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{
"id": "mp-684805",
"created_at": "2022-09-04T14:45:10.893904Z",
"structure_string": "Mn28 Sb26\n1.0\n3.560844 8.319984 0.000000\n-3.560844 8.319984 0.000000\n0.000000 5.055768 17.906389\nMn Sb\n28 26\ndirect\n0.424838 0.419464 0.884095 Mn\n0.804706 0.809924 0.963539 Mn\n0.195294 0.190076 0.036461 Mn\n0.117997 0.112803 0.922196 Mn\n0.575162 0.580536 0.115905 Mn\n0.500000 0.500000 0.000000 Mn\n0.958578 0.967685 0.192264 Mn\n0.882003 0.887197 0.077804 Mn\n0.346524 0.345942 0.271293 Mn\n0.273865 0.270220 0.154536 Mn\n0.729780 0.726135 0.345464 Mn\n0.654058 0.653476 0.228707 Mn\n0.112803 0.117997 0.422196 Mn\n0.032315 0.041422 0.307736 Mn\n0.665634 0.334366 0.250000 Mn\n0.500000 0.500000 0.500000 Mn\n0.419464 0.424838 0.384095 Mn\n0.887197 0.882003 0.577804 Mn\n0.809924 0.804706 0.463539 Mn\n0.270220 0.273865 0.654536 Mn\n0.190076 0.195294 0.536461 Mn\n0.653476 0.654058 0.728707 Mn\n0.580536 0.575162 0.615905 Mn\n0.041422 0.032315 0.807736 Mn\n0.967685 0.958578 0.692264 Mn\n0.334366 0.665634 0.750000 Mn\n0.345942 0.346524 0.771293 Mn\n0.726135 0.729780 0.845464 Mn\n0.436742 0.102281 0.903996 Sb\n0.821095 0.487166 0.981249 Sb\n0.796203 0.128184 0.941512 Sb\n0.203797 0.871816 0.058488 Sb\n0.178905 0.512834 0.018751 Sb\n0.589032 0.262087 0.137087 Sb\n0.563258 0.897719 0.096004 Sb\n0.973968 0.642666 0.212018 Sb\n0.964582 0.282086 0.167821 Sb\n0.357334 0.026032 0.287982 Sb\n0.312040 0.687960 0.250000 Sb\n0.737913 0.410968 0.362913 Sb\n0.717914 0.035418 0.332179 Sb\n0.128184 0.796203 0.441512 Sb\n0.102281 0.436742 0.403996 Sb\n0.512834 0.178905 0.518751 Sb\n0.487166 0.821095 0.481249 Sb\n0.897719 0.563258 0.596004 Sb\n0.871816 0.203797 0.558488 Sb\n0.282086 0.964582 0.667821 Sb\n0.262087 0.589032 0.637087 Sb\n0.687960 0.312040 0.750000 Sb\n0.642666 0.973968 0.712018 Sb\n0.035418 0.717914 0.832179 Sb\n0.026032 0.357334 0.787982 Sb\n0.410968 0.737913 0.862913 Sb\n",
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"spacegroup": 15
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{
"id": "mp-680956",
"created_at": "2022-09-04T14:40:11.655519Z",
"structure_string": "Gd12 Ta8 Al86\n1.0\n5.457498 -9.452665 0.000000\n5.457498 9.452665 0.000000\n0.000000 0.000000 17.261090\nGd Ta Al\n12 8 86\ndirect\n0.529977 0.000000 0.094896 Gd\n0.529977 0.529977 0.594896 Gd\n0.529977 0.529977 0.905104 Gd\n0.470023 0.000000 0.905104 Gd\n0.470023 0.470023 0.405104 Gd\n0.000000 0.470023 0.594896 Gd\n0.470023 0.470023 0.094896 Gd\n0.470023 0.000000 0.594896 Gd\n0.000000 0.529977 0.094896 Gd\n0.529977 0.000000 0.405104 Gd\n0.000000 0.529977 0.405104 Gd\n0.000000 0.470023 0.905104 Gd\n0.727828 0.000000 0.250000 Ta\n0.727828 0.727828 0.750000 Ta\n0.272172 0.000000 0.750000 Ta\n0.000000 0.727828 0.250000 Ta\n0.000000 0.000000 0.000000 Ta\n0.272172 0.272172 0.250000 Ta\n0.000000 0.272172 0.750000 Ta\n0.000000 0.000000 0.500000 Ta\n0.763044 0.604916 0.336852 Al\n0.236956 0.841873 0.336852 Al\n0.753164 0.246836 0.500000 Al\n0.553714 0.404357 0.250000 Al\n0.745131 0.745131 0.030171 Al\n0.493671 0.246836 0.500000 Al\n0.236956 0.841873 0.163148 Al\n0.850644 0.404357 0.750000 Al\n0.395084 0.236956 0.836852 Al\n0.753164 0.506329 0.500000 Al\n0.158688 0.000000 0.615347 Al\n0.604916 0.841873 0.836852 Al\n0.841312 0.000000 0.384653 Al\n0.745131 0.000000 0.530171 Al\n0.604916 0.763044 0.336852 Al\n0.000000 0.158688 0.884653 Al\n0.000000 0.254869 0.030171 Al\n0.246836 0.753164 0.500000 Al\n0.763044 0.158127 0.663148 Al\n0.333333 0.666667 0.374380 Al\n0.148795 0.000000 0.250000 Al\n0.604916 0.763044 0.163148 Al\n0.158688 0.000000 0.884653 Al\n0.333333 0.666667 0.874380 Al\n0.149356 0.595643 0.250000 Al\n0.841312 0.000000 0.115347 Al\n0.763044 0.158127 0.836852 Al\n0.604916 0.841873 0.663148 Al\n0.493671 0.246836 0.000000 Al\n0.841873 0.236956 0.163148 Al\n0.000000 0.158688 0.615347 Al\n0.254869 0.254869 0.530171 Al\n0.745131 0.000000 0.969829 Al\n0.753164 0.246836 0.000000 Al\n0.753164 0.506329 0.000000 Al\n0.446286 0.850644 0.250000 Al\n0.000000 0.745131 0.969829 Al\n0.395084 0.236956 0.663148 Al\n0.000000 0.254869 0.469829 Al\n0.506329 0.753164 0.000000 Al\n0.333333 0.666667 0.125620 Al\n0.404357 0.850644 0.750000 Al\n0.246836 0.493671 0.500000 Al\n0.254869 0.000000 0.469829 Al\n0.000000 0.841312 0.115347 Al\n0.158688 0.158688 0.384653 Al\n0.246836 0.753164 0.000000 Al\n0.595643 0.149356 0.250000 Al\n0.395084 0.158127 0.163148 Al\n0.149356 0.553714 0.750000 Al\n0.158127 0.395084 0.163148 Al\n0.553714 0.149356 0.750000 Al\n0.395084 0.158127 0.336852 Al\n0.158127 0.763044 0.836852 Al\n0.841873 0.604916 0.836852 Al\n0.841873 0.236956 0.336852 Al\n0.158127 0.395084 0.336852 Al\n0.666667 0.333333 0.374380 Al\n0.666667 0.333333 0.125620 Al\n0.236956 0.395084 0.663148 Al\n0.745131 0.745131 0.469829 Al\n0.000000 0.745131 0.530171 Al\n0.850644 0.446286 0.250000 Al\n0.666667 0.333333 0.874380 Al\n0.841312 0.841312 0.884653 Al\n0.841312 0.841312 0.615347 Al\n0.666667 0.333333 0.625620 Al\n0.246836 0.493671 0.000000 Al\n0.404357 0.553714 0.250000 Al\n0.236956 0.395084 0.836852 Al\n0.148795 0.148795 0.750000 Al\n0.851205 0.000000 0.750000 Al\n0.763044 0.604916 0.163148 Al\n0.841873 0.604916 0.663148 Al\n0.333333 0.666667 0.625620 Al\n0.158127 0.763044 0.663148 Al\n0.254869 0.000000 0.030171 Al\n0.595643 0.446286 0.750000 Al\n0.158688 0.158688 0.115347 Al\n0.000000 0.851205 0.750000 Al\n0.000000 0.841312 0.384653 Al\n0.000000 0.148795 0.250000 Al\n0.254869 0.254869 0.969829 Al\n0.506329 0.753164 0.500000 Al\n0.446286 0.595643 0.750000 Al\n0.851205 0.851205 0.250000 Al\n",
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"elements": [
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"formula_full": "Gd12 Ta8 Al86",
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"energy": -616.16949949,
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{
"id": "mp-1228492",
"created_at": "2022-09-04T14:42:51.273134Z",
"structure_string": "Ca8 Fe16 Cu8 O40\n1.0\n0.000000 -6.078281 0.000000\n-5.265764 -3.039141 -0.006874\n-0.034226 0.000000 -27.377023\nCa Fe Cu O\n8 16 8 40\ndirect\n0.170160 0.497017 0.145714 Ca\n0.665959 0.502031 0.349624 Ca\n0.832011 0.502031 0.849624 Ca\n0.332823 0.497017 0.645714 Ca\n0.839559 0.161901 0.151605 Ca\n0.999159 0.839388 0.351698 Ca\n0.161454 0.839388 0.851698 Ca\n0.998540 0.161901 0.651605 Ca\n0.668743 0.997217 0.250379 Fe\n0.334040 0.997217 0.750379 Fe\n0.335734 0.494478 0.458239 Fe\n0.827223 0.506556 0.042213 Fe\n0.666222 0.506556 0.542213 Fe\n0.169788 0.494478 0.958239 Fe\n0.006985 0.166284 0.458043 Fe\n0.172251 0.835812 0.041949 Fe\n0.991937 0.835812 0.541949 Fe\n0.826731 0.166284 0.958043 Fe\n0.338136 0.165645 0.363582 Fe\n0.502501 0.836808 0.137651 Fe\n0.660690 0.836808 0.637651 Fe\n0.496219 0.165645 0.863582 Fe\n0.168166 0.501992 0.253375 Fe\n0.329843 0.501992 0.753375 Fe\n0.662777 0.835499 0.455610 Cu\n0.504146 0.162394 0.044557 Cu\n0.333460 0.162394 0.544557 Cu\n0.501724 0.835499 0.955610 Cu\n0.165222 0.001053 0.250473 Cu\n0.833725 0.001053 0.750473 Cu\n0.669881 0.500508 0.245513 Cu\n0.829611 0.500508 0.745513 Cu\n0.499208 0.336918 0.209801 O\n0.837347 0.661399 0.290424 O\n0.501254 0.661399 0.790424 O\n0.163874 0.336918 0.709801 O\n0.668082 0.472788 0.462823 O\n0.135797 0.532026 0.037312 O\n0.332177 0.532026 0.537312 O\n0.859130 0.472788 0.962823 O\n0.497092 0.843709 0.208327 O\n0.344669 0.171786 0.293439 O\n0.483545 0.171786 0.793439 O\n0.659199 0.843709 0.708327 O\n0.322723 0.680905 0.290286 O\n0.021707 0.317669 0.210124 O\n0.660624 0.317669 0.710124 O\n0.996372 0.680905 0.790286 O\n0.824754 0.158678 0.290820 O\n0.983852 0.819099 0.207969 O\n0.197049 0.819099 0.707969 O\n0.016569 0.158678 0.790820 O\n0.507621 0.125602 0.113959 O\n0.629857 0.870841 0.386053 O\n0.499302 0.870841 0.886053 O\n0.366777 0.125602 0.613959 O\n0.863300 0.167695 0.036010 O\n0.029637 0.832937 0.462574 O\n0.137426 0.832937 0.962574 O\n0.969005 0.167695 0.536010 O\n0.333563 0.466380 0.386861 O\n0.795630 0.532786 0.113518 O\n0.671584 0.532786 0.613518 O\n0.200056 0.466380 0.886861 O\n0.205644 0.834875 0.112969 O\n0.036254 0.171381 0.386880 O\n0.792365 0.171381 0.886880 O\n0.959482 0.834875 0.612969 O\n0.499961 0.805742 0.027087 O\n0.309377 0.192199 0.472536 O\n0.498424 0.192199 0.972536 O\n0.694296 0.805742 0.527087 O\n",
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{
"id": "mp-1213450",
"created_at": "2022-09-04T14:46:26.340581Z",
"structure_string": "Gd12 Lu8 Ga12 O48\n1.0\n-6.431156 6.431156 6.431156\n6.431156 -6.431156 6.431156\n6.431156 6.431156 -6.431156\nGd Lu Ga O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Gd\n0.750000 0.625000 0.875000 Gd\n0.750000 0.125000 0.375000 Gd\n0.125000 0.250000 0.375000 Gd\n0.375000 0.750000 0.125000 Gd\n0.250000 0.875000 0.625000 Gd\n0.875000 0.750000 0.625000 Gd\n0.625000 0.250000 0.875000 Gd\n0.375000 0.125000 0.250000 Gd\n0.625000 0.875000 0.750000 Gd\n0.125000 0.375000 0.750000 Gd\n0.875000 0.625000 0.250000 Gd\n0.000000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.250000 0.625000 0.375000 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.375000 0.625000 0.750000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.469693 0.371049 0.283936 O\n0.530307 0.628951 0.716064 O\n0.587113 0.185757 0.216064 O\n0.912887 0.128951 0.598644 O\n0.283936 0.469693 0.371049 O\n0.314243 0.912887 0.283936 O\n0.412887 0.814243 0.783936 O\n0.087113 0.871049 0.401356 O\n0.716064 0.530307 0.628951 O\n0.685757 0.087113 0.716064 O\n0.030307 0.314243 0.901356 O\n0.216064 0.587113 0.185757 O\n0.128951 0.030307 0.216064 O\n0.969693 0.685757 0.098644 O\n0.783936 0.412887 0.814243 O\n0.871049 0.969693 0.783936 O\n0.598644 0.912887 0.128951 O\n0.185757 0.469693 0.598644 O\n0.401356 0.087113 0.871049 O\n0.814243 0.530307 0.401356 O\n0.901356 0.030307 0.314243 O\n0.371049 0.587113 0.901356 O\n0.098644 0.969693 0.685757 O\n0.628951 0.412887 0.098644 O\n0.371049 0.283936 0.469693 O\n0.587113 0.901356 0.371049 O\n0.628951 0.716064 0.530307 O\n0.412887 0.098644 0.628951 O\n0.128951 0.598644 0.912887 O\n0.030307 0.216064 0.128951 O\n0.871049 0.401356 0.087113 O\n0.969693 0.783936 0.871049 O\n0.314243 0.901356 0.030307 O\n0.912887 0.283936 0.314243 O\n0.685757 0.098644 0.969693 O\n0.087113 0.716064 0.685757 O\n0.185757 0.216064 0.587113 O\n0.469693 0.598644 0.185757 O\n0.814243 0.783936 0.412887 O\n0.530307 0.401356 0.814243 O\n0.283936 0.314243 0.912887 O\n0.716064 0.685757 0.087113 O\n0.216064 0.128951 0.030307 O\n0.783936 0.871049 0.969693 O\n0.901356 0.371049 0.587113 O\n0.098644 0.628951 0.412887 O\n0.598644 0.185757 0.469693 O\n0.401356 0.814243 0.530307 O\n",
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{
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}