0.198136 Br\n0.172490 0.100126 0.802238 Br\n0.679281 0.100335 0.802104 Br\n0.819984 0.911188 0.198838 Br\n0.324474 0.910921 0.200341 Br\n0.258941 0.499936 0.499522 O\n0.757480 0.499736 0.499738 O\n",
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},
{
"id": "mp-1226142",
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"structure_string": "K7 Mo12 H29 Pt2 O59\n1.0\n-10.397059 0.000000 0.000000\n-1.119034 -12.251684 0.000000\n4.270197 4.308900 11.071482\nK Mo H Pt O\n7 12 29 2 59\ndirect\n0.245678 0.093250 0.873075 K\n0.755018 0.905316 0.125268 K\n0.577091 0.365805 0.173106 K\n0.422491 0.637245 0.826667 K\n0.000888 0.999012 0.498358 K\n0.078842 0.430995 0.150168 K\n0.923256 0.572480 0.852034 K\n0.471471 0.318650 0.807035 Mo\n0.528763 0.682797 0.193709 Mo\n0.029322 0.220153 0.337639 Mo\n0.970694 0.779751 0.661874 Mo\n0.701166 0.227898 0.673599 Mo\n0.301921 0.775425 0.330244 Mo\n0.134763 0.313323 0.646170 Mo\n0.865255 0.686900 0.354198 Mo\n0.606710 0.140063 0.368032 Mo\n0.391431 0.859964 0.627152 Mo\n0.269086 0.135184 0.198589 Mo\n0.730383 0.863867 0.801160 Mo\n0.154007 0.379444 0.902000 H\n0.846500 0.621493 0.099177 H\n0.246844 0.485855 0.004600 H\n0.753580 0.515486 0.996312 H\n0.748675 0.256638 0.976279 H\n0.252241 0.742845 0.024486 H\n0.242970 0.409539 0.509111 H\n0.760169 0.590285 0.490550 H\n0.405785 0.414733 0.362337 H\n0.594755 0.587063 0.638756 H\n0.964597 0.123689 0.941788 H\n0.035875 0.875377 0.058188 H\n0.311337 0.103832 0.625766 H\n0.686623 0.895693 0.374483 H\n0.816219 0.415438 0.425506 H\n0.184092 0.583180 0.574305 H\n0.422925 0.534960 0.347208 H\n0.576017 0.465623 0.650828 H\n0.215436 0.021863 0.351227 H\n0.782680 0.977579 0.648523 H\n0.958200 0.189817 0.857538 H\n0.043955 0.808825 0.142508 H\n0.422927 0.947152 0.229917 H\n0.579100 0.051902 0.770579 H\n0.762915 0.156923 0.022706 H\n0.235756 0.842893 0.978211 H\n0.731306 0.420600 0.509002 H\n0.268909 0.581118 0.491888 H\n0.501290 0.016112 0.500092 H\n0.371958 0.210935 0.500601 Pt\n0.626538 0.787725 0.499679 Pt\n0.152106 0.453443 0.966956 O\n0.848280 0.547862 0.033702 O\n0.036531 0.199047 0.486164 O\n0.963976 0.801610 0.514078 O\n0.926910 0.340759 0.346785 O\n0.074523 0.660057 0.654006 O\n0.738780 0.454555 0.452382 O\n0.261320 0.544659 0.546688 O\n0.437294 0.029295 0.237361 O\n0.563091 0.970368 0.763341 O\n0.749817 0.241350 0.046886 O\n0.250055 0.758622 0.953887 O\n0.174809 0.007646 0.090750 O\n0.825117 0.991122 0.909293 O\n0.106217 0.242860 0.734715 O\n0.893402 0.758285 0.266055 O\n0.515619 0.319782 0.644336 O\n0.484130 0.678689 0.356159 O\n0.131201 0.242054 0.238714 O\n0.868339 0.757433 0.760342 O\n0.708218 0.014118 0.362876 O\n0.289610 0.986457 0.635155 O\n0.223439 0.105518 0.353148 O\n0.775053 0.894526 0.646565 O\n0.025284 0.428464 0.654271 O\n0.974796 0.571773 0.345262 O\n0.319107 0.188678 0.632460 O\n0.680240 0.811449 0.368450 O\n0.368237 0.460684 0.311077 O\n0.632920 0.538483 0.687280 O\n0.422884 0.261483 0.896388 O\n0.577507 0.739177 0.103851 O\n0.329578 0.196880 0.119853 O\n0.671187 0.801025 0.879813 O\n0.701868 0.248935 0.522874 O\n0.292004 0.748295 0.475766 O\n0.641329 0.194122 0.271921 O\n0.363327 0.805419 0.726472 O\n0.425029 0.234417 0.370301 O\n0.574651 0.764204 0.629467 O\n0.582010 0.439326 0.906087 O\n0.417397 0.562502 0.094624 O\n0.810609 0.344046 0.779504 O\n0.194068 0.658105 0.222573 O\n0.925030 0.098064 0.235378 O\n0.073850 0.902528 0.764542 O\n0.217254 0.326541 0.498790 O\n0.785574 0.673059 0.500912 O\n0.804704 0.103106 0.661206 O\n0.196320 0.899315 0.340362 O\n0.503064 0.999683 0.991858 O\n0.009863 0.187607 0.937313 O\n0.990953 0.811626 0.063230 O\n0.609244 0.196310 0.773245 O\n0.394734 0.806878 0.229830 O\n0.525403 0.098457 0.503218 O\n0.472112 0.896948 0.498425 O\n0.306821 0.401875 0.753724 O\n0.693294 0.598623 0.246099 O\n",
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"formula_full": "K7 Mo12 H29 Pt2 O59",
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"energy": -718.65421757,
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}
]
}