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{
"id": "mp-980664",
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{
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"formula_full": "K4 Ni4 P4 H8 O20",
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},
{
"id": "mp-1032803",
"created_at": "2022-09-04T14:39:06.863172Z",
"structure_string": "Mg6 Mn1 Zn1 O8\n1.0\n8.600243 0.000000 0.000000\n0.000000 4.310000 0.000000\n0.000000 0.000000 4.310000\nMg Mn Zn O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.252236 0.000000 0.500000 Mg\n0.747764 0.000000 0.500000 Mg\n0.252236 0.500000 0.000000 Mg\n0.747764 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Zn\n0.254599 0.000000 0.000000 O\n0.745401 0.000000 0.000000 O\n0.249581 0.500000 0.500000 O\n0.750419 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"volume": 159.75897399229999,
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"formula_full": "Mg6 Mn1 Zn1 O8",
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"spacegroup": 123
},
{
"id": "mp-1218104",
"created_at": "2022-09-04T14:39:06.895950Z",
"structure_string": "Sr1 Pr3 Fe4 O12\n1.0\n7.856169 0.000000 0.000000\n0.000000 5.550273 0.000000\n0.000000 0.017326 5.611391\nSr Pr Fe O\n1 3 4 12\ndirect\n0.500000 0.494122 0.531212 Sr\n0.500000 0.013247 0.043116 Pr\n0.000000 0.507837 0.455287 Pr\n0.000000 0.992199 0.958967 Pr\n0.251320 0.499923 0.997234 Fe\n0.748928 0.001217 0.500785 Fe\n0.748680 0.499923 0.997234 Fe\n0.251072 0.001217 0.500785 Fe\n0.285632 0.204733 0.794482 O\n0.717856 0.279278 0.280767 O\n0.794784 0.783137 0.216125 O\n0.202928 0.715603 0.714256 O\n0.205216 0.783137 0.216125 O\n0.797072 0.715603 0.714256 O\n0.714368 0.204733 0.794482 O\n0.282144 0.279278 0.280767 O\n0.500000 0.581863 0.991815 O\n0.500000 0.941358 0.479514 O\n0.000000 0.423921 0.014815 O\n0.000000 0.077668 0.517977 O\n",
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"elements": [
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{
"id": "mp-1200667",
"created_at": "2022-09-04T14:39:06.913734Z",
"structure_string": "Co4 H36 C12 N28 O8\n1.0\n14.451310 0.000000 0.000000\n0.000000 6.489837 0.000000\n0.000000 0.759323 10.566064\nCo H C N O\n4 36 12 28 8\ndirect\n0.750321 0.474680 0.749247 Co\n0.250321 0.025320 0.250753 Co\n0.249679 0.525320 0.250753 Co\n0.749679 0.974680 0.749247 Co\n0.984551 0.347998 0.764598 H\n0.484551 0.152002 0.235402 H\n0.015449 0.652002 0.235402 H\n0.515449 0.847998 0.764598 H\n0.008982 0.099995 0.796490 H\n0.508982 0.400005 0.203510 H\n0.991018 0.900005 0.203510 H\n0.491018 0.599995 0.796490 H\n0.007809 0.726973 0.746178 H\n0.507809 0.773027 0.253822 H\n0.992191 0.273027 0.253822 H\n0.492191 0.226973 0.746178 H\n0.142316 0.447729 0.806722 H\n0.642316 0.052271 0.193278 H\n0.857684 0.552271 0.193278 H\n0.357684 0.947729 0.806722 H\n0.093293 0.297740 0.939915 H\n0.593293 0.202260 0.060085 H\n0.906707 0.702260 0.060085 H\n0.406707 0.797740 0.939915 H\n0.171961 0.180237 0.836162 H\n0.671961 0.319763 0.163838 H\n0.828039 0.819763 0.163838 H\n0.328039 0.680237 0.836162 H\n0.114571 0.095740 0.620678 H\n0.614571 0.404260 0.379322 H\n0.885429 0.904260 0.379322 H\n0.385429 0.595740 0.620678 H\n0.001550 0.186627 0.573040 H\n0.501550 0.313373 0.426960 H\n0.998450 0.813373 0.426960 H\n0.498450 0.686627 0.573040 H\n0.094196 0.367478 0.589078 H\n0.594196 0.132522 0.410922 H\n0.905804 0.632522 0.410922 H\n0.405804 0.867478 0.589078 H\n0.931261 0.724852 0.750079 C\n0.431261 0.775148 0.249921 C\n0.068739 0.275148 0.249921 C\n0.568739 0.224852 0.750079 C\n0.117116 0.295356 0.842053 C\n0.617116 0.204644 0.157947 C\n0.882884 0.704644 0.157947 C\n0.382884 0.795356 0.842053 C\n0.064036 0.220540 0.626113 C\n0.564036 0.279460 0.373887 C\n0.935964 0.779460 0.373887 C\n0.435964 0.720540 0.626113 C\n0.769967 0.242956 0.618912 N\n0.269967 0.257044 0.381088 N\n0.230033 0.757044 0.381088 N\n0.730033 0.742956 0.618912 N\n0.802427 0.257706 0.514151 N\n0.302427 0.242294 0.485849 N\n0.197573 0.742294 0.485849 N\n0.697573 0.757706 0.514151 N\n0.833342 0.271884 0.411687 N\n0.333342 0.228116 0.588313 N\n0.166658 0.728116 0.588313 N\n0.666658 0.771884 0.411687 N\n0.775640 0.207503 0.878249 N\n0.275640 0.292497 0.121751 N\n0.224360 0.792497 0.121751 N\n0.724360 0.707503 0.878249 N\n0.836568 0.196722 0.956432 N\n0.336568 0.303278 0.043568 N\n0.163432 0.803278 0.043568 N\n0.663432 0.696722 0.956432 N\n0.894914 0.186582 0.032772 N\n0.394914 0.313418 0.967228 N\n0.105086 0.813418 0.967228 N\n0.605086 0.686582 0.032772 N\n0.037966 0.238097 0.761286 N\n0.537966 0.261903 0.238714 N\n0.962034 0.761903 0.238714 N\n0.462034 0.738097 0.761286 N\n0.894027 0.546496 0.750896 O\n0.394027 0.953504 0.249104 O\n0.105973 0.453504 0.249104 O\n0.605973 0.046496 0.750896 O\n0.892337 0.898948 0.752938 O\n0.392337 0.601052 0.247062 O\n0.107663 0.101052 0.247062 O\n0.607663 0.398948 0.752938 O\n",
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],
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"density_atomic": 0.08880316176670087,
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"formula_full": "Co4 H36 C12 N28 O8",
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{
"id": "mp-756262",
"created_at": "2022-09-04T14:39:09.329734Z",
"structure_string": "K4 Li16 Cr4 O20\n1.0\n-0.980029 2.655811 4.841448\n-7.338310 -5.825011 -0.168797\n8.285357 -3.135196 5.240562\nK Li Cr O\n4 16 4 20\ndirect\n0.526078 0.916466 0.329261 K\n0.026077 0.416513 0.829253 K\n0.973959 0.583471 0.170714 K\n0.473970 0.083528 0.670747 K\n0.338723 0.778735 0.863687 Li\n0.838701 0.278752 0.363697 Li\n0.161289 0.721263 0.636310 Li\n0.661286 0.221260 0.136299 Li\n0.606696 0.939560 0.064295 Li\n0.106719 0.439570 0.564303 Li\n0.893279 0.560435 0.435702 Li\n0.393300 0.060441 0.935697 Li\n0.363987 0.265199 0.352110 Li\n0.863972 0.765178 0.852105 Li\n0.136027 0.234818 0.147887 Li\n0.636018 0.734796 0.647891 Li\n0.528171 0.650236 0.025452 Li\n0.028181 0.150241 0.525449 Li\n0.971819 0.849758 0.474546 Li\n0.471829 0.349760 0.974550 Li\n0.570960 0.438620 0.658977 Cr\n0.429011 0.561383 0.341121 Cr\n0.070958 0.938633 0.158924 Cr\n0.929044 0.061393 0.841067 Cr\n0.367772 0.591405 0.679006 O\n0.867754 0.091412 0.179018 O\n0.132238 0.908592 0.820976 O\n0.632242 0.408603 0.320994 O\n0.337276 0.086574 0.146765 O\n0.837265 0.586545 0.646737 O\n0.162702 0.413429 0.353250 O\n0.662721 0.913432 0.853229 O\n0.288295 0.784671 0.056693 O\n0.788312 0.284649 0.556678 O\n0.211679 0.715340 0.443313 O\n0.711704 0.215336 0.943318 O\n0.331697 0.284048 0.554245 O\n0.831748 0.784058 0.054267 O\n0.168264 0.215939 0.945733 O\n0.668246 0.715946 0.445743 O\n0.039386 0.950933 0.331849 O\n0.539437 0.450942 0.831769 O\n0.460598 0.549070 0.168219 O\n0.960611 0.049069 0.668152 O\n",
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{
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"structure_string": "Mn6 O7 F5\n1.0\n4.697247 0.000000 0.000000\n0.152869 5.580207 0.000000\n0.190242 0.546353 7.729421\nMn O F\n6 7 5\ndirect\n0.458941 0.487059 0.005909 Mn\n0.515751 0.844994 0.675007 Mn\n0.542946 0.177834 0.327733 Mn\n0.992480 0.323775 0.667722 Mn\n0.989833 0.658953 0.336702 Mn\n0.999080 0.007187 0.985726 Mn\n0.810331 0.376680 0.446459 O\n0.811236 0.035239 0.765281 O\n0.697772 0.207328 0.094961 O\n0.695677 0.874860 0.435303 O\n0.307372 0.460208 0.238356 O\n0.303945 0.794034 0.900852 O\n0.184682 0.285663 0.889685 O\n0.803693 0.712732 0.086715 F\n0.688348 0.523734 0.781576 F\n0.305864 0.141042 0.550071 F\n0.206340 0.628429 0.584275 F\n0.185710 0.960250 0.227666 F\n",
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"formula_full": "Mn6 O7 F5",
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{
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"structure_string": "Ca2 Zn1 Pb1\n1.0\n-6.245206 6.669501 9.428726\n6.245206 -6.669501 9.428726\n6.245206 6.669501 -9.428726\nCa Zn Pb\n2 1 1\ndirect\n0.000000 0.257838 0.257838 Ca\n0.000000 0.742162 0.742162 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
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{
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