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{
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{
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{
"id": "mp-570356",
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"structure_string": "Ca20 Ir4\n1.0\n6.799129 0.000000 0.000000\n0.000000 7.645396 0.000000\n0.000000 0.000000 15.778806\nCa Ir\n20 4\ndirect\n0.153448 0.093680 0.250000 Ca\n0.857666 0.192457 0.566578 Ca\n0.846552 0.906320 0.750000 Ca\n0.823261 0.466022 0.145032 Ca\n0.176739 0.533978 0.645032 Ca\n0.357666 0.307543 0.066578 Ca\n0.346552 0.593680 0.250000 Ca\n0.823261 0.466022 0.354968 Ca\n0.323261 0.033978 0.854968 Ca\n0.142334 0.807543 0.066578 Ca\n0.642334 0.692457 0.566578 Ca\n0.676739 0.966022 0.354968 Ca\n0.642334 0.692457 0.933422 Ca\n0.323261 0.033978 0.645032 Ca\n0.142334 0.807543 0.433422 Ca\n0.653448 0.406320 0.750000 Ca\n0.176739 0.533978 0.854968 Ca\n0.357666 0.307543 0.433422 Ca\n0.676739 0.966022 0.145032 Ca\n0.857666 0.192457 0.933422 Ca\n0.036160 0.239461 0.750000 Ir\n0.463840 0.739461 0.750000 Ir\n0.536160 0.260539 0.250000 Ir\n0.963840 0.760539 0.250000 Ir\n",
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"elements": [
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{
"id": "mp-4873",
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"structure_string": "Ce2 Te1 O2\n1.0\n-2.020550 2.020550 6.424984\n2.020550 -2.020550 6.424984\n2.020550 2.020550 -6.424984\nCe Te O\n2 1 2\ndirect\n0.656055 0.656055 0.000000 Ce\n0.343945 0.343945 0.000000 Ce\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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"formula_full": "Ce2 Te1 O2",
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{
"id": "mp-11675",
"created_at": "2022-09-04T14:39:46.462286Z",
"structure_string": "Nb3 Te6\n1.0\n1.835706 7.476213 0.000000\n-1.835706 7.476213 0.000000\n0.000000 3.443522 8.905373\nNb Te\n3 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.362282 0.362282 0.288022 Nb\n0.637718 0.637718 0.711978 Nb\n0.351974 0.351974 0.010982 Te\n0.648026 0.648026 0.989018 Te\n0.704388 0.704388 0.382294 Te\n0.295612 0.295612 0.617706 Te\n0.005155 0.005155 0.691812 Te\n0.994845 0.994845 0.308188 Te\n",
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"formula_full": "Nb3 Te6",
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"formula_anonymous": "AB2",
"energy": -55.84570368,
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{
"id": "mp-20105",
"created_at": "2022-09-04T14:39:43.536808Z",
"structure_string": "Li2 In2 Mo4 O16\n1.0\n5.852552 4.834435 0.000000\n-5.852552 4.834435 0.000000\n0.000000 0.156485 5.091045\nLi In Mo O\n2 2 4 16\ndirect\n0.584599 0.415401 0.250000 Li\n0.415401 0.584599 0.750000 Li\n0.908193 0.091807 0.750000 In\n0.091807 0.908193 0.250000 In\n0.572998 0.890936 0.249994 Mo\n0.109064 0.427002 0.250006 Mo\n0.427002 0.109064 0.750006 Mo\n0.890936 0.572998 0.749994 Mo\n0.435162 0.316694 0.593404 O\n0.683306 0.564838 0.906596 O\n0.444751 0.832051 0.956782 O\n0.167949 0.555249 0.543218 O\n0.564838 0.683306 0.406596 O\n0.316694 0.435162 0.093404 O\n0.942158 0.812736 0.610225 O\n0.187264 0.057842 0.889775 O\n0.057842 0.187264 0.389775 O\n0.812736 0.942158 0.110225 O\n0.947751 0.347490 0.932231 O\n0.652510 0.052249 0.567769 O\n0.052249 0.652510 0.067769 O\n0.347490 0.947751 0.432231 O\n0.832051 0.444751 0.456782 O\n0.555249 0.167949 0.043218 O\n",
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"formula_full": "Li2 In2 Mo4 O16",
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{
"id": "mp-1079050",
"created_at": "2022-09-04T14:39:43.538985Z",
"structure_string": "La2 As2 O6\n1.0\n5.378012 0.000000 0.000000\n0.000000 4.454677 0.000000\n0.000000 1.699004 6.050012\nLa As O\n2 2 6\ndirect\n0.750000 0.663020 0.700459 La\n0.250000 0.336980 0.299541 La\n0.750000 0.922210 0.144689 As\n0.250000 0.077790 0.855311 As\n0.750000 0.333161 0.118481 O\n0.250000 0.666839 0.881519 O\n0.501291 0.806260 0.343283 O\n0.001291 0.193740 0.656717 O\n0.498709 0.193740 0.656717 O\n0.998709 0.806260 0.343283 O\n",
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{
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"structure_string": "Na8 Hf4 Ge6 O24\n1.0\n8.030507 -4.764204 0.000000\n8.030507 4.764204 0.000000\n5.204081 0.000000 7.752691\nNa Hf Ge O\n8 4 6 24\ndirect\n0.000000 0.000000 0.000000 Na\n0.370846 0.129154 0.750000 Na\n0.129154 0.750000 0.370846 Na\n0.750000 0.370846 0.129154 Na\n0.250000 0.629154 0.870846 Na\n0.870846 0.250000 0.629154 Na\n0.500000 0.500000 0.500000 Na\n0.629154 0.870846 0.250000 Na\n0.356145 0.356145 0.356145 Hf\n0.856145 0.856145 0.856145 Hf\n0.643855 0.643855 0.643855 Hf\n0.143855 0.143855 0.143855 Hf\n0.957311 0.542689 0.250000 Ge\n0.750000 0.042689 0.457311 Ge\n0.250000 0.957311 0.542689 Ge\n0.042689 0.457311 0.750000 Ge\n0.457311 0.750000 0.042689 Ge\n0.542689 0.250000 0.957311 Ge\n0.706599 0.863139 0.490258 O\n0.490258 0.706599 0.863139 O\n0.863139 0.490258 0.706599 O\n0.793401 0.009742 0.636861 O\n0.636861 0.793401 0.009742 O\n0.009742 0.636861 0.793401 O\n0.293401 0.136861 0.509742 O\n0.509742 0.293401 0.136861 O\n0.136861 0.509742 0.293401 O\n0.206599 0.990258 0.363139 O\n0.363139 0.206599 0.990258 O\n0.990258 0.363139 0.206599 O\n0.424071 0.761846 0.561212 O\n0.561212 0.424071 0.761846 O\n0.761846 0.561212 0.424071 O\n0.075929 0.938788 0.738154 O\n0.738154 0.075929 0.938788 O\n0.938788 0.738154 0.075929 O\n0.061212 0.261846 0.924071 O\n0.261846 0.924071 0.061212 O\n0.924071 0.061212 0.261846 O\n0.238154 0.438788 0.575929 O\n0.438788 0.575929 0.238154 O\n0.575929 0.238154 0.438788 O\n",
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{
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"structure_string": "Cd4 Sb4 O14\n1.0\n-3.670546 3.751649 5.183246\n3.670546 -3.751649 5.183246\n3.670546 3.751649 -5.183246\nCd Sb O\n4 4 14\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.445175 0.090118 0.770513 O\n0.554825 0.325338 0.644942 O\n0.180396 0.409882 0.355058 O\n0.819604 0.174662 0.229487 O\n0.554825 0.909882 0.229487 O\n0.445175 0.674662 0.355058 O\n0.819604 0.590118 0.644942 O\n0.180396 0.825338 0.770513 O\n0.597658 0.750000 0.847658 O\n0.402342 0.250000 0.152342 O\n0.166761 0.902931 0.263830 O\n0.833239 0.097069 0.736170 O\n0.860899 0.597069 0.263830 O\n0.139101 0.402931 0.736170 O\n",
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{
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{
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{
"id": "mp-561049",
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"structure_string": "Na4 Ce4 P16 O48\n1.0\n13.339455 0.000000 0.000000\n0.000000 7.339861 0.000000\n0.000000 7.308641 10.107589\nNa Ce P O\n4 4 16 48\ndirect\n0.220185 0.433961 0.065258 Na\n0.779815 0.566039 0.934742 Na\n0.720185 0.566039 0.434742 Na\n0.279815 0.433961 0.565258 Na\n0.218311 0.037448 0.976533 Ce\n0.281689 0.037448 0.476533 Ce\n0.718311 0.962552 0.523467 Ce\n0.781689 0.962552 0.023467 Ce\n0.599656 0.493609 0.257001 P\n0.614171 0.382375 0.735757 P\n0.114171 0.617625 0.764243 P\n0.910086 0.926815 0.302324 P\n0.872890 0.162543 0.694098 P\n0.900344 0.493609 0.757001 P\n0.885829 0.382375 0.235757 P\n0.099656 0.506391 0.242999 P\n0.127110 0.837457 0.305902 P\n0.410086 0.073185 0.197676 P\n0.400344 0.506391 0.742999 P\n0.627110 0.162543 0.194098 P\n0.372890 0.837457 0.805902 P\n0.385829 0.617625 0.264243 P\n0.089914 0.073185 0.697676 P\n0.589914 0.926815 0.802324 P\n0.664150 0.698364 0.205620 O\n0.707691 0.186559 0.102352 O\n0.621486 0.405294 0.168151 O\n0.420061 0.802226 0.287959 O\n0.811947 0.284105 0.346877 O\n0.521346 0.151309 0.135040 O\n0.188053 0.715895 0.653123 O\n0.079939 0.802226 0.787959 O\n0.134197 0.020581 0.160287 O\n0.311947 0.715895 0.153123 O\n0.486153 0.575638 0.211400 O\n0.986153 0.424362 0.288600 O\n0.878514 0.405294 0.668151 O\n0.121486 0.594706 0.331849 O\n0.920061 0.197774 0.212041 O\n0.660460 0.840888 0.916400 O\n0.889640 0.862468 0.210068 O\n0.355358 0.412041 0.397354 O\n0.389640 0.137532 0.289932 O\n0.160460 0.159112 0.583600 O\n0.644642 0.587959 0.602646 O\n0.865803 0.979419 0.839713 O\n0.513847 0.424362 0.788600 O\n0.607084 0.310186 0.403182 O\n0.164150 0.301636 0.294380 O\n0.855358 0.587959 0.102646 O\n0.365803 0.020581 0.660287 O\n0.634197 0.979419 0.339713 O\n0.021346 0.848691 0.364960 O\n0.292309 0.813441 0.897648 O\n0.792309 0.186559 0.602352 O\n0.839540 0.840888 0.416400 O\n0.107084 0.689814 0.096818 O\n0.144642 0.412041 0.897354 O\n0.392916 0.689814 0.596818 O\n0.378514 0.594706 0.831849 O\n0.335850 0.301636 0.794380 O\n0.892916 0.310186 0.903182 O\n0.013847 0.575638 0.711400 O\n0.339540 0.159112 0.083600 O\n0.610360 0.862468 0.710068 O\n0.207691 0.813441 0.397648 O\n0.478654 0.848691 0.864960 O\n0.579939 0.197774 0.712041 O\n0.835850 0.698364 0.705620 O\n0.110360 0.137532 0.789932 O\n0.978654 0.151309 0.635040 O\n0.688053 0.284105 0.846877 O\n",
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]
}