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{
"id": "mp-1202819",
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"structure_string": "Sr8 B20 H4 O40\n1.0\n8.527039 0.000000 0.000000\n0.000000 6.559622 0.000000\n0.000000 1.111197 14.328121\nSr B H O\n8 20 4 40\ndirect\n0.658108 0.478712 0.109475 Sr\n0.158108 0.521288 0.390525 Sr\n0.341892 0.521288 0.890525 Sr\n0.841892 0.478712 0.609475 Sr\n0.499949 0.953640 0.272415 Sr\n0.999949 0.046360 0.227585 Sr\n0.500051 0.046360 0.727585 Sr\n0.000051 0.953640 0.772415 Sr\n0.774462 0.195827 0.393137 B\n0.274462 0.804173 0.106863 B\n0.225538 0.804173 0.606863 B\n0.725538 0.195827 0.893137 B\n0.340315 0.464962 0.185144 B\n0.840315 0.535038 0.314856 B\n0.659685 0.535038 0.814856 B\n0.159685 0.464962 0.685144 B\n0.683233 0.816642 0.933145 B\n0.183233 0.183358 0.566855 B\n0.316767 0.183358 0.066855 B\n0.816767 0.816642 0.433145 B\n0.796669 0.041006 0.561503 B\n0.296669 0.958994 0.938497 B\n0.203331 0.958994 0.438497 B\n0.703331 0.041006 0.061503 B\n0.554352 0.427144 0.320324 B\n0.054352 0.572856 0.179676 B\n0.445648 0.572856 0.679676 B\n0.945648 0.427144 0.820324 B\n0.009026 0.408646 0.063899 H\n0.509026 0.591354 0.436101 H\n0.990974 0.591354 0.936101 H\n0.490974 0.408646 0.563899 H\n0.385803 0.680653 0.164919 O\n0.885803 0.319347 0.335081 O\n0.614197 0.319347 0.835081 O\n0.114197 0.680653 0.664919 O\n0.953278 0.438794 0.120317 O\n0.453278 0.561206 0.379683 O\n0.046722 0.561206 0.879683 O\n0.546722 0.438794 0.620317 O\n0.611114 0.245535 0.374788 O\n0.111114 0.754465 0.125212 O\n0.388886 0.754465 0.625212 O\n0.888886 0.245535 0.874788 O\n0.454669 0.355384 0.245453 O\n0.954669 0.644616 0.254547 O\n0.545331 0.644616 0.754547 O\n0.045331 0.355384 0.745453 O\n0.646643 0.623354 0.912726 O\n0.146643 0.376646 0.587274 O\n0.353357 0.376646 0.087274 O\n0.853357 0.623354 0.412726 O\n0.181545 0.439832 0.221082 O\n0.681545 0.560168 0.278918 O\n0.818455 0.560168 0.778918 O\n0.318455 0.439832 0.721082 O\n0.799348 0.976320 0.367139 O\n0.299348 0.023680 0.132861 O\n0.200652 0.023680 0.632861 O\n0.700652 0.976320 0.867139 O\n0.711395 0.069077 0.152947 O\n0.211395 0.930923 0.347053 O\n0.288605 0.930923 0.847053 O\n0.788605 0.069077 0.652947 O\n0.811463 0.203683 0.494750 O\n0.311463 0.796317 0.005250 O\n0.188537 0.796317 0.505250 O\n0.688537 0.203683 0.994750 O\n0.704386 0.841762 0.028499 O\n0.204386 0.158238 0.471501 O\n0.295614 0.158238 0.971501 O\n0.795614 0.841762 0.528499 O\n",
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"formula_full": "Sr8 B20 H4 O40",
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"updated_at": "2021-11-28T01:37:55.843000Z",
"spacegroup": 14
},
{
"id": "mp-697835",
"created_at": "2022-09-04T14:40:34.580820Z",
"structure_string": "Ca10 V5 Fe15 Bi2 O48\n1.0\n10.900775 0.000000 0.000000\n-3.642553 10.273739 0.000000\n-3.656873 -5.111057 8.912213\nCa V Fe Bi O\n10 5 15 2 48\ndirect\n0.625524 0.871680 0.247775 Ca\n0.125055 0.745672 0.373318 Ca\n0.749835 0.875078 0.625159 Ca\n0.124356 0.379350 0.251784 Ca\n0.623853 0.747497 0.875633 Ca\n0.376147 0.252503 0.124367 Ca\n0.875644 0.620650 0.748216 Ca\n0.250165 0.124922 0.374841 Ca\n0.374476 0.128320 0.752225 Ca\n0.874945 0.254328 0.626682 Ca\n0.000000 0.000000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.250837 0.877150 0.126262 Fe\n0.124735 0.875125 0.751407 Fe\n0.373647 0.625785 0.251256 Fe\n0.874549 0.751398 0.126785 Fe\n0.374314 0.749091 0.623467 Fe\n0.000000 0.500000 0.500000 Fe\n0.749662 0.627031 0.377054 Fe\n0.250338 0.372969 0.622946 Fe\n0.500000 0.500000 0.000000 Fe\n0.626353 0.374215 0.748744 Fe\n0.625686 0.250909 0.376533 Fe\n0.125451 0.248602 0.873215 Fe\n0.000000 0.500000 0.000000 Fe\n0.875265 0.124875 0.248593 Fe\n0.749163 0.122850 0.873738 Fe\n0.243316 0.613903 0.873370 Bi\n0.756684 0.386097 0.126630 Bi\n0.018391 0.906809 0.330107 O\n0.671468 0.983345 0.095048 O\n0.407616 0.891319 0.080180 O\n0.308941 0.924153 0.328018 O\n0.112342 0.923453 0.596432 O\n0.389966 0.907259 0.578703 O\n0.518546 0.829870 0.407225 O\n0.178084 0.580519 0.201893 O\n0.418021 0.623033 0.097655 O\n0.678683 0.705355 0.081385 O\n0.081271 0.679976 0.702692 O\n0.808333 0.979974 0.885331 O\n0.808961 0.829546 0.424726 O\n0.424740 0.812178 0.828215 O\n0.180115 0.598523 0.477846 O\n0.518146 0.690061 0.613116 O\n0.098205 0.681606 0.978765 O\n0.981977 0.889388 0.810830 O\n0.389517 0.482707 0.311868 O\n0.915166 0.595101 0.122419 O\n0.596341 0.475567 0.179871 O\n0.690224 0.615643 0.519997 O\n0.097361 0.417544 0.622086 O\n0.889561 0.812254 0.983472 O\n0.110439 0.187746 0.016528 O\n0.902639 0.582456 0.377914 O\n0.309776 0.384357 0.480003 O\n0.403659 0.524433 0.820129 O\n0.084834 0.404899 0.877581 O\n0.610483 0.517293 0.688132 O\n0.018023 0.110612 0.189170 O\n0.901795 0.318394 0.021235 O\n0.481854 0.309939 0.386884 O\n0.819885 0.401477 0.522154 O\n0.575260 0.187822 0.171785 O\n0.191039 0.170454 0.575274 O\n0.191667 0.020026 0.114669 O\n0.918729 0.320024 0.297308 O\n0.321317 0.294645 0.918615 O\n0.581979 0.376967 0.902345 O\n0.821916 0.419481 0.798107 O\n0.481454 0.170130 0.592775 O\n0.610034 0.092741 0.421297 O\n0.887658 0.076547 0.403568 O\n0.691059 0.075847 0.671982 O\n0.592384 0.108681 0.919820 O\n0.328532 0.016655 0.904952 O\n0.981609 0.093191 0.669893 O\n",
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"elements": [
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"V",
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"chemical_system": "Bi-Ca-Fe-O-V",
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"formula_full": "Ca10 V5 Fe15 Bi2 O48",
"formula_reduced": "Ca10V5Fe15(BiO24)2",
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},
{
"id": "mp-677670",
"created_at": "2022-09-04T14:45:27.242347Z",
"structure_string": "Na8 Al8 Si12 H16 O48\n1.0\n8.722281 0.000000 0.000000\n-3.844863 -7.914924 0.000000\n-3.135528 0.497911 -15.741304\nNa Al Si H O\n8 8 12 16 48\ndirect\n0.391522 0.471330 0.846101 Na\n0.338035 0.979754 0.825532 Na\n0.622461 0.965019 0.734304 Na\n0.427603 0.361528 0.464475 Na\n0.077857 0.820329 0.301262 Na\n0.547154 0.955113 0.298520 Na\n0.803684 0.479496 0.494720 Na\n0.967186 0.484467 0.050350 Na\n0.722196 0.386164 0.828328 Al\n0.046741 0.301360 0.560005 Al\n0.324062 0.652332 0.648044 Al\n0.532439 0.316462 0.081738 Al\n0.138191 0.175698 0.034650 Al\n0.310269 0.475622 0.164015 Al\n0.567767 0.785123 0.500402 Al\n0.527113 0.677519 0.049875 Al\n0.951216 0.054181 0.862907 Si\n0.093505 0.054129 0.450734 Si\n0.755464 0.957593 0.958160 Si\n0.424142 0.186970 0.670794 Si\n0.352105 0.132233 0.190222 Si\n0.728910 0.375313 0.283603 Si\n0.809646 0.849374 0.423685 Si\n0.048154 0.908684 0.638515 Si\n0.917099 0.742364 0.746929 Si\n0.093788 0.632023 0.888284 Si\n0.687570 0.693306 0.234155 Si\n0.160367 0.614662 0.454241 Si\n0.077080 0.755843 0.941078 H\n0.254582 0.037404 0.446838 H\n0.894347 0.364407 0.288439 H\n0.614706 0.209431 0.581707 H\n0.929939 0.967494 0.585014 H\n0.084420 0.365834 0.724682 H\n0.447364 0.610682 0.334271 H\n0.624158 0.147629 0.941939 H\n0.402743 0.346478 0.672462 H\n0.087028 0.820333 0.575035 H\n0.127018 0.534872 0.230173 H\n0.866142 0.956469 0.100172 H\n0.212109 0.266751 0.287558 H\n0.569402 0.606511 0.728631 H\n0.143834 0.352801 0.055253 H\n0.259569 0.847069 0.072777 H\n0.486781 0.597562 0.250401 O\n0.051185 0.720824 0.432971 O\n0.296511 0.655014 0.897653 O\n0.135380 0.134178 0.928842 O\n0.143652 0.453374 0.644273 O\n0.561753 0.205461 0.767485 O\n0.090719 0.335713 0.788874 O\n0.489278 0.655381 0.732366 O\n0.407326 0.993423 0.631483 O\n0.331690 0.549843 0.967716 O\n0.030113 0.423793 0.471689 O\n0.661408 0.759097 0.972788 O\n0.236188 0.731803 0.057370 O\n0.253112 0.642943 0.367170 O\n0.323983 0.844328 0.684911 O\n0.159919 0.197780 0.527657 O\n0.608876 0.029727 0.954257 O\n0.653394 0.888842 0.604743 O\n0.383475 0.714992 0.112220 O\n0.263152 0.255715 0.199975 O\n0.916648 0.031124 0.051950 O\n0.198478 0.288630 0.345979 O\n0.347177 0.676953 0.532617 O\n0.323033 0.126433 0.079831 O\n0.413506 0.616369 0.393699 O\n0.587450 0.318878 0.915985 O\n0.930198 0.451025 0.896247 O\n0.112142 0.470544 0.178883 O\n0.710214 0.684522 0.483351 O\n0.296696 0.957318 0.232830 O\n0.751893 0.564374 0.762559 O\n0.675233 0.936579 0.427236 O\n0.709704 0.794807 0.144881 O\n0.784654 0.064311 0.632104 O\n0.212988 0.069543 0.697214 O\n0.552383 0.274211 0.592923 O\n0.089347 0.713200 0.793900 O\n0.473058 0.474023 0.097209 O\n0.652046 0.233570 0.363483 O\n0.815441 0.182464 0.564429 O\n0.912322 0.890227 0.806890 O\n0.606145 0.387034 0.352528 O\n0.575564 0.248043 0.193094 O\n0.673433 0.371203 0.007952 O\n0.919343 0.198467 0.797785 O\n0.780790 0.564098 0.235956 O\n0.792564 0.815479 0.319230 O\n0.043766 0.128619 0.353833 O\n",
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"formula_full": "Na8 Al8 Si12 H16 O48",
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{
"id": "mp-744814",
"created_at": "2022-09-04T14:43:19.250602Z",
"structure_string": "Rb6 Fe6 P12 H12 O48\n1.0\n18.001909 -4.150908 0.000000\n18.001909 4.150908 0.000000\n17.044787 0.000000 7.125590\nRb Fe P H O\n6 6 12 12 48\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.832861 0.832861 0.832861 Rb\n0.332861 0.332861 0.332861 Rb\n0.167139 0.167139 0.167139 Rb\n0.667139 0.667139 0.667139 Rb\n0.413825 0.413825 0.413825 Fe\n0.913825 0.913825 0.913825 Fe\n0.586175 0.586175 0.586175 Fe\n0.086175 0.086175 0.086175 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.200911 0.759516 0.401361 P\n0.401361 0.200911 0.759516 P\n0.759516 0.401361 0.200911 P\n0.901361 0.259516 0.700911 P\n0.700911 0.901361 0.259516 P\n0.259516 0.700911 0.901361 P\n0.799089 0.240484 0.598639 P\n0.598639 0.799089 0.240484 P\n0.240484 0.598639 0.799089 P\n0.098639 0.740484 0.299089 P\n0.299089 0.098639 0.740484 P\n0.740484 0.299089 0.098639 P\n0.014163 0.419966 0.926384 H\n0.926384 0.014163 0.419966 H\n0.419966 0.926384 0.014163 H\n0.426384 0.919966 0.514163 H\n0.514163 0.426384 0.919966 H\n0.919966 0.514163 0.426384 H\n0.985837 0.580034 0.073616 H\n0.073616 0.985837 0.580034 H\n0.580034 0.073616 0.985837 H\n0.573616 0.080034 0.485837 H\n0.485837 0.573616 0.080034 H\n0.080034 0.485837 0.573616 H\n0.318682 0.707248 0.411141 O\n0.411141 0.318682 0.707248 O\n0.707248 0.411141 0.318682 O\n0.911141 0.207248 0.818682 O\n0.818682 0.911141 0.207248 O\n0.207248 0.818682 0.911141 O\n0.681318 0.292752 0.588859 O\n0.588859 0.681318 0.292752 O\n0.292752 0.588859 0.681318 O\n0.088859 0.792752 0.181318 O\n0.181318 0.088859 0.792752 O\n0.792752 0.181318 0.088859 O\n0.208071 0.591772 0.503983 O\n0.503983 0.208071 0.591772 O\n0.591772 0.503983 0.208071 O\n0.003983 0.091772 0.708071 O\n0.708071 0.003983 0.091772 O\n0.091772 0.708071 0.003983 O\n0.791929 0.408228 0.496017 O\n0.496017 0.791929 0.408228 O\n0.408228 0.496017 0.791929 O\n0.996017 0.908228 0.291929 O\n0.291929 0.996017 0.908228 O\n0.908228 0.291929 0.996017 O\n0.985211 0.885057 0.507443 O\n0.507443 0.985211 0.885057 O\n0.885057 0.507443 0.985211 O\n0.007443 0.385057 0.485211 O\n0.485211 0.007443 0.385057 O\n0.385057 0.485211 0.007443 O\n0.014789 0.114943 0.492557 O\n0.492557 0.014789 0.114943 O\n0.114943 0.492557 0.014789 O\n0.992557 0.614943 0.514789 O\n0.514789 0.992557 0.614943 O\n0.614943 0.514789 0.992557 O\n0.254257 0.304115 0.609995 O\n0.609995 0.254257 0.304115 O\n0.304115 0.609995 0.254257 O\n0.109995 0.804115 0.754257 O\n0.754257 0.109995 0.804115 O\n0.804115 0.754257 0.109995 O\n0.745743 0.695885 0.390005 O\n0.390005 0.745743 0.695885 O\n0.695885 0.390005 0.745743 O\n0.890005 0.195885 0.245743 O\n0.245743 0.890005 0.195885 O\n0.195885 0.245743 0.890005 O\n",
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},
{
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"structure_string": "Nd4 Ho4 Fe56 B4\n1.0\n8.735539 0.000000 0.000000\n0.000000 8.735539 0.000000\n0.000000 0.000000 11.935508\nNd Ho Fe B\n4 4 56 4\ndirect\n0.233811 0.766189 0.500000 Nd\n0.766189 0.233811 0.500000 Nd\n0.266189 0.266189 0.000000 Nd\n0.733811 0.733811 0.000000 Nd\n0.645405 0.645405 0.500000 Ho\n0.354595 0.354595 0.500000 Ho\n0.854595 0.145405 0.000000 Ho\n0.145405 0.854595 0.000000 Ho\n0.932290 0.724835 0.372454 Fe\n0.067710 0.275165 0.372454 Fe\n0.567710 0.224835 0.872454 Fe\n0.432290 0.775165 0.872454 Fe\n0.067710 0.275165 0.627546 Fe\n0.932290 0.724835 0.627546 Fe\n0.432290 0.775165 0.127546 Fe\n0.567710 0.224835 0.127546 Fe\n0.724835 0.932290 0.372454 Fe\n0.275165 0.067710 0.372454 Fe\n0.224835 0.567710 0.872454 Fe\n0.775165 0.432290 0.872454 Fe\n0.275165 0.067710 0.627546 Fe\n0.724835 0.932290 0.627546 Fe\n0.775165 0.432290 0.127546 Fe\n0.224835 0.567710 0.127546 Fe\n0.140486 0.535600 0.324579 Fe\n0.859514 0.464400 0.324579 Fe\n0.359514 0.035600 0.824579 Fe\n0.640486 0.964400 0.824579 Fe\n0.859514 0.464400 0.675421 Fe\n0.140486 0.535600 0.675421 Fe\n0.640486 0.964400 0.175421 Fe\n0.359514 0.035600 0.175421 Fe\n0.535600 0.140486 0.324579 Fe\n0.464400 0.859514 0.324579 Fe\n0.035600 0.359514 0.824579 Fe\n0.964400 0.640486 0.824579 Fe\n0.464400 0.859514 0.675421 Fe\n0.535600 0.140486 0.675421 Fe\n0.964400 0.640486 0.175421 Fe\n0.035600 0.359514 0.175421 Fe\n0.182461 0.817539 0.252669 Fe\n0.817539 0.182461 0.252669 Fe\n0.317539 0.317539 0.752669 Fe\n0.682461 0.682461 0.752669 Fe\n0.817539 0.182461 0.747331 Fe\n0.182461 0.817539 0.747331 Fe\n0.682461 0.682461 0.247331 Fe\n0.317539 0.317539 0.247331 Fe\n0.402992 0.597008 0.300733 Fe\n0.597008 0.402992 0.300733 Fe\n0.097008 0.097008 0.800733 Fe\n0.902992 0.902992 0.800733 Fe\n0.597008 0.402992 0.699267 Fe\n0.402992 0.597008 0.699267 Fe\n0.902992 0.902992 0.199267 Fe\n0.097008 0.097008 0.199267 Fe\n0.500000 0.500000 0.117242 Fe\n0.000000 0.000000 0.617242 Fe\n0.500000 0.500000 0.882758 Fe\n0.000000 0.000000 0.382758 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.876846 0.876846 0.500000 B\n0.123154 0.123154 0.500000 B\n0.623154 0.376846 0.000000 B\n0.376846 0.623154 0.000000 B\n",
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},
{
"id": "mp-1045681",
"created_at": "2022-09-04T14:46:21.122176Z",
"structure_string": "Mg8 Sb8 As16 Se8 O56\n1.0\n-8.793643 8.793643 5.319831\n8.793643 -8.793643 5.319831\n8.793643 8.793643 -5.319831\nMg Sb As Se O\n8 8 16 8 56\ndirect\n0.055797 0.688703 0.085551 Mg\n0.220246 0.805797 0.867094 Mg\n0.311297 0.396848 0.367094 Mg\n0.029754 0.944203 0.632906 Mg\n0.194203 0.061297 0.414449 Mg\n0.646848 0.779754 0.585551 Mg\n0.938703 0.353152 0.132906 Mg\n0.603152 0.970246 0.914449 Mg\n0.742420 0.603272 0.498726 Sb\n0.104546 0.243694 0.501274 Sb\n0.507580 0.146728 0.001274 Sb\n0.396728 0.895454 0.139148 Sb\n0.145454 0.506306 0.998726 Sb\n0.853272 0.854546 0.360852 Sb\n0.756306 0.257580 0.860852 Sb\n0.493694 0.492420 0.639148 Sb\n0.535221 0.244510 0.586961 As\n0.139876 0.969534 0.977807 As\n0.258273 0.587931 0.477807 As\n0.494510 0.407549 0.209288 As\n0.219534 0.741727 0.329658 As\n0.657549 0.948260 0.413039 As\n0.051740 0.464779 0.709288 As\n0.030466 0.008273 0.170342 As\n0.198260 0.285221 0.790712 As\n0.592451 0.801740 0.086961 As\n0.110124 0.780466 0.522193 As\n0.412069 0.889876 0.670342 As\n0.714779 0.505490 0.913039 As\n0.991727 0.162069 0.022193 As\n0.837931 0.860124 0.829658 As\n0.755490 0.342451 0.290712 As\n0.391539 0.128286 0.250379 Se\n0.877907 0.141160 0.749621 Se\n0.871714 0.122093 0.263254 Se\n0.391160 0.141539 0.763254 Se\n0.378286 0.627907 0.236746 Se\n0.858461 0.621714 0.249621 Se\n0.858840 0.608461 0.736746 Se\n0.372093 0.608840 0.750379 Se\n0.833898 0.920073 0.722262 O\n0.409807 0.785557 0.563021 O\n0.091589 0.255467 0.353692 O\n0.532313 0.818000 0.975861 O\n0.987897 0.841589 0.336123 O\n0.744533 0.098225 0.836123 O\n0.689703 0.458003 0.612040 O\n0.407861 0.193548 0.475861 O\n0.843999 0.806867 0.494802 O\n0.068000 0.592139 0.785687 O\n0.650803 0.156001 0.962867 O\n0.443548 0.467687 0.285687 O\n0.840193 0.964443 0.936979 O\n0.505467 0.651775 0.663877 O\n0.170073 0.947811 0.586175 O\n0.580616 0.780927 0.312343 O\n0.027465 0.903214 0.063021 O\n0.404038 0.672337 0.112040 O\n0.079927 0.802189 0.913825 O\n0.416102 0.829927 0.777738 O\n0.922337 0.310297 0.768300 O\n0.222535 0.846786 0.436979 O\n0.717687 0.932000 0.524139 O\n0.052189 0.638364 0.222262 O\n0.781416 0.481727 0.812343 O\n0.599197 0.593999 0.537133 O\n0.312065 0.349197 0.505198 O\n0.518273 0.330616 0.299690 O\n0.193133 0.687935 0.037133 O\n0.035557 0.972535 0.875750 O\n0.406001 0.943133 0.005198 O\n0.327663 0.439703 0.731700 O\n0.731727 0.419384 0.200310 O\n0.096786 0.159807 0.124250 O\n0.806452 0.282313 0.214313 O\n0.541997 0.154038 0.231700 O\n0.158411 0.494533 0.146308 O\n0.219073 0.531416 0.799690 O\n0.030927 0.218584 0.700310 O\n0.348225 0.012103 0.853692 O\n0.560297 0.291997 0.887960 O\n0.901775 0.737897 0.646308 O\n0.056867 0.062065 0.462867 O\n0.708003 0.595962 0.268300 O\n0.669384 0.969073 0.187657 O\n0.197811 0.111636 0.277738 O\n0.468584 0.268273 0.687657 O\n0.153214 0.590193 0.375750 O\n0.842139 0.556452 0.024139 O\n0.845962 0.077663 0.387960 O\n0.361636 0.583898 0.413825 O\n0.888364 0.166102 0.086175 O\n0.262103 0.908411 0.163877 O\n0.214443 0.777465 0.624250 O\n0.937935 0.400803 0.994802 O\n0.182000 0.157861 0.714313 O\n",
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],
"chemical_system": "As-Mg-O-Sb-Se",
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"formula_full": "Mg8 Sb8 As16 Se8 O56",
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{
"id": "mp-757328",
"created_at": "2022-09-04T14:40:36.707528Z",
"structure_string": "Li14 Mn4 P14 O48\n1.0\n5.000979 0.000000 0.000000\n0.000000 12.615553 0.000000\n0.000000 2.220802 14.693724\nLi Mn P O\n14 4 14 48\ndirect\n0.252581 0.480637 0.055481 Li\n0.174889 0.105923 0.139037 Li\n0.747419 0.980637 0.055481 Li\n0.825111 0.605923 0.139037 Li\n0.813132 0.433489 0.402118 Li\n0.186868 0.933489 0.402118 Li\n0.291493 0.250000 0.500000 Li\n0.708507 0.750000 0.500000 Li\n0.813132 0.066511 0.597882 Li\n0.186868 0.566511 0.597882 Li\n0.174889 0.394077 0.860963 Li\n0.252581 0.019363 0.944519 Li\n0.825111 0.894077 0.860963 Li\n0.747419 0.519363 0.944519 Li\n0.356148 0.294291 0.280977 Mn\n0.643852 0.794291 0.280977 Mn\n0.356148 0.205709 0.719023 Mn\n0.643852 0.705709 0.719023 Mn\n0.535627 0.250000 0.000000 P\n0.464373 0.750000 0.000000 P\n0.856266 0.341726 0.136747 P\n0.143734 0.841726 0.136747 P\n0.622828 0.048540 0.270139 P\n0.377172 0.548540 0.270139 P\n0.855777 0.188230 0.393929 P\n0.144223 0.688230 0.393929 P\n0.855777 0.311770 0.606071 P\n0.144223 0.811770 0.606071 P\n0.622828 0.451460 0.729861 P\n0.377172 0.951460 0.729861 P\n0.856266 0.158274 0.863252 P\n0.143734 0.658274 0.863252 P\n0.386856 0.145154 0.018695 O\n0.613144 0.645154 0.018695 O\n0.745268 0.248312 0.082916 O\n0.856707 0.447240 0.072831 O\n0.254732 0.748312 0.082916 O\n0.143293 0.947240 0.072831 O\n0.135386 0.299745 0.167114 O\n0.762486 0.019567 0.186675 O\n0.672772 0.343777 0.218330 O\n0.864614 0.799745 0.167114 O\n0.237514 0.519567 0.186675 O\n0.393456 0.128937 0.249378 O\n0.327228 0.843777 0.218330 O\n0.606544 0.628937 0.249378 O\n0.862519 0.110695 0.318634 O\n0.137481 0.610695 0.318634 O\n0.049633 0.282694 0.359085 O\n0.455039 0.452566 0.342046 O\n0.570266 0.234214 0.398718 O\n0.950367 0.782694 0.359085 O\n0.544961 0.952566 0.342046 O\n0.429734 0.734214 0.398718 O\n0.959087 0.127954 0.482204 O\n0.040913 0.627954 0.482204 O\n0.959087 0.372046 0.517796 O\n0.040913 0.872046 0.517796 O\n0.570266 0.265786 0.601282 O\n0.455039 0.047434 0.657954 O\n0.049633 0.217306 0.640915 O\n0.429734 0.765786 0.601282 O\n0.544961 0.547434 0.657954 O\n0.950367 0.717306 0.640915 O\n0.862519 0.389305 0.681366 O\n0.137481 0.889305 0.681366 O\n0.393456 0.371063 0.750622 O\n0.672772 0.156223 0.781670 O\n0.606544 0.871063 0.750622 O\n0.762486 0.480433 0.813325 O\n0.135386 0.200255 0.832886 O\n0.327228 0.656223 0.781670 O\n0.237514 0.980433 0.813325 O\n0.864614 0.700255 0.832886 O\n0.856707 0.052760 0.927169 O\n0.745268 0.251688 0.917084 O\n0.143293 0.552760 0.927169 O\n0.254732 0.751688 0.917084 O\n0.386856 0.354846 0.981305 O\n0.613144 0.854846 0.981305 O\n",
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],
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"formula_full": "Li14 Mn4 P14 O48",
"formula_reduced": "Li7Mn2P7O24",
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"spacegroup": 13
},
{
"id": "mp-1020616",
"created_at": "2022-09-04T14:39:13.746417Z",
"structure_string": "Rb12 Mg12 P12 O48\n1.0\n5.400831 0.000000 0.000000\n0.000000 9.453836 0.000000\n0.000000 0.000000 26.965964\nRb Mg P O\n12 12 12 48\ndirect\n0.247685 0.201736 0.501020 Rb\n0.747685 0.798264 0.498980 Rb\n0.747685 0.701736 0.998980 Rb\n0.247685 0.298264 0.001020 Rb\n0.239621 0.309648 0.665013 Rb\n0.739621 0.690352 0.334987 Rb\n0.739621 0.809648 0.834987 Rb\n0.239621 0.190352 0.165013 Rb\n0.713930 0.689845 0.674073 Rb\n0.213930 0.310155 0.325927 Rb\n0.213930 0.189845 0.825927 Rb\n0.713930 0.810155 0.174073 Rb\n0.234357 0.913296 0.600660 Mg\n0.734357 0.086704 0.399340 Mg\n0.734357 0.413296 0.899340 Mg\n0.234357 0.586704 0.100660 Mg\n0.247214 0.594120 0.781947 Mg\n0.747214 0.405880 0.218053 Mg\n0.747214 0.094120 0.718053 Mg\n0.247214 0.905880 0.281947 Mg\n0.765666 0.442347 0.551981 Mg\n0.265666 0.557653 0.448019 Mg\n0.265666 0.942347 0.948019 Mg\n0.765666 0.057653 0.051981 Mg\n0.746788 0.103066 0.591811 P\n0.246788 0.896934 0.408189 P\n0.246788 0.603066 0.908189 P\n0.746788 0.396934 0.091811 P\n0.741405 0.410462 0.773097 P\n0.241405 0.589538 0.226903 P\n0.241405 0.910462 0.726903 P\n0.741405 0.089538 0.273097 P\n0.220088 0.573888 0.569581 P\n0.720088 0.426112 0.430419 P\n0.720088 0.073888 0.930419 P\n0.220088 0.926112 0.069581 P\n0.805964 0.238695 0.562052 O\n0.305964 0.761305 0.437948 O\n0.305964 0.738695 0.937948 O\n0.805964 0.261305 0.062052 O\n0.836108 0.280271 0.743842 O\n0.336108 0.719729 0.256158 O\n0.336108 0.780271 0.756158 O\n0.836108 0.219729 0.243842 O\n0.289176 0.732318 0.567668 O\n0.789176 0.267682 0.432332 O\n0.789176 0.232318 0.932332 O\n0.289176 0.767682 0.067668 O\n0.785267 0.130701 0.647906 O\n0.285267 0.869299 0.352094 O\n0.285267 0.630701 0.852094 O\n0.785267 0.369299 0.147906 O\n0.744040 0.372743 0.828939 O\n0.244040 0.627257 0.171061 O\n0.244040 0.872743 0.671061 O\n0.744040 0.127257 0.328939 O\n0.122260 0.523671 0.517282 O\n0.622260 0.476329 0.482718 O\n0.622260 0.023671 0.982718 O\n0.122260 0.976329 0.017282 O\n0.922616 0.982893 0.574290 O\n0.422616 0.017107 0.425710 O\n0.422616 0.482893 0.925710 O\n0.922616 0.517107 0.074290 O\n0.912011 0.539814 0.762537 O\n0.412011 0.460186 0.237463 O\n0.412011 0.039814 0.737463 O\n0.912011 0.960186 0.262537 O\n0.448093 0.487345 0.586456 O\n0.948093 0.512655 0.413544 O\n0.948093 0.987345 0.913544 O\n0.448093 0.012655 0.086456 O\n0.475139 0.057299 0.581850 O\n0.975139 0.942701 0.418150 O\n0.975139 0.557299 0.918150 O\n0.475139 0.442701 0.081850 O\n0.473721 0.448675 0.756111 O\n0.973721 0.551325 0.243889 O\n0.973721 0.948675 0.743889 O\n0.473721 0.051325 0.256111 O\n0.994550 0.541947 0.603800 O\n0.494550 0.458053 0.396200 O\n0.494550 0.041947 0.896200 O\n0.994550 0.958053 0.103800 O\n",
"nsites": 84,
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"elements": [
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"P",
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],
"chemical_system": "Mg-O-P-Rb",
"density": 2.963174778861311,
"density_atomic": 0.06100910918605823,
"volume": 1376.8435750115104,
"volume_molar": 9.870887872882063,
"formula_full": "Rb12 Mg12 P12 O48",
"formula_reduced": "RbMgPO4",
"formula_anonymous": "ABCD4",
"energy": -576.72554465,
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"updated_at": "2021-11-28T01:34:33.355000Z",
"spacegroup": 33
}
]
}