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{
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{
"id": "mp-935811",
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"structure_string": "K1 Nb1 O3\n1.0\n4.057469 0.000000 0.000000\n0.000000 4.057469 0.000000\n0.000000 0.000000 4.057469\nK Nb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Nb\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-7250",
"created_at": "2022-09-04T14:43:14.577109Z",
"structure_string": "Nb6 Co7\n1.0\n8.839449 -2.448845 0.000000\n8.839449 2.448845 0.000000\n8.161031 0.000000 4.186916\nNb Co\n6 7\ndirect\n0.834619 0.834619 0.834619 Nb\n0.165381 0.165381 0.165381 Nb\n0.656240 0.656240 0.656240 Nb\n0.343760 0.343760 0.343760 Nb\n0.551126 0.551126 0.551126 Nb\n0.448874 0.448874 0.448874 Nb\n0.000000 0.000000 0.000000 Co\n0.910783 0.406331 0.910783 Co\n0.910783 0.910783 0.406331 Co\n0.406331 0.910783 0.910783 Co\n0.089217 0.593669 0.089217 Co\n0.089217 0.089217 0.593669 Co\n0.593669 0.089217 0.089217 Co\n",
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"formula_full": "Nb6 Co7",
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{
"id": "mp-977463",
"created_at": "2022-09-04T14:43:14.629119Z",
"structure_string": "Mg1 Mn1 Rh2\n1.0\n0.000000 3.074895 3.074895\n3.074895 0.000000 3.074895\n3.074895 3.074895 0.000000\nMg Mn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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"density": 8.140581695913577,
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"formula_full": "Mg1 Mn1 Rh2",
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{
"id": "mp-1097533",
"created_at": "2022-09-04T14:43:14.631472Z",
"structure_string": "V1 Sn1 Ru2\n1.0\n-4.637719 6.106793 9.901735\n4.637719 -6.106793 9.901735\n4.637719 6.106793 -9.901735\nV Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Sn\n0.000000 0.218826 0.218826 Ru\n0.000000 0.781174 0.781174 Ru\n",
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"volume": 1121.7315128706937,
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"spacegroup": 71
},
{
"id": "mp-1199352",
"created_at": "2022-09-04T14:43:14.643690Z",
"structure_string": "Sb4 Xe4 F28\n1.0\n11.233197 0.000000 0.000000\n0.000000 5.605943 0.000000\n0.000000 0.886182 11.416071\nSb Xe F\n4 4 28\ndirect\n0.488723 0.903053 0.771071 Sb\n0.988723 0.096947 0.728929 Sb\n0.511277 0.096947 0.228929 Sb\n0.011277 0.903053 0.271071 Sb\n0.731791 0.534774 0.972926 Xe\n0.231791 0.465226 0.527074 Xe\n0.268209 0.465226 0.027074 Xe\n0.768209 0.534774 0.472926 Xe\n0.880758 0.367780 0.026350 F\n0.380758 0.632220 0.473650 F\n0.119242 0.632220 0.973650 F\n0.619242 0.367780 0.526350 F\n0.422208 0.075314 0.637341 F\n0.922208 0.924686 0.862659 F\n0.577792 0.924686 0.362659 F\n0.077792 0.075314 0.137341 F\n0.369626 0.001842 0.875995 F\n0.869626 0.998158 0.624005 F\n0.630374 0.998158 0.124005 F\n0.130374 0.001842 0.375995 F\n0.556060 0.710984 0.917767 F\n0.056060 0.289016 0.582233 F\n0.443940 0.289016 0.082233 F\n0.943940 0.710984 0.417767 F\n0.617793 0.773214 0.688782 F\n0.117793 0.226786 0.811218 F\n0.382207 0.226786 0.311218 F\n0.882207 0.773214 0.188782 F\n0.395430 0.624457 0.750273 F\n0.895430 0.375543 0.749727 F\n0.604570 0.375543 0.249727 F\n0.104570 0.624457 0.250273 F\n0.587331 0.159631 0.812557 F\n0.087331 0.840369 0.687443 F\n0.412669 0.840369 0.187443 F\n0.912669 0.159631 0.312557 F\n",
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"formula_full": "Sb4 Xe4 F28",
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{
"id": "mp-1235174",
"created_at": "2022-09-04T14:43:14.652304Z",
"structure_string": "Li1 Eu2 Cr2 O8\n1.0\n6.025146 -0.081969 -1.738214\n-3.473888 4.921525 -1.733392\n-0.005485 -0.004219 6.247063\nLi Eu Cr O\n1 2 2 8\ndirect\n0.148824 0.855689 0.750172 Li\n0.127587 0.872790 0.249409 Eu\n0.859509 0.140929 0.750207 Eu\n0.385373 0.614249 0.749616 Cr\n0.623886 0.377351 0.250418 Cr\n0.811246 0.726179 0.457622 O\n0.355827 0.793472 0.581983 O\n0.729856 0.802940 0.936412 O\n0.787741 0.373853 0.071912 O\n0.626400 0.212070 0.428184 O\n0.197420 0.269812 0.563815 O\n0.206571 0.644874 0.916838 O\n0.275177 0.190790 0.043411 O\n",
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"formula_full": "Li1 Eu2 Cr2 O8",
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{
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"structure_string": "Na1 Tl3 O6\n1.0\n4.837010 -6.833503 0.000000\n4.837010 6.833503 0.000000\n0.000000 0.000000 36.471203\nNa Tl O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.244112 O\n0.000000 0.000000 0.755888 O\n0.282034 0.027815 0.000000 O\n0.717966 0.972185 0.000000 O\n0.027815 0.282034 0.000000 O\n0.972185 0.717966 0.000000 O\n",
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{
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"structure_string": "Mg6 Si8\n1.0\n1.813690 9.012438 0.000000\n-1.813690 9.012438 0.000000\n0.000000 4.265622 8.000237\nMg Si\n6 8\ndirect\n0.953462 0.953462 0.653285 Mg\n0.326485 0.326485 0.925360 Mg\n0.707773 0.707773 0.838867 Mg\n0.765394 0.765394 0.479690 Mg\n0.524156 0.524156 0.341159 Mg\n0.032313 0.032313 0.047882 Mg\n0.348100 0.348100 0.588492 Si\n0.393939 0.393939 0.271978 Si\n0.706291 0.706291 0.234695 Si\n0.600845 0.600845 0.539218 Si\n0.116626 0.116626 0.703266 Si\n0.860608 0.860608 0.134187 Si\n0.492175 0.492175 0.858835 Si\n0.158224 0.158224 0.129714 Si\n",
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{
"id": "mp-1276783",
"created_at": "2022-09-04T14:43:14.519833Z",
"structure_string": "Li8 Al8 Fe4 O24\n1.0\n2.504027 -4.328819 -0.011143\n4.925582 -0.036150 -0.005307\n-0.949977 1.645121 19.635485\nLi Al Fe O\n8 8 4 24\ndirect\n0.359642 0.001785 0.124782 Li\n0.124188 0.001448 0.374930 Li\n0.875250 0.001319 0.625112 Li\n0.637984 0.002388 0.875222 Li\n0.035607 0.691021 0.124297 Li\n0.774427 0.701753 0.374932 Li\n0.524450 0.700762 0.625116 Li\n0.274638 0.690896 0.875572 Li\n0.417525 0.664078 0.249997 Al\n0.167873 0.664393 0.500042 Al\n0.918076 0.664304 0.750028 Al\n0.670388 0.658486 0.000035 Al\n0.334625 0.330456 0.999994 Al\n0.089900 0.320198 0.249935 Al\n0.839981 0.320295 0.500028 Al\n0.589831 0.320289 0.750042 Al\n0.250406 0.999711 0.750424 Fe\n0.999677 0.999978 0.999973 Fe\n0.749938 0.999218 0.249518 Fe\n0.499874 0.000032 0.500038 Fe\n0.346281 0.671169 0.052152 O\n0.091737 0.668258 0.301805 O\n0.841970 0.668754 0.552044 O\n0.591781 0.669263 0.802288 O\n0.738730 0.669245 0.197689 O\n0.489366 0.668966 0.448050 O\n0.239656 0.668576 0.698181 O\n0.982757 0.671872 0.947769 O\n0.091398 0.986074 0.195718 O\n0.841709 0.986494 0.445835 O\n0.591663 0.986320 0.695952 O\n0.319592 0.989070 0.948968 O\n0.691066 0.989404 0.050976 O\n0.422043 0.986085 0.304037 O\n0.172054 0.986383 0.554251 O\n0.922414 0.986182 0.804255 O\n0.027701 0.334543 0.050347 O\n0.774665 0.333346 0.299397 O\n0.524990 0.333923 0.549747 O\n0.275315 0.334009 0.800002 O\n0.390476 0.334063 0.199957 O\n0.141332 0.334001 0.450352 O\n0.891641 0.333760 0.700562 O\n0.636499 0.335208 0.949649 O\n",
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{
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"structure_string": "Cd1 Hg1 Te2\n1.0\n7.793424 -2.353037 0.000000\n7.793424 2.353037 0.000000\n7.082981 0.000000 4.013180\nCd Hg Te\n1 1 2\ndirect\n0.999952 0.999952 0.999952 Cd\n0.500015 0.500015 0.500015 Hg\n0.124757 0.124757 0.124757 Te\n0.625276 0.625276 0.625276 Te\n",
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"formation_energy_per_atom": null,
"energy_uncorrected": -8.7311474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.71e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.257000Z",
"spacegroup": 160
}
]
}