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{
"id": "mp-1208820",
"created_at": "2022-09-04T14:39:31.950253Z",
"structure_string": "Sr4 Lu2 Ta2 O12\n1.0\n5.862718 0.000000 0.000000\n0.000000 5.890956 0.000000\n0.000000 0.000000 8.298428\nSr Lu Ta O\n4 2 2 12\ndirect\n0.002023 0.483707 0.251922 Sr\n0.002023 0.516293 0.748078 Sr\n0.502023 0.983707 0.248078 Sr\n0.502023 0.016293 0.751922 Sr\n0.002953 0.000000 0.000000 Lu\n0.502953 0.500000 0.500000 Lu\n0.003270 0.000000 0.500000 Ta\n0.503270 0.500000 0.000000 Ta\n0.486369 0.510446 0.239907 O\n0.486369 0.489554 0.760093 O\n0.986369 0.010446 0.260093 O\n0.986369 0.989554 0.739907 O\n0.251397 0.231669 0.497339 O\n0.251397 0.768331 0.502661 O\n0.751397 0.731669 0.002661 O\n0.751397 0.268331 0.997339 O\n0.273199 0.250392 0.006982 O\n0.273199 0.749608 0.993018 O\n0.773199 0.750392 0.493018 O\n0.773199 0.249608 0.506982 O\n",
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{
"id": "mp-1042650",
"created_at": "2022-09-04T14:39:31.965496Z",
"structure_string": "Zn8 Co8 Mo16 O56\n1.0\n15.213171 0.000000 0.000000\n0.000000 6.679811 0.000000\n0.000000 3.045205 11.826445\nZn Co Mo O\n8 8 16 56\ndirect\n0.522798 0.963964 0.754843 Zn\n0.863179 0.650500 0.024760 Zn\n0.363179 0.349500 0.475240 Zn\n0.136821 0.349500 0.975240 Zn\n0.636821 0.650500 0.524760 Zn\n0.977202 0.963964 0.254843 Zn\n0.477202 0.036036 0.245157 Zn\n0.022798 0.036036 0.745157 Zn\n0.639530 0.346686 0.088344 Co\n0.139530 0.653314 0.411656 Co\n0.360470 0.653314 0.911656 Co\n0.860470 0.346686 0.588344 Co\n0.764557 0.021380 0.247932 Co\n0.264557 0.978620 0.252068 Co\n0.235443 0.978620 0.752068 Co\n0.735443 0.021380 0.747932 Co\n0.896809 0.142718 0.994863 Mo\n0.036269 0.560605 0.696076 Mo\n0.463731 0.560605 0.196076 Mo\n0.963731 0.439395 0.303924 Mo\n0.740458 0.485213 0.807985 Mo\n0.240458 0.514787 0.692015 Mo\n0.259542 0.514787 0.192015 Mo\n0.759542 0.485213 0.307985 Mo\n0.536269 0.439395 0.803924 Mo\n0.141265 0.142578 0.479744 Mo\n0.641265 0.857422 0.020256 Mo\n0.858735 0.857422 0.520256 Mo\n0.396809 0.857282 0.505137 Mo\n0.603191 0.142718 0.494863 Mo\n0.103191 0.857282 0.005137 Mo\n0.358735 0.142578 0.979744 Mo\n0.010674 0.219552 0.951881 O\n0.510674 0.780448 0.548119 O\n0.989326 0.780448 0.048119 O\n0.489326 0.219552 0.451881 O\n0.833325 0.948896 0.940979 O\n0.333325 0.051104 0.559021 O\n0.166675 0.051104 0.059021 O\n0.666675 0.948896 0.440979 O\n0.870683 0.044371 0.150364 O\n0.370683 0.955629 0.349636 O\n0.129317 0.955629 0.849636 O\n0.629317 0.044371 0.650364 O\n0.288813 0.366857 0.944033 O\n0.788813 0.633143 0.555967 O\n0.711187 0.633143 0.055967 O\n0.211187 0.366857 0.444033 O\n0.362684 0.024448 0.129790 O\n0.862684 0.975552 0.370210 O\n0.637316 0.975552 0.870210 O\n0.137316 0.024448 0.629790 O\n0.330986 0.954550 0.900868 O\n0.471526 0.692632 0.816223 O\n0.830986 0.045450 0.599132 O\n0.169014 0.954550 0.400868 O\n0.489415 0.249655 0.728387 O\n0.989415 0.750345 0.771613 O\n0.510585 0.750345 0.271613 O\n0.010585 0.249655 0.228387 O\n0.466067 0.250131 0.949020 O\n0.966067 0.749869 0.550980 O\n0.533933 0.749869 0.050980 O\n0.033933 0.250131 0.449020 O\n0.859865 0.549757 0.196831 O\n0.359865 0.450243 0.303169 O\n0.140135 0.450243 0.803169 O\n0.640135 0.549757 0.696831 O\n0.709468 0.288577 0.240120 O\n0.209468 0.711423 0.259880 O\n0.290532 0.711423 0.759880 O\n0.790532 0.288577 0.740120 O\n0.665627 0.405928 0.450712 O\n0.165627 0.594072 0.049288 O\n0.334373 0.594072 0.549288 O\n0.834373 0.405928 0.950712 O\n0.720412 0.741816 0.284511 O\n0.220412 0.258184 0.215489 O\n0.279588 0.258184 0.715489 O\n0.779588 0.741816 0.784511 O\n0.860931 0.405524 0.413560 O\n0.360931 0.594476 0.086440 O\n0.139069 0.594476 0.586440 O\n0.639069 0.405524 0.913560 O\n0.028474 0.692632 0.316223 O\n0.528474 0.307368 0.183777 O\n0.971526 0.307368 0.683777 O\n0.669014 0.045450 0.099132 O\n",
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"elements": [
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"volume": 1201.8164326644044,
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"formula_full": "Zn8 Co8 Mo16 O56",
"formula_reduced": "ZnCoMo2O7",
"formula_anonymous": "ABC2D7",
"energy": -666.23408244,
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"updated_at": "2021-11-28T01:34:24.046000Z",
"spacegroup": 14
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{
"id": "mp-752665",
"created_at": "2022-09-04T14:39:31.980973Z",
"structure_string": "Li6 Ti6 V2 O16\n1.0\n-0.000695 -3.110242 5.093252\n-3.578662 -4.164240 -2.544338\n6.917294 -4.138387 -2.525601\nLi Ti V O\n6 6 2 16\ndirect\n0.499997 0.499984 0.000020 Li\n0.000003 0.000017 0.499977 Li\n0.749927 0.749971 0.250036 Li\n0.250073 0.250028 0.749962 Li\n0.250073 0.749971 0.250036 Li\n0.749927 0.250027 0.749962 Li\n0.499999 0.999999 0.000019 Ti\n0.000003 0.500002 0.499978 Ti\n0.749320 0.250289 0.250717 Ti\n0.250659 0.749723 0.749295 Ti\n0.250681 0.250289 0.250717 Ti\n0.749343 0.749721 0.749299 Ti\n0.499992 0.499967 0.499984 V\n0.999998 0.000017 0.000007 V\n0.499965 0.016769 0.236847 O\n0.999974 0.516717 0.736735 O\n0.000035 0.483315 0.263242 O\n0.500028 0.983190 0.763172 O\n0.999985 0.019164 0.250240 O\n0.499983 0.517556 0.751379 O\n0.500011 0.482484 0.248583 O\n0.000022 0.980794 0.749793 O\n0.766296 0.267351 0.487362 O\n0.265752 0.768797 0.986889 O\n0.233669 0.267338 0.487370 O\n0.734215 0.768794 0.986904 O\n0.265800 0.231253 0.013080 O\n0.766312 0.732614 0.512647 O\n0.734236 0.231241 0.013091 O\n0.233721 0.732613 0.512656 O\n",
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"elements": [
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"V",
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],
"chemical_system": "Li-O-Ti-V",
"density": 3.7388494936986887,
"density_atomic": 0.09836250016071689,
"volume": 304.99428085888695,
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"formula_full": "Li6 Ti6 V2 O16",
"formula_reduced": "Li3Ti3VO8",
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"spacegroup": 12
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{
"id": "mp-30854",
"created_at": "2022-09-04T14:39:31.992138Z",
"structure_string": "U2 Pt4\n1.0\n2.074838 -4.926175 0.000000\n2.074838 4.926175 0.000000\n0.000000 0.000000 5.666472\nU Pt\n2 4\ndirect\n0.670525 0.329475 0.750000 U\n0.329475 0.670525 0.250000 U\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.362901 0.637099 0.750000 Pt\n0.637099 0.362901 0.250000 Pt\n",
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{
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"created_at": "2022-09-04T14:39:31.992901Z",
"structure_string": "Rb3 In1 Cl6\n1.0\n0.000000 5.646866 5.646866\n5.646866 0.000000 5.646866\n5.646866 5.646866 0.000000\nRb In Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.774883 0.225117 0.225117 Cl\n0.225117 0.225117 0.774883 Cl\n0.225117 0.774883 0.774883 Cl\n0.225117 0.774883 0.225117 Cl\n0.774883 0.225117 0.774883 Cl\n0.774883 0.774883 0.225117 Cl\n",
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"formula_full": "Rb3 In1 Cl6",
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{
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"structure_string": "Cr2 C1\n1.0\n1.416545 -2.453527 0.000000\n1.416545 2.453527 0.000000\n0.000000 0.000000 4.258797\nCr C\n2 1\ndirect\n0.666667 0.333333 0.247532 Cr\n0.333333 0.666667 0.752468 Cr\n0.000000 0.000000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:39:32.001039Z",
"structure_string": "Li4 N1 Cl1\n1.0\n6.726816 -1.829697 0.000000\n6.726816 1.829697 0.000000\n6.229138 0.000000 3.129806\nLi N Cl\n4 1 1\ndirect\n0.902827 0.902827 0.902827 Li\n0.097173 0.097173 0.097173 Li\n0.654904 0.654904 0.654904 Li\n0.345096 0.345096 0.345096 Li\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 Cl\n",
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"formula_full": "Li4 N1 Cl1",
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}