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{
"id": "mp-3268",
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{
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{
"id": "mp-13376",
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"structure_string": "Sm4 Zn4 Rh4\n1.0\n4.118619 0.000000 0.000000\n0.000000 7.053297 0.000000\n0.000000 0.000000 8.217947\nSm Zn Rh\n4 4 4\ndirect\n0.250000 0.537592 0.186364 Sm\n0.750000 0.462408 0.813636 Sm\n0.250000 0.037592 0.313636 Sm\n0.750000 0.962408 0.686364 Sm\n0.250000 0.138121 0.935952 Zn\n0.750000 0.861879 0.064048 Zn\n0.250000 0.638121 0.564048 Zn\n0.750000 0.361879 0.435952 Zn\n0.750000 0.742022 0.379402 Rh\n0.250000 0.257978 0.620598 Rh\n0.750000 0.242022 0.120598 Rh\n0.250000 0.757978 0.879402 Rh\n",
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"density": 8.866439922122693,
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"volume": 238.7300704350948,
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"formula_full": "Sm4 Zn4 Rh4",
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"updated_at": "2021-11-28T01:34:29.770000Z",
"spacegroup": 62
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{
"id": "mp-1183637",
"created_at": "2022-09-04T14:39:08.049860Z",
"structure_string": "Ca1 Eu1 Mg2\n1.0\n0.000000 4.135779 4.135779\n4.135779 0.000000 4.135779\n4.135779 4.135779 0.000000\nCa Eu Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
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"volume": 141.4822529103207,
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"formula_full": "Ca1 Eu1 Mg2",
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"spacegroup": 225
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{
"id": "mp-1863",
"created_at": "2022-09-04T14:39:08.072018Z",
"structure_string": "Si6 As6\n1.0\n1.848160 8.866450 0.000000\n-1.848160 8.866450 0.000000\n0.000000 3.887914 9.460132\nSi As\n6 6\ndirect\n0.136876 0.136876 0.590205 Si\n0.863124 0.863124 0.409795 Si\n0.231094 0.231094 0.700730 Si\n0.768906 0.768906 0.299270 Si\n0.565036 0.565036 0.908182 Si\n0.434964 0.434964 0.091818 Si\n0.142395 0.142395 0.945525 As\n0.857605 0.857605 0.054475 As\n0.176014 0.176014 0.338040 As\n0.823986 0.823986 0.661960 As\n0.545209 0.545209 0.685865 As\n0.454791 0.454791 0.314135 As\n",
"nsites": 12,
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"elements": [
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"density": 3.3101751996131403,
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"volume": 310.0391430166532,
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"formula_full": "Si6 As6",
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"updated_at": "2021-11-28T01:34:36.741000Z",
"spacegroup": 12
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{
"id": "mp-1021275",
"created_at": "2022-09-04T14:39:08.139614Z",
"structure_string": "Li2 Mg12 Cr2\n1.0\n5.065918 0.000000 0.000000\n0.000000 6.220335 0.000000\n0.000000 0.000000 10.852465\nLi Mg Cr\n2 12 2\ndirect\n0.000000 0.500000 0.330600 Li\n0.000000 0.000000 0.830600 Li\n0.000000 0.741755 0.086836 Mg\n0.000000 0.258245 0.086836 Mg\n0.000000 0.000000 0.332746 Mg\n0.500000 0.254486 0.415600 Mg\n0.500000 0.745514 0.415600 Mg\n0.500000 0.000000 0.166021 Mg\n0.000000 0.241755 0.586836 Mg\n0.000000 0.758245 0.586836 Mg\n0.000000 0.500000 0.832746 Mg\n0.500000 0.754486 0.915600 Mg\n0.500000 0.245514 0.915600 Mg\n0.500000 0.500000 0.666021 Mg\n0.500000 0.500000 0.165761 Cr\n0.500000 0.000000 0.665761 Cr\n",
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"elements": [
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"density": 1.9885611416251912,
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"volume": 341.97969776931035,
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"formula_full": "Li2 Mg12 Cr2",
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"spacegroup": 38
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{
"id": "mp-753770",
"created_at": "2022-09-04T14:39:08.149686Z",
"structure_string": "Li4 Fe2 P2 C2 O14\n1.0\n5.063027 0.000000 0.000000\n-0.470397 6.325674 0.000000\n-0.452052 -0.938807 8.442402\nLi Fe P C O\n4 2 2 2 14\ndirect\n0.249611 0.965603 0.270253 Li\n0.357141 0.483192 0.283991 Li\n0.642859 0.516808 0.716009 Li\n0.750389 0.034397 0.729747 Li\n0.190059 0.748163 0.849864 Fe\n0.809941 0.251837 0.150136 Fe\n0.288479 0.257537 0.922415 P\n0.711521 0.742463 0.077585 P\n0.256900 0.751662 0.559611 C\n0.743100 0.248338 0.440389 C\n0.025610 0.719601 0.616245 O\n0.174928 0.326194 0.085755 O\n0.116512 0.059184 0.842320 O\n0.285559 0.441481 0.817362 O\n0.296997 0.748940 0.413671 O\n0.418527 0.800040 0.052603 O\n0.543472 0.214408 0.329110 O\n0.456528 0.785592 0.670890 O\n0.581473 0.199960 0.947397 O\n0.703003 0.251060 0.586329 O\n0.714441 0.558519 0.182638 O\n0.825072 0.673806 0.914245 O\n0.974390 0.280399 0.383755 O\n0.883488 0.940816 0.157680 O\n",
"nsites": 24,
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"elements": [
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"density": 2.7600256831872807,
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"formula_full": "Li4 Fe2 P2 C2 O14",
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{
"id": "mp-1190701",
"created_at": "2022-09-04T14:39:08.177905Z",
"structure_string": "Ce2 Fe17 H3\n1.0\n4.787642 -4.301873 0.000000\n4.787642 4.301873 0.000000\n0.922249 0.000000 6.370014\nCe Fe H\n2 17 3\ndirect\n0.658875 0.658875 0.658875 Ce\n0.341125 0.341125 0.341125 Ce\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.716622 0.283378 0.000000 Fe\n0.000000 0.716622 0.283378 Fe\n0.283378 0.000000 0.716622 Fe\n0.000000 0.283378 0.716622 Fe\n0.716622 0.000000 0.283378 Fe\n0.283378 0.716622 0.000000 Fe\n0.343422 0.343422 0.846941 Fe\n0.846941 0.343422 0.343422 Fe\n0.343422 0.846941 0.343422 Fe\n0.656578 0.656578 0.153059 Fe\n0.153059 0.656578 0.656578 Fe\n0.656578 0.153059 0.656578 Fe\n0.904139 0.904139 0.904139 Fe\n0.095861 0.095861 0.095861 Fe\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n",
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{
"id": "mp-1196760",
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"structure_string": "Sc10 Si20 Rh8\n1.0\n12.418332 0.000000 0.000000\n0.000000 12.418332 0.000000\n0.000000 0.000000 4.063617\nSc Si Rh\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.675195 0.175195 0.500000 Sc\n0.324805 0.824805 0.500000 Sc\n0.175195 0.324805 0.500000 Sc\n0.824805 0.675195 0.500000 Sc\n0.886600 0.386600 0.500000 Sc\n0.113400 0.613400 0.500000 Sc\n0.386600 0.113400 0.500000 Sc\n0.613400 0.886600 0.500000 Sc\n0.565896 0.065896 0.000000 Si\n0.434104 0.934104 0.000000 Si\n0.065896 0.434104 0.000000 Si\n0.934104 0.565896 0.000000 Si\n0.663594 0.701104 0.000000 Si\n0.336406 0.298896 0.000000 Si\n0.163594 0.798896 0.000000 Si\n0.836406 0.201104 0.000000 Si\n0.298896 0.663594 0.000000 Si\n0.701104 0.336406 0.000000 Si\n0.201104 0.163594 0.000000 Si\n0.798896 0.836406 0.000000 Si\n0.652891 0.502769 0.500000 Si\n0.347109 0.497231 0.500000 Si\n0.152891 0.997231 0.500000 Si\n0.847109 0.002769 0.500000 Si\n0.497231 0.652891 0.500000 Si\n0.502769 0.347109 0.500000 Si\n0.002769 0.152891 0.500000 Si\n0.997231 0.847109 0.500000 Si\n0.745987 0.520810 0.000000 Rh\n0.254013 0.479190 0.000000 Rh\n0.245987 0.979190 0.000000 Rh\n0.754013 0.020810 0.000000 Rh\n0.479190 0.745987 0.000000 Rh\n0.520810 0.254013 0.000000 Rh\n0.020810 0.245987 0.000000 Rh\n0.979190 0.754013 0.000000 Rh\n",
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{
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"formula_full": "Nd6 Co58 Si8 B20",
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{
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}