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{
"id": "mp-780531",
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"structure_string": "Na12 Mn12 O32\n1.0\n8.769133 0.000000 0.000000\n0.000000 8.769133 0.000000\n0.000000 0.000000 8.769133\nNa Mn O\n12 12 32\ndirect\n0.013360 0.013360 0.013360 Na\n0.125000 0.875000 0.375000 Na\n0.236640 0.236640 0.236640 Na\n0.263360 0.763360 0.736640 Na\n0.375000 0.125000 0.875000 Na\n0.486640 0.986640 0.513360 Na\n0.513360 0.486640 0.986640 Na\n0.625000 0.625000 0.625000 Na\n0.736640 0.263360 0.763360 Na\n0.763360 0.736640 0.263360 Na\n0.875000 0.375000 0.125000 Na\n0.986640 0.513360 0.486640 Na\n0.104136 0.145864 0.625000 Mn\n0.125000 0.395864 0.854136 Mn\n0.145864 0.625000 0.104136 Mn\n0.354136 0.375000 0.604136 Mn\n0.375000 0.604136 0.354136 Mn\n0.395864 0.854136 0.125000 Mn\n0.604136 0.354136 0.375000 Mn\n0.625000 0.104136 0.145864 Mn\n0.645864 0.875000 0.895864 Mn\n0.854136 0.125000 0.395864 Mn\n0.875000 0.895864 0.645864 Mn\n0.895864 0.645864 0.875000 Mn\n0.069282 0.141661 0.406813 O\n0.093187 0.930718 0.641661 O\n0.120284 0.620284 0.879716 O\n0.141661 0.406813 0.069282 O\n0.108339 0.180718 0.843187 O\n0.129716 0.370284 0.629716 O\n0.156813 0.608339 0.319282 O\n0.180718 0.843187 0.108339 O\n0.319282 0.156813 0.608339 O\n0.343187 0.391661 0.819282 O\n0.370284 0.629716 0.129716 O\n0.391661 0.819282 0.343187 O\n0.358339 0.593187 0.569282 O\n0.379716 0.379716 0.379716 O\n0.406813 0.069282 0.141661 O\n0.430718 0.858339 0.906813 O\n0.569282 0.358339 0.593187 O\n0.593187 0.569282 0.358339 O\n0.620284 0.879716 0.120284 O\n0.641661 0.093187 0.930718 O\n0.608339 0.319282 0.156813 O\n0.629716 0.129716 0.370284 O\n0.656813 0.891661 0.680718 O\n0.680718 0.656813 0.891661 O\n0.819282 0.343187 0.391661 O\n0.843187 0.108339 0.180718 O\n0.870284 0.870284 0.870284 O\n0.891661 0.680718 0.656813 O\n0.858339 0.906813 0.430718 O\n0.879716 0.120284 0.620284 O\n0.906813 0.430718 0.858339 O\n0.930718 0.641661 0.093187 O\n",
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"formula_full": "Na12 Mn12 O32",
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{
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"created_at": "2022-09-04T14:40:35.586629Z",
"structure_string": "Mn1 Al1 Pt2\n1.0\n0.000000 3.101178 3.101178\n3.101178 0.000000 3.101178\n3.101178 3.101178 0.000000\nMn Al Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
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"density": 13.142004053655166,
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"formula_full": "Mn1 Al1 Pt2",
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{
"id": "mp-1220603",
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"structure_string": "Nd4 Fe29 Si5\n1.0\n6.417720 0.000000 0.000000\n0.857287 6.399174 0.000000\n1.828725 1.468325 12.593427\nNd Fe Si\n4 29 5\ndirect\n0.345298 0.346759 0.673470 Nd\n0.347810 0.344219 0.173032 Nd\n0.652190 0.655781 0.826968 Nd\n0.654702 0.653241 0.326530 Nd\n0.287246 0.707506 0.999666 Fe\n0.286887 0.714075 0.499914 Fe\n0.999805 0.291411 0.856348 Fe\n0.000341 0.287265 0.356066 Fe\n0.713759 0.000283 0.643153 Fe\n0.716667 0.999777 0.141573 Fe\n0.999659 0.712735 0.643934 Fe\n0.000195 0.708589 0.143652 Fe\n0.283333 0.000223 0.858427 Fe\n0.286241 0.999717 0.356847 Fe\n0.712754 0.292494 0.000334 Fe\n0.713113 0.285925 0.500086 Fe\n0.661598 0.661523 0.577418 Fe\n0.664050 0.665943 0.075368 Fe\n0.150614 0.664716 0.832167 Fe\n0.154268 0.662152 0.330756 Fe\n0.659780 0.160446 0.829849 Fe\n0.660899 0.154232 0.330181 Fe\n0.335950 0.334057 0.924632 Fe\n0.338402 0.338477 0.422582 Fe\n0.845732 0.337848 0.669244 Fe\n0.849386 0.335284 0.167833 Fe\n0.339101 0.845768 0.669819 Fe\n0.340220 0.839554 0.170151 Fe\n0.999235 0.999338 0.750188 Fe\n0.000765 0.000662 0.249812 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Si\n0.101234 0.101125 0.550604 Si\n0.108523 0.080702 0.054204 Si\n0.891477 0.919298 0.945796 Si\n0.898766 0.898875 0.449396 Si\n",
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"elements": [
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"formula_full": "Nd4 Fe29 Si5",
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{
"id": "mp-1007821",
"created_at": "2022-09-04T14:40:35.311677Z",
"structure_string": "Ga1 Co2 Ni1\n1.0\n0.000000 2.841284 2.841284\n2.841284 0.000000 2.841284\n2.841284 2.841284 0.000000\nGa Co Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.500000 Ni\n",
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"formula_full": "Ga1 Co2 Ni1",
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{
"id": "mp-1519756",
"created_at": "2022-09-04T14:40:35.326709Z",
"structure_string": "K1 Sr1 Nd1 Mn1 O6\n1.0\n0.000000 -4.219177 -4.219177\n4.219177 -0.000000 -4.219177\n4.219177 -4.219177 0.000000\nK Sr Nd Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Nd\n-0.000000 -0.000000 0.000000 Mn\n0.773729 0.226271 0.226271 O\n0.226271 0.773729 0.773729 O\n0.773729 0.226271 0.773729 O\n0.226271 0.773729 0.226271 O\n0.773729 0.773729 0.226271 O\n0.226271 0.226271 0.773729 O\n",
"nsites": 10,
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"formula_full": "K1 Sr1 Nd1 Mn1 O6",
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"spacegroup": 216
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{
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"structure_string": "Nb3 Fe1\n1.0\n0.000000 3.189671 3.189671\n3.189671 0.000000 3.189671\n3.189671 3.189671 0.000000\nNb Fe\n3 1\ndirect\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Fe\n",
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{
"id": "mp-1188187",
"created_at": "2022-09-04T14:40:34.428900Z",
"structure_string": "Li6 Zn4 Sn8\n1.0\n2.275415 -3.941135 0.000000\n2.275415 3.941135 0.000000\n0.000000 0.000000 22.218388\nLi Zn Sn\n6 4 8\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.333333 0.666667 0.392260 Li\n0.666667 0.333333 0.607740 Li\n0.666667 0.333333 0.892260 Li\n0.333333 0.666667 0.107740 Li\n0.333333 0.666667 0.845447 Zn\n0.666667 0.333333 0.154553 Zn\n0.666667 0.333333 0.345447 Zn\n0.333333 0.666667 0.654553 Zn\n0.333333 0.666667 0.970714 Sn\n0.666667 0.333333 0.029286 Sn\n0.666667 0.333333 0.470714 Sn\n0.333333 0.666667 0.529286 Sn\n0.000000 0.000000 0.316591 Sn\n0.000000 0.000000 0.683409 Sn\n0.000000 0.000000 0.816591 Sn\n0.000000 0.000000 0.183409 Sn\n",
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{
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"structure_string": "Ce6 Sn26 Ir8\n1.0\n9.810841 0.000000 0.000000\n0.000000 9.810841 0.000000\n0.000000 0.000000 9.810841\nCe Sn Ir\n6 26 8\ndirect\n0.500000 0.000000 0.750000 Ce\n0.000000 0.250000 0.500000 Ce\n0.750000 0.500000 0.000000 Ce\n0.500000 0.000000 0.250000 Ce\n0.000000 0.750000 0.500000 Ce\n0.250000 0.500000 0.000000 Ce\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.652931 0.192763 0.500000 Sn\n0.807237 0.500000 0.652931 Sn\n0.500000 0.347069 0.807237 Sn\n0.347069 0.807237 0.500000 Sn\n0.192763 0.500000 0.347069 Sn\n0.500000 0.652931 0.192763 Sn\n0.652931 0.807237 0.500000 Sn\n0.807237 0.500000 0.347069 Sn\n0.347069 0.192763 0.500000 Sn\n0.192763 0.500000 0.652931 Sn\n0.500000 0.652931 0.807237 Sn\n0.500000 0.347069 0.192763 Sn\n0.152931 0.000000 0.692763 Sn\n0.307237 0.152931 0.000000 Sn\n0.000000 0.307237 0.847069 Sn\n0.847069 0.000000 0.307237 Sn\n0.692763 0.847069 0.000000 Sn\n0.000000 0.692763 0.152931 Sn\n0.152931 0.000000 0.307237 Sn\n0.307237 0.847069 0.000000 Sn\n0.847069 0.000000 0.692763 Sn\n0.692763 0.152931 0.000000 Sn\n0.000000 0.307237 0.152931 Sn\n0.000000 0.692763 0.847069 Sn\n0.750000 0.250000 0.750000 Ir\n0.250000 0.750000 0.250000 Ir\n0.750000 0.750000 0.250000 Ir\n0.250000 0.250000 0.750000 Ir\n0.250000 0.750000 0.750000 Ir\n0.750000 0.250000 0.250000 Ir\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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"formula_full": "Ce6 Sn26 Ir8",
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{
"id": "mp-1274535",
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"structure_string": "Mn4 Cu2 O8\n1.0\n1.594775 4.864083 3.050319\n-5.117498 0.117801 3.050309\n3.522520 -4.981588 -0.000358\nMn Cu O\n4 2 8\ndirect\n0.000025 0.499973 0.999965 Mn\n0.000026 0.499972 0.500034 Mn\n0.000012 0.000064 0.500038 Mn\n0.499940 0.499990 0.999965 Mn\n0.374800 0.125199 0.250001 Cu\n0.625179 0.874821 0.749998 Cu\n0.216302 0.741452 0.478868 O\n0.241478 0.716296 0.978883 O\n0.237442 0.262576 0.521132 O\n0.237429 0.262560 0.978874 O\n0.762549 0.737432 0.478862 O\n0.762564 0.737448 0.021133 O\n0.783706 0.258523 0.521124 O\n0.758547 0.283696 0.021126 O\n",
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{
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"structure_string": "Y1 Al6 Cu6\n1.0\n-2.543771 4.289543 4.345383\n2.543771 -4.289543 4.345383\n2.543771 4.289543 -4.345383\nY Al Cu\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.349062 0.349062 0.000000 Al\n0.650938 0.650938 0.000000 Al\n0.653872 0.000000 0.653872 Al\n0.346128 0.000000 0.346128 Al\n0.796506 0.296506 0.500000 Al\n0.203494 0.703494 0.500000 Al\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.228332 0.500000 0.728332 Cu\n0.771668 0.500000 0.271668 Cu\n",
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{
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"elements": [
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}
]
}