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{
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{
"id": "mp-31512",
"created_at": "2022-09-04T14:42:54.493750Z",
"structure_string": "Rb28 Fe8 O32\n1.0\n10.653443 0.000000 0.000000\n0.000000 6.528202 0.000000\n0.000000 1.083381 20.997775\nRb Fe O\n28 8 32\ndirect\n0.546556 0.585725 0.866372 Rb\n0.046556 0.414275 0.633628 Rb\n0.453444 0.414275 0.133628 Rb\n0.953444 0.585725 0.366372 Rb\n0.889866 0.802697 0.533772 Rb\n0.389866 0.197303 0.966228 Rb\n0.110134 0.197303 0.466228 Rb\n0.610134 0.802697 0.033772 Rb\n0.842237 0.902797 0.885041 Rb\n0.342237 0.097203 0.614959 Rb\n0.157763 0.097203 0.114959 Rb\n0.657763 0.902797 0.385041 Rb\n0.838260 0.400912 0.803558 Rb\n0.338260 0.599088 0.696442 Rb\n0.161740 0.599088 0.196442 Rb\n0.661740 0.400912 0.303558 Rb\n0.556829 0.711509 0.547591 Rb\n0.056829 0.288491 0.952409 Rb\n0.443171 0.288491 0.452409 Rb\n0.943171 0.711509 0.047591 Rb\n0.003142 0.882621 0.715366 Rb\n0.503142 0.117379 0.784634 Rb\n0.996858 0.117379 0.284634 Rb\n0.496858 0.882621 0.215366 Rb\n0.707728 0.219888 0.637270 Rb\n0.207728 0.780112 0.862730 Rb\n0.292272 0.780112 0.362730 Rb\n0.792272 0.219888 0.137270 Rb\n0.222201 0.718774 0.525537 Fe\n0.722201 0.281226 0.974463 Fe\n0.777799 0.281226 0.474463 Fe\n0.277799 0.718774 0.025537 Fe\n0.330946 0.281887 0.294868 Fe\n0.169054 0.281887 0.794868 Fe\n0.830946 0.718113 0.205132 Fe\n0.669054 0.718113 0.705132 Fe\n0.741463 0.859948 0.765959 O\n0.241463 0.140052 0.734041 O\n0.258537 0.140052 0.234041 O\n0.758537 0.859948 0.265959 O\n0.800062 0.647294 0.657250 O\n0.300062 0.352706 0.842750 O\n0.199938 0.352706 0.342750 O\n0.699938 0.647294 0.157250 O\n0.590825 0.482744 0.730107 O\n0.090825 0.517256 0.769893 O\n0.409175 0.517256 0.269893 O\n0.909175 0.482744 0.230107 O\n0.541452 0.872966 0.673078 O\n0.041452 0.127034 0.826922 O\n0.458548 0.127034 0.326922 O\n0.958548 0.872966 0.173078 O\n0.799991 0.511183 0.942117 O\n0.200009 0.488817 0.057883 O\n0.700009 0.511183 0.442117 O\n0.340823 0.890793 0.492665 O\n0.889967 0.277437 0.538096 O\n0.389967 0.722563 0.961904 O\n0.110033 0.722563 0.461904 O\n0.610033 0.277437 0.038096 O\n0.140936 0.806979 0.594294 O\n0.640936 0.193021 0.905706 O\n0.859064 0.193021 0.405706 O\n0.359064 0.806979 0.094294 O\n0.159177 0.890793 0.992665 O\n0.659177 0.109207 0.507335 O\n0.840823 0.109207 0.007335 O\n0.299991 0.488817 0.557883 O\n",
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],
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"volume": 1460.3496419721296,
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"formula_full": "Rb28 Fe8 O32",
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"energy": -357.50934569,
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{
"id": "mp-758360",
"created_at": "2022-09-04T14:41:35.115840Z",
"structure_string": "Li4 V4 P8 O28\n1.0\n10.239103 0.000000 0.000000\n0.000000 7.094580 0.000000\n0.000000 2.992704 7.523838\nLi V P O\n4 4 8 28\ndirect\n0.150136 0.629519 0.939348 Li\n0.349864 0.629519 0.439348 Li\n0.650136 0.370481 0.560652 Li\n0.849864 0.370481 0.060652 Li\n0.606404 0.730681 0.743300 V\n0.893596 0.730681 0.243300 V\n0.106404 0.269319 0.756700 V\n0.393596 0.269319 0.256700 V\n0.851014 0.971427 0.793887 P\n0.648986 0.971427 0.293887 P\n0.905768 0.638327 0.686193 P\n0.594232 0.638327 0.186193 P\n0.405768 0.361673 0.813807 P\n0.094232 0.361673 0.313807 P\n0.351014 0.028573 0.706113 P\n0.148986 0.028573 0.206113 P\n0.707435 0.001417 0.735564 O\n0.872240 0.819625 0.983348 O\n0.421685 0.828739 0.739891 O\n0.923717 0.872147 0.665668 O\n0.792565 0.001417 0.235564 O\n0.627760 0.819625 0.483348 O\n0.601659 0.627590 0.004644 O\n0.078315 0.828739 0.239891 O\n0.576283 0.872147 0.165668 O\n0.779279 0.559193 0.794075 O\n0.898341 0.627590 0.504644 O\n0.025259 0.526461 0.793660 O\n0.525259 0.473539 0.706340 O\n0.720721 0.559193 0.294075 O\n0.279279 0.440807 0.705925 O\n0.474741 0.526461 0.293660 O\n0.974741 0.473539 0.206340 O\n0.101659 0.372410 0.495356 O\n0.220721 0.440807 0.205925 O\n0.423717 0.127853 0.834332 O\n0.921685 0.171261 0.760109 O\n0.398341 0.372410 0.995356 O\n0.372240 0.180375 0.516652 O\n0.207435 0.998583 0.764436 O\n0.076283 0.127853 0.334332 O\n0.578315 0.171261 0.260109 O\n0.127760 0.180375 0.016652 O\n0.292565 0.998583 0.264436 O\n",
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],
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"density": 2.8173633640693927,
"density_atomic": 0.08050533072619173,
"volume": 546.5476584358031,
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"formula_full": "Li4 V4 P8 O28",
"formula_reduced": "LiVP2O7",
"formula_anonymous": "ABC2D7",
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{
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"created_at": "2022-09-04T14:39:08.909545Z",
"structure_string": "Sr4 Cr8 O40\n1.0\n14.997645 0.000000 0.000000\n0.000000 7.276327 0.000000\n0.000000 2.482636 8.589936\nSr Cr O\n4 8 40\ndirect\n0.382784 0.313341 0.806762 Sr\n0.882784 0.186659 0.193238 Sr\n0.617216 0.686659 0.193238 Sr\n0.117216 0.813341 0.806762 Sr\n0.629828 0.096682 0.787785 Cr\n0.129828 0.403318 0.212215 Cr\n0.370172 0.903318 0.212215 Cr\n0.870172 0.596682 0.787785 Cr\n0.358000 0.903498 0.598243 Cr\n0.858000 0.596502 0.401757 Cr\n0.642000 0.096502 0.401757 Cr\n0.142000 0.403498 0.598243 Cr\n0.268220 0.843487 0.170749 O\n0.768220 0.656513 0.829251 O\n0.731780 0.156513 0.829251 O\n0.231780 0.343487 0.170749 O\n0.439499 0.729007 0.216870 O\n0.939499 0.770993 0.783130 O\n0.560501 0.270993 0.783130 O\n0.060501 0.229007 0.216870 O\n0.400499 0.090238 0.073065 O\n0.900499 0.409762 0.926935 O\n0.599501 0.909762 0.926935 O\n0.099501 0.590238 0.073065 O\n0.371204 0.957255 0.393689 O\n0.871204 0.542745 0.606311 O\n0.628796 0.042745 0.606311 O\n0.128796 0.457255 0.393689 O\n0.251713 0.904339 0.639187 O\n0.751713 0.595661 0.360813 O\n0.748287 0.095661 0.360813 O\n0.248287 0.404339 0.639187 O\n0.407724 0.070675 0.658556 O\n0.907724 0.429325 0.341444 O\n0.592276 0.929325 0.341444 O\n0.092276 0.570675 0.658556 O\n0.399408 0.693853 0.687641 O\n0.899408 0.806147 0.312359 O\n0.600592 0.306147 0.312359 O\n0.100592 0.193853 0.687641 O\n0.462675 0.463629 0.502071 O\n0.962675 0.036371 0.497929 O\n0.537325 0.536371 0.497929 O\n0.037325 0.963629 0.502071 O\n0.225540 0.996867 0.955330 O\n0.725540 0.503133 0.044670 O\n0.774460 0.003133 0.044670 O\n0.274460 0.496867 0.955330 O\n0.478921 0.453300 0.057963 O\n0.978921 0.046700 0.942037 O\n0.521079 0.546700 0.942037 O\n0.021079 0.953300 0.057963 O\n",
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"volume": 937.4005536795379,
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"formula_full": "Sr4 Cr8 O40",
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},
{
"id": "mp-1519555",
"created_at": "2022-09-04T14:47:24.159451Z",
"structure_string": "Sr8 Ce4 Zr4 O24\n1.0\n8.533818 0.000000 0.000000\n0.000000 8.533818 0.000000\n0.000000 0.000000 8.533818\nSr Ce Zr O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 -0.000000 0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.750000 0.250000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.250000 0.250000 Zr\n0.250000 0.750000 0.750000 Zr\n0.750000 0.250000 0.750000 Zr\n0.750000 0.750000 0.250000 Zr\n0.212983 0.294331 0.492568 O\n0.212983 0.705669 0.507432 O\n0.787017 0.294331 0.507432 O\n0.787017 0.705669 0.492568 O\n0.294331 0.492568 0.212983 O\n0.705669 0.507432 0.212983 O\n0.294331 0.507432 0.787017 O\n0.705669 0.492568 0.787017 O\n0.492568 0.212983 0.294331 O\n0.507432 0.212983 0.705669 O\n0.507432 0.787017 0.294331 O\n0.492568 0.787017 0.705669 O\n0.287017 0.205669 0.007432 O\n0.287017 0.794331 0.992568 O\n0.712983 0.205669 0.992568 O\n0.712983 0.794331 0.007432 O\n0.205669 0.007432 0.287017 O\n0.794331 0.992568 0.287017 O\n0.205669 0.992568 0.712983 O\n0.794331 0.007432 0.712983 O\n0.007432 0.287017 0.205669 O\n0.992568 0.287017 0.794331 O\n0.992568 0.712983 0.205669 O\n0.007432 0.712983 0.794331 O\n",
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{
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"structure_string": "K5 Na3 Ta4 Nb4 O24\n1.0\n5.689734 5.689707 0.000000\n-5.689734 5.689707 0.000000\n0.000000 0.000037 8.045873\nK Na Ta Nb O\n5 3 4 4 24\ndirect\n0.749914 0.749914 0.250089 K\n0.250084 0.749910 0.250094 K\n0.749910 0.250084 0.250094 K\n0.250087 0.250087 0.250097 K\n0.250087 0.250087 0.749914 K\n0.749987 0.749987 0.749987 Na\n0.250015 0.749986 0.749987 Na\n0.749986 0.250015 0.749987 Na\n0.999761 0.999761 0.999282 Ta\n0.999755 0.999755 0.500726 Ta\n0.500243 0.999755 0.999264 Ta\n0.999755 0.500243 0.999264 Ta\n0.500231 0.999766 0.500692 Nb\n0.999766 0.500231 0.500692 Nb\n0.500232 0.500232 0.999296 Nb\n0.500240 0.500240 0.500719 Nb\n0.999932 0.750155 0.998526 O\n0.999938 0.751069 0.501467 O\n0.500066 0.751069 0.998530 O\n0.500063 0.750151 0.501455 O\n0.999291 0.249842 0.999153 O\n0.999290 0.248919 0.500840 O\n0.500708 0.248918 0.999161 O\n0.500704 0.249844 0.500829 O\n0.750155 0.999932 0.998526 O\n0.751069 0.999938 0.501467 O\n0.249842 0.999291 0.999153 O\n0.248919 0.999290 0.500840 O\n0.751069 0.500066 0.998530 O\n0.750151 0.500063 0.501455 O\n0.248918 0.500708 0.999161 O\n0.249844 0.500704 0.500829 O\n0.999930 0.999930 0.249833 O\n0.999304 0.999304 0.750150 O\n0.500068 0.999931 0.248908 O\n0.500695 0.999305 0.751055 O\n0.999931 0.500068 0.248908 O\n0.999305 0.500695 0.751055 O\n0.500065 0.500065 0.249836 O\n0.500690 0.500690 0.750147 O\n",
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{
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"structure_string": "Li8 Co4 P8 O28\n1.0\n-0.001698 4.815739 0.000225\n-2.157469 0.002010 11.594390\n9.179299 -0.003877 0.853716\nLi Co P O\n8 4 8 28\ndirect\n0.727657 0.160618 0.646850 Li\n0.229199 0.162069 0.146061 Li\n0.244919 0.309590 0.849085 Li\n0.747213 0.307046 0.346883 Li\n0.761442 0.674472 0.150005 Li\n0.271265 0.665076 0.647014 Li\n0.253470 0.806523 0.346897 Li\n0.754946 0.806280 0.846182 Li\n0.250248 0.995665 0.749462 Co\n0.251671 0.497064 0.248292 Co\n0.751897 0.997883 0.249119 Co\n0.751803 0.496564 0.748198 Co\n0.288557 0.871197 0.052962 P\n0.786711 0.872444 0.552747 P\n0.283583 0.632169 0.946133 P\n0.782716 0.632948 0.446725 P\n0.714791 0.372699 0.053549 P\n0.213840 0.372406 0.553770 P\n0.720610 0.133379 0.947316 P\n0.218953 0.132862 0.446938 P\n0.108127 0.752993 0.999671 O\n0.607424 0.753183 0.501478 O\n0.893942 0.253613 0.001314 O\n0.392485 0.252794 0.502194 O\n0.090349 0.097359 0.587383 O\n0.593643 0.099015 0.088625 O\n0.578736 0.402893 0.911925 O\n0.078870 0.402036 0.411693 O\n0.410837 0.599302 0.088103 O\n0.911321 0.599085 0.587985 O\n0.921783 0.901716 0.410841 O\n0.424767 0.902783 0.912092 O\n0.505115 0.663180 0.834706 O\n0.002994 0.663620 0.334690 O\n0.502884 0.838243 0.167194 O\n0.000065 0.840797 0.667960 O\n0.499097 0.162786 0.835359 O\n0.997842 0.162767 0.334572 O\n0.501677 0.340703 0.168512 O\n0.000768 0.340637 0.668902 O\n0.062514 0.556442 0.875506 O\n0.559627 0.557639 0.377022 O\n0.073221 0.953057 0.119302 O\n0.570390 0.954337 0.617290 O\n0.946145 0.058920 0.878826 O\n0.443112 0.058192 0.376871 O\n0.932705 0.454135 0.117964 O\n0.431219 0.454392 0.617987 O\n",
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"formula_full": "Li8 Co4 P8 O28",
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{
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