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{
"id": "mp-1184810",
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{
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{
"id": "mp-772173",
"created_at": "2022-09-04T14:40:43.431981Z",
"structure_string": "Cr8 P8 O40\n1.0\n5.042466 0.000000 0.000000\n0.000000 12.682384 0.000000\n0.000000 6.365139 11.109631\nCr P O\n8 8 40\ndirect\n0.732241 0.563115 0.128750 Cr\n0.232241 0.436885 0.371250 Cr\n0.736473 0.063977 0.307182 Cr\n0.236473 0.936023 0.192818 Cr\n0.763527 0.063977 0.807182 Cr\n0.263527 0.936023 0.692818 Cr\n0.767759 0.563115 0.628750 Cr\n0.267759 0.436885 0.871250 Cr\n0.761837 0.844486 0.090367 P\n0.747084 0.343969 0.063384 P\n0.752916 0.343969 0.563384 P\n0.261837 0.155514 0.409633 P\n0.738163 0.844486 0.590367 P\n0.247084 0.656031 0.436616 P\n0.252916 0.656031 0.936616 P\n0.238163 0.155514 0.909633 P\n0.051336 0.862529 0.121082 O\n0.060856 0.624089 0.041818 O\n0.716408 0.708871 0.140721 O\n0.458179 0.373301 0.014169 O\n0.810421 0.414122 0.129737 O\n0.483433 0.502788 0.224889 O\n0.983433 0.497212 0.275111 O\n0.310421 0.585878 0.370263 O\n0.770170 0.207658 0.151268 O\n0.276555 0.089243 0.046689 O\n0.216408 0.291129 0.359279 O\n0.560856 0.375911 0.458182 O\n0.041821 0.373301 0.514169 O\n0.551336 0.137471 0.378918 O\n0.070005 0.109300 0.347722 O\n0.978809 0.985187 0.236249 O\n0.478809 0.014813 0.263751 O\n0.570005 0.890700 0.152278 O\n0.729830 0.207658 0.651268 O\n0.223445 0.089243 0.546689 O\n0.776555 0.910757 0.453311 O\n0.270170 0.792342 0.348732 O\n0.429995 0.109300 0.847722 O\n0.521191 0.985187 0.736249 O\n0.021191 0.014813 0.763751 O\n0.929995 0.890700 0.652278 O\n0.448664 0.862529 0.621082 O\n0.958179 0.626699 0.485831 O\n0.439144 0.624089 0.541818 O\n0.783592 0.708871 0.640721 O\n0.723445 0.910757 0.953311 O\n0.229830 0.792342 0.848732 O\n0.689579 0.414122 0.629737 O\n0.016567 0.502788 0.724889 O\n0.516567 0.497212 0.775111 O\n0.189579 0.585878 0.870263 O\n0.541821 0.626699 0.985831 O\n0.283592 0.291129 0.859279 O\n0.939144 0.375911 0.958182 O\n0.948664 0.137471 0.878918 O\n",
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"elements": [
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],
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"density": 3.047157314268553,
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"volume": 710.466347490614,
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"formula_full": "Cr8 P8 O40",
"formula_reduced": "CrPO5",
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"spacegroup": 14
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{
"id": "mp-1096439",
"created_at": "2022-09-04T14:40:43.432249Z",
"structure_string": "Li1 Zn2 Ru1\n1.0\n-5.108648 5.307352 7.549837\n5.108648 -5.307352 7.549837\n5.108648 5.307352 -7.549837\nLi Zn Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.256336 0.256336 Zn\n0.000000 0.743664 0.743664 Zn\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"density": 0.4843448865138712,
"density_atomic": 0.0048851573033103,
"volume": 818.8067961065458,
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"formula_full": "Li1 Zn2 Ru1",
"formula_reduced": "LiZn2Ru",
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"spacegroup": 71
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{
"id": "mp-780734",
"created_at": "2022-09-04T14:40:41.240067Z",
"structure_string": "Li12 Mn6 Si6 O24\n1.0\n5.044954 0.000209 -0.000088\n0.000360 8.737721 0.000971\n-0.000561 0.001572 11.825464\nLi Mn Si O\n12 6 6 24\ndirect\n0.882516 0.444928 0.586069 Li\n0.382491 0.944896 0.586099 Li\n0.891414 0.218729 0.919391 Li\n0.391428 0.718766 0.919389 Li\n0.226163 0.336304 0.252724 Li\n0.726148 0.836332 0.252743 Li\n0.382462 0.055106 0.080603 Li\n0.882474 0.555075 0.080630 Li\n0.391416 0.281224 0.747247 Li\n0.891402 0.781259 0.747247 Li\n0.726130 0.163686 0.413915 Li\n0.226149 0.663709 0.413933 Li\n0.272734 0.727221 0.166699 Mn\n0.272696 0.272816 0.499911 Mn\n0.953757 0.500026 0.833365 Mn\n0.772797 0.227137 0.166687 Mn\n0.772787 0.772918 0.499927 Mn\n0.453810 0.000029 0.833365 Mn\n0.898507 0.101514 0.666724 Si\n0.398494 0.601567 0.666703 Si\n0.203099 0.000008 0.333314 Si\n0.703108 0.500011 0.333314 Si\n0.398469 0.398422 0.999982 Si\n0.898476 0.898467 0.999959 Si\n0.715929 0.420610 0.967899 O\n0.215901 0.920676 0.967857 O\n0.010993 0.147569 0.301172 O\n0.511060 0.647623 0.301189 O\n0.215932 0.079266 0.698840 O\n0.715956 0.579345 0.698800 O\n0.273227 0.431754 0.634481 O\n0.773276 0.931712 0.634469 O\n0.511091 0.352396 0.365484 O\n0.011025 0.852445 0.365502 O\n0.773202 0.068264 0.032158 O\n0.273161 0.568231 0.032143 O\n0.879042 0.220309 0.558105 O\n0.379092 0.720368 0.558071 O\n0.890985 0.450359 0.224778 O\n0.390973 0.950418 0.224778 O\n0.230048 0.329331 0.891397 O\n0.730041 0.829441 0.891361 O\n0.379027 0.279640 0.108587 O\n0.878971 0.779687 0.108550 O\n0.391009 0.049603 0.441923 O\n0.891022 0.549664 0.441922 O\n0.730056 0.170514 0.775281 O\n0.230060 0.670627 0.775248 O\n",
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"volume": 521.2830057766698,
"volume_molar": 6.54008257621458,
"formula_full": "Li12 Mn6 Si6 O24",
"formula_reduced": "Li2MnSiO4",
"formula_anonymous": "ABC2D4",
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{
"id": "mp-777420",
"created_at": "2022-09-04T14:40:40.964940Z",
"structure_string": "Fe2 Ni3 Sb1 P6 O24\n1.0\n7.257560 -4.338111 0.000000\n7.257560 4.338111 0.000000\n4.664510 0.000000 7.052214\nFe Ni Sb P O\n2 3 1 6 24\ndirect\n0.010042 0.010042 0.010042 Fe\n0.499206 0.499206 0.499206 Fe\n0.146016 0.146016 0.146016 Ni\n0.356065 0.356065 0.356065 Ni\n0.641970 0.641970 0.641970 Ni\n0.857219 0.857219 0.857219 Sb\n0.453353 0.743075 0.048027 P\n0.542070 0.254185 0.950067 P\n0.950067 0.542070 0.254185 P\n0.254185 0.950067 0.542070 P\n0.743075 0.048027 0.453353 P\n0.048027 0.453353 0.743075 P\n0.317945 0.103439 0.512702 O\n0.512702 0.317945 0.103439 O\n0.902864 0.059671 0.255078 O\n0.103439 0.512702 0.317945 O\n0.819727 0.009963 0.610302 O\n0.596761 0.250219 0.442608 O\n0.059671 0.255078 0.902864 O\n0.250219 0.442608 0.596761 O\n0.395177 0.176936 0.987704 O\n0.442608 0.596761 0.250219 O\n0.752331 0.090328 0.936600 O\n0.987704 0.395177 0.176936 O\n0.009963 0.610302 0.819727 O\n0.255078 0.902864 0.059671 O\n0.564520 0.400601 0.746142 O\n0.610302 0.819727 0.009963 O\n0.746142 0.564520 0.400601 O\n0.936600 0.752331 0.090328 O\n0.400601 0.746142 0.564520 O\n0.176936 0.987704 0.395177 O\n0.894959 0.500379 0.671752 O\n0.090328 0.936600 0.752331 O\n0.500379 0.671752 0.894959 O\n0.671752 0.894959 0.500379 O\n",
"nsites": 36,
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"formula_full": "Fe2 Ni3 Sb1 P6 O24",
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"spacegroup": 146
},
{
"id": "mp-779348",
"created_at": "2022-09-04T14:40:43.459805Z",
"structure_string": "Ta8 Cr4 N4 O20\n1.0\n0.000005 4.760122 0.000002\n-0.032634 0.000004 9.259250\n9.530800 0.000009 -0.033586\nTa Cr N O\n8 4 4 20\ndirect\n0.994687 0.339147 0.001504 Ta\n0.994690 0.339154 0.501513 Ta\n0.494685 0.160844 0.248492 Ta\n0.494686 0.160854 0.748493 Ta\n0.999288 0.683109 0.491138 Ta\n0.999286 0.683109 0.991153 Ta\n0.499290 0.816881 0.258858 Ta\n0.499286 0.816901 0.758853 Ta\n0.000303 0.002821 0.999119 Cr\n0.500317 0.497186 0.750888 Cr\n0.000350 0.002841 0.499104 Cr\n0.500358 0.497155 0.250888 Cr\n0.700536 0.663374 0.348212 N\n0.700539 0.663390 0.848219 N\n0.200532 0.836620 0.401784 N\n0.200528 0.836615 0.901785 N\n0.804935 0.492784 0.100404 O\n0.804932 0.492786 0.600398 O\n0.304929 0.007214 0.149603 O\n0.304933 0.007214 0.649595 O\n0.805756 0.835527 0.098970 O\n0.805764 0.835519 0.598960 O\n0.305770 0.664476 0.151033 O\n0.305775 0.664481 0.651030 O\n0.801433 0.173051 0.098775 O\n0.801437 0.173053 0.598771 O\n0.301436 0.326945 0.151228 O\n0.301434 0.326950 0.651226 O\n0.695281 0.003638 0.344634 O\n0.695285 0.003634 0.844633 O\n0.195284 0.496361 0.405366 O\n0.195286 0.496368 0.905369 O\n0.697743 0.328444 0.349645 O\n0.697743 0.328449 0.849646 O\n0.197743 0.171554 0.400355 O\n0.197742 0.171551 0.900355 O\n",
"nsites": 36,
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"elements": [
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"formula_full": "Ta8 Cr4 N4 O20",
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{
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"structure_string": "Li8 Ti8 Mn2 Fe8 O36\n1.0\n2.940898 0.000000 0.000000\n0.000000 9.199415 0.000000\n0.000000 0.000000 25.446720\nLi Ti Mn Fe O\n8 8 2 8 36\ndirect\n0.000000 0.693817 0.489374 Li\n0.000000 0.695999 0.690894 Li\n0.000000 0.804001 0.190894 Li\n0.000000 0.806183 0.989374 Li\n0.000000 0.193817 0.010626 Li\n0.000000 0.195999 0.809106 Li\n0.000000 0.304001 0.309106 Li\n0.000000 0.306183 0.510626 Li\n0.000000 0.505610 0.599827 Ti\n0.500000 0.652544 0.309648 Ti\n0.500000 0.847456 0.809648 Ti\n0.000000 0.994390 0.099827 Ti\n0.000000 0.005610 0.900173 Ti\n0.500000 0.152544 0.190352 Ti\n0.500000 0.347456 0.690352 Ti\n0.000000 0.494390 0.400173 Ti\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.506205 0.805411 Fe\n0.500000 0.643965 0.087731 Fe\n0.500000 0.856035 0.587731 Fe\n0.000000 0.993795 0.305411 Fe\n0.000000 0.006205 0.694589 Fe\n0.500000 0.143965 0.412269 Fe\n0.500000 0.356035 0.912269 Fe\n0.000000 0.493795 0.194589 Fe\n0.000000 0.497320 0.924361 O\n0.000000 0.502680 0.075639 O\n0.500000 0.558957 0.442933 O\n0.500000 0.549320 0.656073 O\n0.500000 0.620940 0.165922 O\n0.000000 0.596445 0.261253 O\n0.500000 0.641126 0.004017 O\n0.500000 0.645633 0.788809 O\n0.000000 0.683571 0.357639 O\n0.000000 0.702509 0.580981 O\n0.000000 0.797491 0.080981 O\n0.000000 0.816429 0.857639 O\n0.500000 0.854367 0.288809 O\n0.500000 0.858874 0.504017 O\n0.000000 0.903555 0.761253 O\n0.500000 0.879060 0.665922 O\n0.500000 0.950680 0.156073 O\n0.500000 0.941043 0.942933 O\n0.000000 0.997320 0.575639 O\n0.000000 0.002680 0.424361 O\n0.500000 0.058957 0.057067 O\n0.500000 0.049320 0.843927 O\n0.500000 0.120940 0.334078 O\n0.000000 0.096445 0.238747 O\n0.500000 0.141126 0.495983 O\n0.500000 0.145633 0.711191 O\n0.000000 0.183571 0.142361 O\n0.000000 0.202509 0.919019 O\n0.000000 0.297491 0.419019 O\n0.000000 0.316429 0.642361 O\n0.500000 0.354367 0.211191 O\n0.500000 0.358874 0.995983 O\n0.000000 0.403555 0.738747 O\n0.500000 0.379060 0.834078 O\n0.500000 0.450680 0.343927 O\n0.500000 0.441043 0.557067 O\n",
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