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{
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{
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{
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"structure_string": "Ca8 Ir2\n1.0\n-5.817281 -5.817281 0.000000\n-5.817281 0.000000 -5.817281\n0.000000 -5.817281 -5.817281\nCa Ir\n8 2\ndirect\n0.620469 0.620469 0.620469 Ca\n0.138592 0.620469 0.620469 Ca\n0.620469 0.138592 0.620469 Ca\n0.611408 0.129531 0.129531 Ca\n0.129531 0.129531 0.129531 Ca\n0.620469 0.620469 0.138592 Ca\n0.129531 0.611408 0.129531 Ca\n0.129531 0.129531 0.611408 Ca\n0.000000 0.000000 0.000000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
"id": "mp-1350121",
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"structure_string": "Li2 V4 P8 H4 O32\n1.0\n7.764318 0.000000 0.000000\n-1.918193 9.085798 0.000000\n-1.918680 -4.655413 7.817161\nLi V P H O\n2 4 8 4 32\ndirect\n0.357285 0.630140 0.907875 Li\n0.852753 0.870440 0.290310 Li\n0.499735 0.010794 0.745508 V\n0.990081 0.500514 0.000734 V\n0.003335 0.491878 0.504975 V\n0.487921 0.001835 0.248764 V\n0.268859 0.355976 0.392454 P\n0.265242 0.349875 0.893967 P\n0.231670 0.843679 0.510217 P\n0.229050 0.856704 0.997823 P\n0.766854 0.147636 0.497817 P\n0.763332 0.153703 0.992067 P\n0.732828 0.646992 0.602413 P\n0.732926 0.659589 0.102739 P\n0.510424 0.508114 0.735207 H\n0.492547 0.494611 0.259304 H\n0.989021 0.009465 0.507888 H\n0.999730 0.000125 0.999650 H\n0.052052 0.949030 0.937509 O\n0.340076 0.951047 0.872416 O\n0.629952 0.180264 0.816376 O\n0.681263 0.835093 0.946297 O\n0.158174 0.444173 0.930923 O\n0.159338 0.446636 0.428598 O\n0.317405 0.177150 0.541581 O\n0.362079 0.829245 0.684409 O\n0.439566 0.451970 0.868130 O\n0.443773 0.458345 0.361099 O\n0.656159 0.058802 0.623083 O\n0.818308 0.326745 0.466943 O\n0.824291 0.332534 0.978352 O\n0.056587 0.946402 0.429881 O\n0.131077 0.322305 0.745042 O\n0.131955 0.347114 0.228385 O\n0.863852 0.661725 0.763716 O\n0.863266 0.674800 0.262029 O\n0.942988 0.043097 0.574333 O\n0.184212 0.666990 0.531099 O\n0.183108 0.678682 0.010988 O\n0.352418 0.935051 0.386408 O\n0.553152 0.551579 0.628983 O\n0.558529 0.555154 0.125578 O\n0.633739 0.154421 0.325424 O\n0.684040 0.823751 0.438829 O\n0.844342 0.552782 0.572273 O\n0.853565 0.568166 0.070363 O\n0.324960 0.169672 0.059351 O\n0.366749 0.840645 0.173970 O\n0.659894 0.056956 0.124951 O\n0.939394 0.051353 0.067927 O\n",
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{
"id": "mp-1225641",
"created_at": "2022-09-04T14:43:58.566842Z",
"structure_string": "Er1 Al7 Fe5\n1.0\n-2.508446 4.317875 4.326593\n2.508446 -4.317875 4.326593\n2.508446 4.317875 -4.326593\nEr Al Fe\n1 7 5\ndirect\n0.004560 0.000000 0.004560 Er\n0.660291 0.000000 0.660291 Al\n0.338694 0.000000 0.338694 Al\n0.333900 0.342342 0.991558 Al\n0.649216 0.657658 0.991558 Al\n0.774609 0.500000 0.274609 Al\n0.794677 0.289938 0.504739 Al\n0.214801 0.710062 0.504739 Al\n0.499301 0.497775 0.495645 Fe\n0.499301 0.003656 0.001526 Fe\n0.997870 0.996344 0.495645 Fe\n0.997870 0.502225 0.001526 Fe\n0.234909 0.500000 0.734909 Fe\n",
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{
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"structure_string": "U2 Ni21 B6\n1.0\n0.000000 5.315907 5.315907\n5.315907 0.000000 5.315907\n5.315907 5.315907 0.000000\nU Ni B\n2 21 6\ndirect\n0.750000 0.750000 0.750000 U\n0.250000 0.250000 0.250000 U\n0.340318 0.000000 0.659682 Ni\n0.843610 0.385463 0.385463 Ni\n0.614537 0.614537 0.614537 Ni\n0.000000 0.340318 0.000000 Ni\n0.340318 0.000000 0.000000 Ni\n0.000000 0.340318 0.659682 Ni\n0.659682 0.000000 0.340318 Ni\n0.000000 0.000000 0.340318 Ni\n0.340318 0.659682 0.000000 Ni\n0.659682 0.340318 0.000000 Ni\n0.000000 0.659682 0.340318 Ni\n0.000000 0.000000 0.659682 Ni\n0.156390 0.614537 0.614537 Ni\n0.659682 0.000000 0.000000 Ni\n0.000000 0.659682 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.385463 0.385463 0.385463 Ni\n0.385463 0.843610 0.385463 Ni\n0.614537 0.614537 0.156390 Ni\n0.614537 0.156390 0.614537 Ni\n0.385463 0.385463 0.843610 Ni\n0.734582 0.265418 0.734582 B\n0.265418 0.265418 0.734582 B\n0.734582 0.734582 0.265418 B\n0.734582 0.265418 0.265418 B\n0.265418 0.734582 0.734582 B\n0.265418 0.734582 0.265418 B\n",
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{
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{
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{
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"structure_string": "Li24 V8 P16 O64\n1.0\n9.954267 0.000000 0.000000\n0.000000 8.637531 0.000000\n0.000000 6.972110 14.769511\nLi V P O\n24 8 16 64\ndirect\n0.401719 0.980877 0.444326 Li\n0.878066 0.619996 0.791296 Li\n0.617139 0.598102 0.718597 Li\n0.086332 0.264628 0.021065 Li\n0.102129 0.012636 0.255448 Li\n0.584350 0.249874 0.004295 Li\n0.084350 0.750126 0.495705 Li\n0.602129 0.987364 0.244552 Li\n0.586332 0.735372 0.478935 Li\n0.117139 0.401898 0.781403 Li\n0.378066 0.380004 0.708704 Li\n0.901719 0.019123 0.055674 Li\n0.098281 0.980877 0.944326 Li\n0.621934 0.619996 0.291296 Li\n0.882861 0.598102 0.218597 Li\n0.413668 0.264628 0.521065 Li\n0.397871 0.012636 0.755448 Li\n0.915650 0.249874 0.504295 Li\n0.415650 0.750126 0.995705 Li\n0.897871 0.987364 0.744552 Li\n0.913668 0.735372 0.978935 Li\n0.382861 0.401898 0.281403 Li\n0.121934 0.380004 0.208704 Li\n0.598281 0.019123 0.555674 Li\n0.851687 0.026298 0.385728 V\n0.379188 0.559721 0.859157 V\n0.879188 0.440279 0.640843 V\n0.351687 0.973702 0.114272 V\n0.648313 0.026298 0.885728 V\n0.120812 0.559721 0.359157 V\n0.620812 0.440279 0.140843 V\n0.148313 0.973702 0.614272 V\n0.847918 0.251350 0.163079 P\n0.366495 0.779025 0.635545 P\n0.845555 0.834368 0.597032 P\n0.336331 0.369483 0.087090 P\n0.836331 0.630517 0.412910 P\n0.345555 0.165632 0.902968 P\n0.866495 0.220975 0.864455 P\n0.347918 0.748650 0.336921 P\n0.652082 0.251350 0.663079 P\n0.133505 0.779025 0.135545 P\n0.654445 0.834368 0.097032 P\n0.163669 0.369483 0.587090 P\n0.663669 0.630517 0.912910 P\n0.154445 0.165632 0.402968 P\n0.633505 0.220975 0.364455 P\n0.152082 0.748650 0.836921 P\n0.057719 0.017148 0.416258 O\n0.584568 0.591535 0.841540 O\n0.764857 0.775310 0.685778 O\n0.186961 0.336526 0.110019 O\n0.358133 0.520872 0.992348 O\n0.922206 0.146106 0.256169 O\n0.749111 0.898432 0.513766 O\n0.647617 0.062908 0.342023 O\n0.160282 0.556319 0.850885 O\n0.399152 0.606891 0.720814 O\n0.919114 0.215852 0.090828 O\n0.694908 0.204149 0.166078 O\n0.480277 0.812788 0.566970 O\n0.222014 0.765938 0.600360 O\n0.930890 0.682210 0.598720 O\n0.406711 0.206044 0.090000 O\n0.906711 0.793956 0.410000 O\n0.430890 0.317790 0.901280 O\n0.722014 0.234062 0.899640 O\n0.194908 0.795851 0.333922 O\n0.980277 0.187212 0.933030 O\n0.419114 0.784148 0.409172 O\n0.899152 0.393109 0.779186 O\n0.660282 0.443681 0.649115 O\n0.147617 0.937092 0.157977 O\n0.249111 0.101568 0.986234 O\n0.422206 0.853894 0.243831 O\n0.686961 0.663474 0.389981 O\n0.858133 0.479128 0.507652 O\n0.264857 0.224690 0.814222 O\n0.557719 0.982852 0.083742 O\n0.084568 0.408465 0.658460 O\n0.915432 0.591535 0.341540 O\n0.442281 0.017148 0.916258 O\n0.735143 0.775310 0.185778 O\n0.141867 0.520872 0.492348 O\n0.313039 0.336526 0.610019 O\n0.577794 0.146106 0.756169 O\n0.750889 0.898432 0.013766 O\n0.852383 0.062908 0.842023 O\n0.339718 0.556319 0.350885 O\n0.100848 0.606891 0.220814 O\n0.580886 0.215852 0.590828 O\n0.019723 0.812788 0.066970 O\n0.805092 0.204149 0.666078 O\n0.277986 0.765938 0.100360 O\n0.569110 0.682210 0.098720 O\n0.093289 0.206044 0.590000 O\n0.593289 0.793956 0.910000 O\n0.069110 0.317790 0.401280 O\n0.777986 0.234062 0.399640 O\n0.519723 0.187212 0.433030 O\n0.305092 0.795851 0.833922 O\n0.080886 0.784148 0.909172 O\n0.600848 0.393109 0.279186 O\n0.839718 0.443681 0.149115 O\n0.352383 0.937092 0.657977 O\n0.250889 0.101568 0.486234 O\n0.077794 0.853894 0.743831 O\n0.641867 0.479128 0.007652 O\n0.813039 0.663474 0.889981 O\n0.235143 0.224690 0.314222 O\n0.415432 0.408465 0.158460 O\n0.942281 0.982852 0.583742 O\n",
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"elements": [
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],
"chemical_system": "Li-O-P-V",
"density": 2.737724699086261,
"density_atomic": 0.08819683520854246,
"volume": 1269.8868359071464,
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"formula_full": "Li24 V8 P16 O64",
"formula_reduced": "Li3V(PO4)2",
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"updated_at": "2021-11-28T01:36:08.093000Z",
"spacegroup": 14
},
{
"id": "mp-1221304",
"created_at": "2022-09-04T14:43:58.571634Z",
"structure_string": "Na6 Al6 Si6 O32\n1.0\n6.334605 -6.387534 0.000000\n6.334605 6.387534 0.000000\n-0.106300 0.000000 8.995360\nNa Al Si O\n6 6 6 32\ndirect\n0.316979 0.679910 0.320007 Na\n0.679910 0.320007 0.316979 Na\n0.320007 0.316979 0.679910 Na\n0.179910 0.816979 0.820007 Na\n0.820007 0.179910 0.816979 Na\n0.816979 0.820007 0.179910 Na\n0.995055 0.751735 0.502916 Al\n0.502916 0.995055 0.751735 Al\n0.751735 0.502916 0.995055 Al\n0.495055 0.002916 0.251735 Al\n0.251735 0.495055 0.002916 Al\n0.002916 0.251735 0.495055 Al\n0.500192 0.750020 0.001215 Si\n0.001215 0.500192 0.750020 Si\n0.750020 0.001215 0.500192 Si\n0.000192 0.501215 0.250020 Si\n0.250020 0.000192 0.501215 Si\n0.501215 0.250020 0.000192 Si\n0.947615 0.641110 0.653288 O\n0.653288 0.947615 0.641110 O\n0.641110 0.653288 0.947615 O\n0.058372 0.640093 0.355106 O\n0.350398 0.936065 0.363897 O\n0.363908 0.646730 0.062521 O\n0.936065 0.363897 0.350398 O\n0.646730 0.062521 0.363908 O\n0.640093 0.355106 0.058372 O\n0.062521 0.363908 0.646730 O\n0.355106 0.058372 0.640093 O\n0.363897 0.350398 0.936065 O\n0.436065 0.850398 0.863897 O\n0.146730 0.863908 0.562521 O\n0.140093 0.558372 0.855106 O\n0.562521 0.146730 0.863908 O\n0.855106 0.140093 0.558372 O\n0.863897 0.436065 0.850398 O\n0.447615 0.153288 0.141110 O\n0.153288 0.141110 0.447615 O\n0.141110 0.447615 0.153288 O\n0.558372 0.855106 0.140093 O\n0.850398 0.863897 0.436065 O\n0.863908 0.562521 0.146730 O\n0.935366 0.935366 0.935366 O\n0.072325 0.911497 0.072879 O\n0.911497 0.072879 0.072325 O\n0.072879 0.072325 0.911497 O\n0.411497 0.572325 0.572879 O\n0.572879 0.411497 0.572325 O\n0.435366 0.435366 0.435366 O\n0.572325 0.572879 0.411497 O\n",
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"formula_full": "Na6 Al6 Si6 O32",
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}
]
}