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{
"id": "mp-1255615",
"created_at": "2022-09-04T14:46:38.994305Z",
"structure_string": "Li16 V8 Si4 P8 O48\n1.0\n-7.776995 -4.492565 0.004922\n-2.592535 4.479859 -6.717533\n5.196755 -9.019182 -6.763487\nLi V Si P O\n16 8 4 8 48\ndirect\n0.964850 0.445048 0.297912 Li\n0.745509 0.757009 0.251095 Li\n0.655332 0.759100 0.493374 Li\n0.755655 0.758049 0.749613 Li\n0.452656 0.545888 0.209457 Li\n0.962253 0.032616 0.697615 Li\n0.844749 0.759011 0.993881 Li\n0.537120 0.031949 0.198126 Li\n0.440103 0.000698 0.809870 Li\n0.166934 0.223227 0.990079 Li\n0.533065 0.457056 0.803297 Li\n0.058093 0.997416 0.309691 Li\n0.265145 0.246545 0.245273 Li\n0.334282 0.224451 0.493139 Li\n0.235091 0.247219 0.744437 Li\n0.047051 0.545177 0.708586 Li\n0.748735 0.464131 0.108762 V\n0.249270 0.965542 0.108147 V\n0.751224 0.464296 0.608648 V\n0.751676 0.036437 0.389505 V\n0.250229 0.967072 0.607242 V\n0.747817 0.036576 0.889214 V\n0.255280 0.531970 0.394097 V\n0.243854 0.532446 0.893794 V\n0.453446 0.253151 0.001827 Si\n0.398411 0.896468 0.351263 Si\n0.102146 0.896865 0.851317 Si\n0.046036 0.253973 0.501651 Si\n0.948834 0.751287 0.501067 P\n0.897774 0.098066 0.146999 P\n0.551129 0.749979 0.000527 P\n0.604580 0.401492 0.351997 P\n0.895160 0.401172 0.851954 P\n0.602946 0.097434 0.646674 P\n0.102489 0.597924 0.149137 P\n0.396966 0.596761 0.648401 P\n0.930288 0.593914 0.170167 O\n0.851608 0.273602 0.161962 O\n0.845005 0.817447 0.413523 O\n0.662308 0.685415 0.085005 O\n0.850841 0.019151 0.036621 O\n0.946404 0.124942 0.428511 O\n0.837166 0.686668 0.585345 O\n0.457945 0.874735 0.067257 O\n0.946807 0.384675 0.573139 O\n0.919994 0.904267 0.829945 O\n0.829655 0.993463 0.232593 O\n0.671116 0.508319 0.266335 O\n0.580827 0.902069 0.329900 O\n0.553750 0.382732 0.073469 O\n0.650504 0.483656 0.461456 O\n0.828910 0.508377 0.766534 O\n0.325522 0.007262 0.261270 O\n0.656074 0.228825 0.337205 O\n0.360055 0.708118 0.337258 O\n0.843601 0.228613 0.837122 O\n0.341102 0.179537 0.090360 O\n0.849518 0.482800 0.961693 O\n0.341306 0.980580 0.466179 O\n0.432650 0.394429 0.330824 O\n0.569103 0.591716 0.670012 O\n0.648889 0.016138 0.536723 O\n0.147795 0.517773 0.038695 O\n0.655769 0.817272 0.914011 O\n0.653882 0.270948 0.660261 O\n0.148196 0.772573 0.160780 O\n0.351954 0.771051 0.658271 O\n0.171105 0.494385 0.235758 O\n0.669422 0.992616 0.732776 O\n0.351562 0.514113 0.538670 O\n0.454449 0.624661 0.937674 O\n0.431427 0.102306 0.668411 O\n0.328148 0.494684 0.735979 O\n0.176257 0.006075 0.760617 O\n0.068979 0.099653 0.169113 O\n0.047421 0.626450 0.440015 O\n0.552677 0.123768 0.928766 O\n0.158168 0.322390 0.409890 O\n0.039799 0.878569 0.567310 O\n0.160976 0.980136 0.965638 O\n0.341562 0.322875 0.910440 O\n0.157306 0.180893 0.590708 O\n0.139088 0.708101 0.837089 O\n0.067226 0.393756 0.831056 O\n",
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"elements": [
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"formula_full": "Li16 V8 Si4 P8 O48",
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"updated_at": "2021-11-28T01:37:37.471000Z",
"spacegroup": 1
},
{
"id": "mp-554259",
"created_at": "2022-09-04T14:47:02.134704Z",
"structure_string": "Sr4 Ag4 B28 O48\n1.0\n5.853687 3.359446 0.000000\n-5.853687 3.359446 0.000000\n0.000000 0.969755 22.349483\nSr Ag B O\n4 4 28 48\ndirect\n0.839379 0.169602 0.941862 Sr\n0.160621 0.830398 0.058138 Sr\n0.830398 0.160621 0.558138 Sr\n0.169602 0.839379 0.441862 Sr\n0.541205 0.735687 0.199776 Ag\n0.458795 0.264313 0.800224 Ag\n0.735687 0.541205 0.699776 Ag\n0.264313 0.458795 0.300224 Ag\n0.837540 0.292716 0.191690 B\n0.417299 0.655327 0.563394 B\n0.655327 0.417299 0.063394 B\n0.344673 0.582701 0.936606 B\n0.582701 0.344673 0.436606 B\n0.137111 0.230312 0.692080 B\n0.738844 0.667369 0.907437 B\n0.174968 0.839905 0.915965 B\n0.036519 0.723456 0.211307 B\n0.731239 0.573324 0.563766 B\n0.332631 0.261156 0.592563 B\n0.862889 0.769688 0.307920 B\n0.769688 0.862889 0.807920 B\n0.667369 0.738844 0.407437 B\n0.426676 0.268761 0.936234 B\n0.707284 0.162460 0.308310 B\n0.839905 0.174968 0.415965 B\n0.230312 0.137111 0.192080 B\n0.825032 0.160095 0.084035 B\n0.276544 0.963481 0.288693 B\n0.160095 0.825032 0.584035 B\n0.162460 0.707284 0.808310 B\n0.292716 0.837540 0.691690 B\n0.963481 0.276544 0.788693 B\n0.268761 0.426676 0.436234 B\n0.723456 0.036519 0.711307 B\n0.261156 0.332631 0.092563 B\n0.573324 0.731239 0.063766 B\n0.262533 0.426710 0.567960 O\n0.841203 0.710852 0.248662 O\n0.041851 0.175175 0.069234 O\n0.423378 0.656041 0.427166 O\n0.175175 0.041851 0.569234 O\n0.876973 0.076808 0.832695 O\n0.042906 0.362107 0.446424 O\n0.208581 0.791419 0.750000 O\n0.045742 0.478586 0.824096 O\n0.824825 0.958149 0.430766 O\n0.957094 0.637893 0.553576 O\n0.331996 0.279072 0.658807 O\n0.656041 0.423378 0.927166 O\n0.362107 0.042906 0.946424 O\n0.654234 0.730247 0.563509 O\n0.573290 0.737467 0.932040 O\n0.345766 0.269753 0.436491 O\n0.826104 0.366705 0.056162 O\n0.289148 0.158797 0.251338 O\n0.923192 0.123027 0.667305 O\n0.954258 0.521414 0.175904 O\n0.760660 0.129091 0.148401 O\n0.366705 0.826104 0.556162 O\n0.173896 0.633295 0.943838 O\n0.637893 0.957094 0.053576 O\n0.269753 0.345766 0.936491 O\n0.633295 0.173896 0.443838 O\n0.791419 0.208581 0.250000 O\n0.478586 0.045742 0.324096 O\n0.730247 0.654234 0.063509 O\n0.720928 0.668004 0.841193 O\n0.158797 0.289148 0.751338 O\n0.230609 0.769391 0.250000 O\n0.123027 0.923192 0.167305 O\n0.668004 0.720928 0.341193 O\n0.343959 0.576622 0.072834 O\n0.958149 0.824825 0.930766 O\n0.737467 0.573290 0.432040 O\n0.076808 0.876973 0.332695 O\n0.129091 0.760660 0.648401 O\n0.710852 0.841203 0.748662 O\n0.279072 0.331996 0.158807 O\n0.239340 0.870909 0.851599 O\n0.576622 0.343959 0.572834 O\n0.521414 0.954258 0.675904 O\n0.426710 0.262533 0.067960 O\n0.870909 0.239340 0.351599 O\n0.769391 0.230609 0.750000 O\n",
"nsites": 84,
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"elements": [
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"Ag",
"B",
"O"
],
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"density": 3.4998031720088623,
"density_atomic": 0.09556187179531025,
"volume": 879.0116646095493,
"volume_molar": 6.301823778524542,
"formula_full": "Sr4 Ag4 B28 O48",
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"spacegroup": 15
},
{
"id": "mp-1227897",
"created_at": "2022-09-04T14:47:02.559206Z",
"structure_string": "Ca8 Al11 Fe1 Si12 O52\n1.0\n5.669402 0.000000 0.000000\n0.000000 8.936672 0.000000\n0.000000 0.216076 18.626104\nCa Al Fe Si O\n8 11 1 12 52\ndirect\n0.500000 0.886711 0.289259 Ca\n0.500000 0.387801 0.790541 Ca\n0.000000 0.613252 0.210167 Ca\n0.000000 0.110909 0.710352 Ca\n0.500000 0.186411 0.424465 Ca\n0.500000 0.687059 0.924018 Ca\n0.000000 0.313319 0.076107 Ca\n0.000000 0.810512 0.578072 Ca\n0.750004 0.000111 0.999984 Al\n0.749432 0.496906 0.501006 Al\n0.249996 0.000111 0.999984 Al\n0.250568 0.496906 0.501006 Al\n0.749196 0.251194 0.249267 Al\n0.750028 0.750331 0.750538 Al\n0.250804 0.251194 0.249267 Al\n0.249972 0.750331 0.750538 Al\n0.000000 0.171018 0.883933 Al\n0.500000 0.829497 0.116017 Al\n0.500000 0.327842 0.617026 Al\n0.000000 0.675564 0.386752 Fe\n0.500000 0.814353 0.476785 Si\n0.500000 0.314507 0.976188 Si\n0.000000 0.685669 0.023526 Si\n0.000000 0.183349 0.524069 Si\n0.500000 0.524931 0.340493 Si\n0.500000 0.026531 0.842002 Si\n0.000000 0.973732 0.158086 Si\n0.000000 0.472972 0.659030 Si\n0.000000 0.048182 0.363583 Si\n0.000000 0.540180 0.864510 Si\n0.500000 0.460069 0.134937 Si\n0.500000 0.959265 0.635786 Si\n0.000000 0.873209 0.345570 O\n0.000000 0.363181 0.852501 O\n0.500000 0.637317 0.146593 O\n0.500000 0.135930 0.648463 O\n0.000000 0.486916 0.438113 O\n0.000000 0.996855 0.935772 O\n0.500000 0.003423 0.063987 O\n0.500000 0.501371 0.564547 O\n0.743549 0.711609 0.480859 O\n0.744407 0.213185 0.979186 O\n0.244115 0.787073 0.020188 O\n0.245196 0.284252 0.521738 O\n0.755885 0.787073 0.020188 O\n0.754804 0.284252 0.521738 O\n0.256451 0.711609 0.480859 O\n0.255593 0.213185 0.979186 O\n0.764049 0.129718 0.330785 O\n0.765263 0.621650 0.829693 O\n0.265680 0.378186 0.169547 O\n0.265973 0.877257 0.670571 O\n0.734320 0.378186 0.169547 O\n0.734027 0.877257 0.670571 O\n0.235951 0.129718 0.330785 O\n0.234737 0.621650 0.829693 O\n0.500000 0.366108 0.296739 O\n0.500000 0.866000 0.798440 O\n0.000000 0.133495 0.202151 O\n0.000000 0.634216 0.702019 O\n0.500000 0.927316 0.409944 O\n0.500000 0.429640 0.910122 O\n0.000000 0.570747 0.089580 O\n0.000000 0.068025 0.590106 O\n0.500000 0.469699 0.427094 O\n0.500000 0.969560 0.927866 O\n0.000000 0.030917 0.072087 O\n0.000000 0.529131 0.572985 O\n0.000000 0.080141 0.450301 O\n0.000000 0.581878 0.950108 O\n0.500000 0.418562 0.049355 O\n0.500000 0.918796 0.549820 O\n0.000000 0.369434 0.277743 O\n0.000000 0.868526 0.779315 O\n0.500000 0.130581 0.221370 O\n0.500000 0.632234 0.721185 O\n0.729177 0.630690 0.320200 O\n0.734468 0.130262 0.823805 O\n0.234650 0.869806 0.175754 O\n0.234650 0.369347 0.677089 O\n0.765350 0.869806 0.175754 O\n0.765350 0.369347 0.677089 O\n0.270823 0.630690 0.320200 O\n0.265532 0.130262 0.823805 O\n",
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"elements": [
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],
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"formula_full": "Ca8 Al11 Fe1 Si12 O52",
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},
{
"id": "mp-566593",
"created_at": "2022-09-04T14:45:21.347479Z",
"structure_string": "Li12 Mn6 Sn18 O48\n1.0\n5.393321 -9.340916 0.000000\n5.393321 9.340916 0.000000\n0.000000 0.000000 10.076087\nLi Mn Sn O\n12 6 18 48\ndirect\n0.982698 0.982698 0.719984 Li\n0.017302 0.017302 0.219984 Li\n0.665318 0.164749 0.993682 Li\n0.334682 0.835251 0.493682 Li\n0.303998 0.664780 0.223368 Li\n0.833578 0.833578 0.495201 Li\n0.835251 0.334682 0.493682 Li\n0.335220 0.696002 0.723368 Li\n0.164749 0.665318 0.993682 Li\n0.696002 0.335220 0.723368 Li\n0.664780 0.303998 0.223368 Li\n0.166422 0.166422 0.995201 Li\n0.000786 0.666719 0.313096 Mn\n0.666719 0.000786 0.313096 Mn\n0.666747 0.666747 0.814023 Mn\n0.333253 0.333253 0.314023 Mn\n0.999214 0.333281 0.813096 Mn\n0.333281 0.999214 0.813096 Mn\n0.321206 0.492588 0.999675 Sn\n0.492588 0.321206 0.999675 Sn\n0.329920 0.329920 0.720573 Sn\n0.670080 0.670080 0.220573 Sn\n0.507412 0.678794 0.499675 Sn\n0.160663 0.986576 0.500157 Sn\n0.504446 0.161824 0.502138 Sn\n0.678794 0.507412 0.499675 Sn\n0.332993 0.997242 0.221171 Sn\n0.997242 0.332993 0.221171 Sn\n0.986576 0.160663 0.500157 Sn\n0.839337 0.013424 0.000157 Sn\n0.161824 0.504446 0.502138 Sn\n0.495554 0.838176 0.002138 Sn\n0.838176 0.495554 0.002138 Sn\n0.667007 0.002758 0.721171 Sn\n0.002758 0.667007 0.721171 Sn\n0.013424 0.839337 0.000157 Sn\n0.851357 0.670002 0.875145 O\n0.333145 0.004574 0.605918 O\n0.183606 0.854174 0.364865 O\n0.661289 0.661289 0.608794 O\n0.487832 0.012901 0.363112 O\n0.659247 0.810497 0.361002 O\n0.664442 0.496790 0.112729 O\n0.996622 0.165340 0.119486 O\n0.663373 0.333766 0.404289 O\n0.003025 0.003025 0.403335 O\n0.666855 0.995426 0.105918 O\n0.333766 0.663373 0.404289 O\n0.340753 0.189503 0.861002 O\n0.830900 0.504981 0.619830 O\n0.670002 0.851357 0.875145 O\n0.834660 0.003378 0.619486 O\n0.816394 0.145826 0.864865 O\n0.335558 0.503210 0.612729 O\n0.666234 0.336627 0.904289 O\n0.004574 0.333145 0.605918 O\n0.987099 0.512168 0.863112 O\n0.329998 0.148643 0.375145 O\n0.854174 0.183606 0.364865 O\n0.189503 0.340753 0.861002 O\n0.012901 0.487832 0.363112 O\n0.503210 0.335558 0.612729 O\n0.996975 0.996975 0.903335 O\n0.003378 0.834660 0.619486 O\n0.810497 0.659247 0.361002 O\n0.512168 0.987099 0.863112 O\n0.661243 0.166661 0.622130 O\n0.336627 0.666234 0.904289 O\n0.504981 0.830900 0.619830 O\n0.840976 0.840976 0.116948 O\n0.518964 0.518964 0.370553 O\n0.496790 0.664442 0.112729 O\n0.165340 0.996622 0.119486 O\n0.338757 0.833339 0.122130 O\n0.148643 0.329998 0.375145 O\n0.995426 0.666855 0.105918 O\n0.833339 0.338757 0.122130 O\n0.481036 0.481036 0.870553 O\n0.338711 0.338711 0.108794 O\n0.166661 0.661243 0.622130 O\n0.145826 0.816394 0.864865 O\n0.495019 0.169100 0.119830 O\n0.169100 0.495019 0.119830 O\n0.159024 0.159024 0.616948 O\n",
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},
{
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}