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{
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{
"id": "mp-1023012",
"created_at": "2022-09-04T14:45:36.213794Z",
"structure_string": "Mg12 Mn2 Nb2\n1.0\n4.827287 0.000000 0.000000\n0.000000 6.046905 0.000000\n0.000000 0.000000 11.065508\nMg Mn Nb\n12 2 2\ndirect\n0.000000 0.258839 0.079645 Mg\n0.000000 0.741161 0.079645 Mg\n0.000000 0.000000 0.328279 Mg\n0.500000 0.742380 0.423644 Mg\n0.500000 0.257620 0.423644 Mg\n0.500000 0.000000 0.168816 Mg\n0.000000 0.758839 0.579645 Mg\n0.000000 0.241161 0.579645 Mg\n0.000000 0.500000 0.828279 Mg\n0.500000 0.242380 0.923644 Mg\n0.500000 0.757620 0.923644 Mg\n0.500000 0.500000 0.668816 Mg\n0.000000 0.500000 0.305940 Mn\n0.000000 0.000000 0.805940 Mn\n0.500000 0.500000 0.190388 Nb\n0.500000 0.000000 0.690388 Nb\n",
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{
"id": "mp-558239",
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"structure_string": "Rb16 U20 O68\n1.0\n7.094972 0.000000 0.000000\n0.000000 14.583588 0.000000\n0.000000 0.000000 18.866112\nRb U O\n16 20 68\ndirect\n0.767908 0.527404 0.054758 Rb\n0.204449 0.059762 0.310257 Rb\n0.704449 0.440238 0.810257 Rb\n0.767908 0.972596 0.945242 Rb\n0.267908 0.527404 0.445242 Rb\n0.795551 0.940238 0.689743 Rb\n0.295551 0.559762 0.189743 Rb\n0.704449 0.059762 0.189743 Rb\n0.295551 0.940238 0.810257 Rb\n0.795551 0.559762 0.310257 Rb\n0.732092 0.027404 0.445242 Rb\n0.732092 0.472596 0.554758 Rb\n0.232092 0.027404 0.054758 Rb\n0.232092 0.472596 0.945242 Rb\n0.204449 0.440238 0.689743 Rb\n0.267908 0.972596 0.554758 Rb\n0.025661 0.817802 0.188653 U\n0.075386 0.706456 0.602641 U\n0.625488 0.750000 0.500000 U\n0.525661 0.682198 0.688653 U\n0.924614 0.206456 0.602641 U\n0.025661 0.682198 0.811347 U\n0.424614 0.293544 0.102641 U\n0.974339 0.182198 0.811347 U\n0.424614 0.206456 0.897359 U\n0.575386 0.706456 0.897359 U\n0.575386 0.793544 0.102641 U\n0.374512 0.250000 0.500000 U\n0.125488 0.750000 0.000000 U\n0.474339 0.317802 0.311347 U\n0.525661 0.817802 0.311347 U\n0.874512 0.250000 0.000000 U\n0.474339 0.182198 0.688653 U\n0.974339 0.317802 0.188653 U\n0.075386 0.793544 0.397359 U\n0.924614 0.293544 0.397359 U\n0.295960 0.334228 0.209756 O\n0.569509 0.918198 0.078006 O\n0.995039 0.305578 0.789837 O\n0.495039 0.305578 0.710163 O\n0.125430 0.629928 0.031998 O\n0.610042 0.290542 0.420062 O\n0.374570 0.129928 0.468002 O\n0.456874 0.444974 0.323565 O\n0.389958 0.709458 0.579938 O\n0.584766 0.670520 0.128535 O\n0.261056 0.795782 0.115586 O\n0.430491 0.418198 0.078006 O\n0.543126 0.944974 0.323565 O\n0.889958 0.709458 0.920062 O\n0.039962 0.250000 0.500000 O\n0.915234 0.329480 0.628535 O\n0.956874 0.055026 0.823565 O\n0.204040 0.834228 0.290244 O\n0.389958 0.790542 0.420062 O\n0.610042 0.209458 0.579938 O\n0.874570 0.370072 0.968002 O\n0.374570 0.370072 0.531998 O\n0.069509 0.581802 0.578006 O\n0.539962 0.250000 0.000000 O\n0.761056 0.704218 0.615586 O\n0.110042 0.290542 0.079938 O\n0.238944 0.204218 0.615586 O\n0.204040 0.665772 0.709756 O\n0.495039 0.194422 0.289837 O\n0.569509 0.581802 0.921994 O\n0.543126 0.555026 0.676435 O\n0.238944 0.295782 0.384414 O\n0.795960 0.165772 0.709756 O\n0.930491 0.081802 0.578006 O\n0.956874 0.444974 0.176435 O\n0.084766 0.670520 0.371465 O\n0.261056 0.704218 0.884414 O\n0.004961 0.805578 0.789837 O\n0.915234 0.170520 0.371465 O\n0.043126 0.944974 0.176435 O\n0.761056 0.795782 0.384414 O\n0.995039 0.194422 0.210163 O\n0.889958 0.790542 0.079938 O\n0.084766 0.829480 0.628535 O\n0.415234 0.170520 0.128535 O\n0.930491 0.418198 0.421994 O\n0.295960 0.165772 0.790244 O\n0.110042 0.209458 0.920062 O\n0.125430 0.870072 0.968002 O\n0.004961 0.694422 0.210163 O\n0.504961 0.694422 0.289837 O\n0.415234 0.329480 0.871465 O\n0.738944 0.204218 0.884414 O\n0.625430 0.629928 0.468002 O\n0.584766 0.829480 0.871465 O\n0.504961 0.805578 0.710163 O\n0.069509 0.918198 0.421994 O\n0.874570 0.129928 0.031998 O\n0.625430 0.870072 0.531998 O\n0.960038 0.750000 0.500000 O\n0.795960 0.334228 0.290244 O\n0.456874 0.055026 0.676435 O\n0.704040 0.834228 0.209756 O\n0.738944 0.295782 0.115586 O\n0.430491 0.081802 0.921994 O\n0.704040 0.665772 0.790244 O\n0.460038 0.750000 0.000000 O\n0.043126 0.555026 0.823565 O\n",
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"elements": [
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"volume": 1952.0794106262006,
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"formula_full": "Rb16 U20 O68",
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"energy": -926.07915323,
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"spacegroup": 60
},
{
"id": "mp-768223",
"created_at": "2022-09-04T14:45:36.324385Z",
"structure_string": "Cs4 Ce2 O6\n1.0\n3.913646 -5.830981 0.000000\n3.913646 5.830981 0.000000\n0.000000 0.000000 6.545519\nCs Ce O\n4 2 6\ndirect\n0.806568 0.476770 0.255296 Cs\n0.523230 0.193432 0.755296 Cs\n0.193432 0.523230 0.755296 Cs\n0.476770 0.806568 0.255296 Cs\n0.091924 0.091924 0.237599 Ce\n0.908076 0.908076 0.737599 Ce\n0.890197 0.130240 0.495432 O\n0.869760 0.109803 0.995432 O\n0.648788 0.648788 0.693076 O\n0.351212 0.351212 0.193076 O\n0.109803 0.869760 0.995432 O\n0.130240 0.890197 0.495432 O\n",
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],
"chemical_system": "Ce-Cs-O",
"density": 5.0462184242301715,
"density_atomic": 0.04016835034571352,
"volume": 298.7426642299378,
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"formula_full": "Cs4 Ce2 O6",
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{
"id": "mp-1226629",
"created_at": "2022-09-04T14:45:36.327480Z",
"structure_string": "Ce1 Pt4 Rh1\n1.0\n2.684955 -4.650478 0.000000\n2.684955 4.650478 0.000000\n0.000000 0.000000 4.436087\nCe Pt Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.000000 Pt\n0.499328 0.998655 0.500000 Pt\n0.001345 0.500672 0.500000 Pt\n0.499328 0.500672 0.500000 Pt\n0.333333 0.666667 0.000000 Rh\n",
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"density": 15.339521701965184,
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"volume": 110.78084055452685,
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{
"id": "mp-1047917",
"created_at": "2022-09-04T14:45:35.869545Z",
"structure_string": "Zn2 P6 W6 O26\n1.0\n6.718356 0.000000 0.000000\n0.000000 7.844640 0.000000\n0.000000 1.989232 10.751235\nZn P W O\n2 6 6 26\ndirect\n0.750000 0.304944 0.219609 Zn\n0.250000 0.695056 0.780391 Zn\n0.250000 0.800878 0.466986 P\n0.750000 0.199122 0.533014 P\n0.250000 0.272632 0.775773 P\n0.750000 0.727368 0.224227 P\n0.750000 0.701813 0.870940 P\n0.250000 0.298187 0.129060 P\n0.250000 0.631544 0.198209 W\n0.750000 0.368456 0.801791 W\n0.250000 0.215718 0.458573 W\n0.500000 0.000000 0.000000 W\n0.750000 0.784282 0.541427 W\n0.000000 0.000000 0.000000 W\n0.750000 0.655939 0.734761 O\n0.567402 0.232031 0.445886 O\n0.250000 0.220647 0.647866 O\n0.558488 0.800420 0.891437 O\n0.750000 0.332626 0.623239 O\n0.750000 0.142937 0.911185 O\n0.250000 0.667374 0.376761 O\n0.058488 0.199580 0.108563 O\n0.250000 0.984274 0.385823 O\n0.750000 0.015726 0.614177 O\n0.066112 0.379901 0.797599 O\n0.250000 0.857063 0.088815 O\n0.566112 0.620099 0.202401 O\n0.750000 0.512783 0.945580 O\n0.750000 0.779353 0.352134 O\n0.441512 0.199580 0.108563 O\n0.932598 0.232031 0.445886 O\n0.432598 0.767969 0.554114 O\n0.433888 0.379901 0.797599 O\n0.250000 0.344061 0.265239 O\n0.750000 0.900841 0.122545 O\n0.250000 0.099159 0.877455 O\n0.933888 0.620099 0.202401 O\n0.941512 0.800420 0.891437 O\n0.067402 0.767969 0.554114 O\n0.250000 0.487217 0.054420 O\n",
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{
"id": "mp-1097522",
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"structure_string": "Be2 Ni1 Pd1\n1.0\n-7.213165 0.000000 -4.164523\n-7.199941 -0.000603 4.141619\n-4.804085 6.775904 -0.008127\nBe Ni Pd\n2 1 1\ndirect\n0.752850 0.000000 0.000000 Be\n0.247150 0.000000 0.000000 Be\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Pd\n",
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{
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"structure_string": "Mg6 Al1 Cd1 O8\n1.0\n8.688204 -0.000000 0.000000\n0.000000 4.408637 0.000000\n0.000000 0.000000 4.408637\nMg Al Cd O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248364 -0.000000 0.500000 Mg\n0.751636 0.000000 0.500000 Mg\n0.248364 0.500000 -0.000000 Mg\n0.751636 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Cd\n0.208291 0.000000 -0.000000 O\n0.791709 -0.000000 0.000000 O\n0.247200 0.500000 0.500000 O\n0.752800 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Mg6 Al1 Cd1 O8",
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{
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"created_at": "2022-09-04T14:45:36.783940Z",
"structure_string": "Li4 Mn4 P8 O28\n1.0\n8.039631 0.000000 0.000000\n0.000000 5.139529 0.000000\n0.000000 4.679496 13.264952\nLi Mn P O\n4 4 8 28\ndirect\n0.785696 0.035047 0.736810 Li\n0.285696 0.964953 0.763190 Li\n0.714304 0.035047 0.236810 Li\n0.214304 0.964953 0.263190 Li\n0.352372 0.339786 0.380513 Mn\n0.647628 0.660214 0.619487 Mn\n0.147628 0.339786 0.880513 Mn\n0.852372 0.660214 0.119487 Mn\n0.705151 0.315811 0.480584 P\n0.032736 0.579292 0.675789 P\n0.532736 0.420708 0.824211 P\n0.294849 0.684189 0.519416 P\n0.967264 0.420708 0.324211 P\n0.467264 0.579292 0.175789 P\n0.794849 0.315811 0.980584 P\n0.205151 0.684189 0.019416 P\n0.408715 0.729599 0.600764 O\n0.536094 0.187774 0.781051 O\n0.142027 0.528729 0.338668 O\n0.591285 0.270401 0.399236 O\n0.293766 0.916079 0.418935 O\n0.463906 0.812226 0.218949 O\n0.134387 0.326305 0.741578 O\n0.829202 0.602037 0.991246 O\n0.109109 0.674397 0.563425 O\n0.329202 0.397963 0.508754 O\n0.634387 0.673695 0.758422 O\n0.670798 0.602037 0.491246 O\n0.206234 0.916079 0.918935 O\n0.908715 0.270401 0.899236 O\n0.365613 0.326305 0.241578 O\n0.170798 0.397963 0.008754 O\n0.890891 0.325603 0.436575 O\n0.642027 0.471271 0.161332 O\n0.793766 0.083921 0.081065 O\n0.390891 0.674397 0.063425 O\n0.609109 0.325603 0.936575 O\n0.865613 0.673695 0.258422 O\n0.963906 0.187774 0.281051 O\n0.857973 0.471271 0.661332 O\n0.357973 0.528729 0.838668 O\n0.036094 0.812226 0.718949 O\n0.706234 0.083921 0.581065 O\n0.091285 0.729599 0.100764 O\n",
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{
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{
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{
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}