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{
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{
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{
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"spacegroup": 194
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{
"id": "mp-1250278",
"created_at": "2022-09-04T14:39:28.610687Z",
"structure_string": "Mg8 V8 Si12 O48\n1.0\n-5.860146 5.860146 5.951182\n5.860146 -5.860146 5.951182\n5.860146 5.860146 -5.951182\nMg V Si O\n8 8 12 48\ndirect\n0.245578 0.875000 0.870578 Mg\n0.125000 0.495578 0.870578 Mg\n0.625000 0.254422 0.129422 Mg\n0.004422 0.375000 0.129422 Mg\n0.504422 0.375000 0.629422 Mg\n0.625000 0.754422 0.629422 Mg\n0.125000 0.995578 0.370578 Mg\n0.745578 0.875000 0.370578 Mg\n0.375000 0.125000 0.250000 V\n0.875000 0.625000 0.750000 V\n0.375000 0.625000 0.250000 V\n0.875000 0.125000 0.750000 V\n0.875000 0.625000 0.250000 V\n0.375000 0.625000 0.750000 V\n0.375000 0.125000 0.750000 V\n0.875000 0.125000 0.250000 V\n0.749187 0.375000 0.874187 Si\n0.625000 0.499187 0.374187 Si\n0.000000 0.000000 0.000000 Si\n0.125000 0.250813 0.625813 Si\n0.500000 0.500000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.249187 0.375000 0.374187 Si\n0.750000 0.250000 0.500000 Si\n0.500813 0.875000 0.125813 Si\n0.125000 0.750813 0.125813 Si\n0.625000 0.999187 0.874187 Si\n0.000813 0.875000 0.625813 Si\n0.752847 0.514340 0.826800 O\n0.676047 0.002847 0.738507 O\n0.264340 0.937540 0.261493 O\n0.567492 0.221699 0.454219 O\n0.682508 0.636727 0.154207 O\n0.857508 0.918703 0.624933 O\n0.956230 0.831297 0.438805 O\n0.863273 0.817492 0.845793 O\n0.668703 0.543770 0.561195 O\n0.278301 0.932508 0.545781 O\n0.581297 0.642492 0.375067 O\n0.971699 0.017481 0.154207 O\n0.267425 0.206230 0.624933 O\n0.982575 0.107508 0.438805 O\n0.386727 0.732519 0.454219 O\n0.687540 0.926047 0.173200 O\n0.985660 0.747153 0.173200 O\n0.497153 0.823953 0.261493 O\n0.767481 0.113273 0.545781 O\n0.562460 0.235660 0.738507 O\n0.392492 0.517425 0.561195 O\n0.573953 0.812460 0.826800 O\n0.482519 0.528301 0.845793 O\n0.293770 0.232575 0.375067 O\n0.997153 0.735660 0.673200 O\n0.073953 0.247153 0.761493 O\n0.485660 0.312460 0.238507 O\n0.182508 0.028301 0.045781 O\n0.067492 0.613273 0.345793 O\n0.892492 0.331297 0.875067 O\n0.793770 0.418703 0.061195 O\n0.886727 0.432508 0.654207 O\n0.081297 0.706230 0.938805 O\n0.471699 0.317492 0.954219 O\n0.168703 0.607508 0.124933 O\n0.778301 0.232519 0.345793 O\n0.482575 0.043770 0.875067 O\n0.767425 0.142492 0.061195 O\n0.363273 0.517481 0.045781 O\n0.062460 0.323953 0.326800 O\n0.764340 0.502847 0.326800 O\n0.252847 0.426047 0.238507 O\n0.982519 0.136727 0.954219 O\n0.187540 0.014340 0.761493 O\n0.357508 0.732575 0.938805 O\n0.176047 0.437540 0.673200 O\n0.267481 0.721699 0.654207 O\n0.456230 0.017425 0.124933 O\n",
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"density": 3.467326082616223,
"density_atomic": 0.09296800176908972,
"volume": 817.485570882397,
"volume_molar": 6.477648917266779,
"formula_full": "Mg8 V8 Si12 O48",
"formula_reduced": "Mg2V2(SiO4)3",
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"energy": -608.84294885,
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{
"id": "mp-1100903",
"created_at": "2022-09-04T14:39:28.613098Z",
"structure_string": "V1 Rh1 O4\n1.0\n3.235657 -3.241941 0.000000\n3.235657 3.241941 0.000000\n0.000000 0.000000 3.026939\nV Rh O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Rh\n0.701007 0.298993 0.000000 O\n0.190732 0.190732 0.500000 O\n0.809268 0.809268 0.500000 O\n0.298993 0.701007 0.000000 O\n",
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"volume": 63.50402447558579,
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{
"id": "mp-1035212",
"created_at": "2022-09-04T14:39:27.739386Z",
"structure_string": "Li1 Hf1 Mg14 O15\n1.0\n8.611974 0.000000 0.000000\n0.000000 8.619699 0.000000\n0.000000 0.000000 4.278671\nLi Hf Mg O\n1 1 14 15\ndirect\n0.992435 0.000000 0.000000 Li\n0.999912 0.500000 0.000000 Hf\n0.500935 0.000000 0.000000 Mg\n0.500750 0.500000 0.000000 Mg\n0.000677 0.233498 0.500000 Mg\n0.000677 0.766502 0.500000 Mg\n0.500226 0.247304 0.500000 Mg\n0.500226 0.752696 0.500000 Mg\n0.246328 0.000000 0.500000 Mg\n0.257099 0.500000 0.500000 Mg\n0.754703 0.000000 0.500000 Mg\n0.743335 0.500000 0.500000 Mg\n0.254134 0.242475 0.000000 Mg\n0.254134 0.757525 0.000000 Mg\n0.747308 0.240766 0.000000 Mg\n0.747308 0.759234 0.000000 Mg\n0.254895 0.500000 0.000000 O\n0.743376 0.000000 0.000000 O\n0.745726 0.500000 0.000000 O\n0.248896 0.253467 0.500000 O\n0.248896 0.746533 0.500000 O\n0.751709 0.251221 0.500000 O\n0.751709 0.748779 0.500000 O\n0.999905 0.000000 0.500000 O\n0.999746 0.500000 0.500000 O\n0.502832 0.000000 0.500000 O\n0.500369 0.500000 0.500000 O\n0.999181 0.256368 -0.000000 O\n0.999181 0.743632 -0.000000 O\n0.501696 0.252956 0.000000 O\n0.501696 0.747044 0.000000 O\n",
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{
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"structure_string": "Mg4 Si16 W4 O40\n1.0\n7.452853 0.000000 0.000000\n0.000000 7.452853 0.000000\n0.000000 0.000000 15.011017\nMg Si W O\n4 16 4 40\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.152622 0.241406 0.646730 Si\n0.847378 0.758594 0.646730 Si\n0.241406 0.152622 0.853270 Si\n0.741406 0.347378 0.646730 Si\n0.258594 0.652622 0.646730 Si\n0.347378 0.741406 0.853270 Si\n0.652622 0.258594 0.853270 Si\n0.758594 0.847378 0.853270 Si\n0.347378 0.258594 0.353270 Si\n0.652622 0.741406 0.353270 Si\n0.258594 0.347378 0.146730 Si\n0.758594 0.152622 0.353270 Si\n0.241406 0.847378 0.353270 Si\n0.152622 0.758594 0.146730 Si\n0.847378 0.241406 0.146730 Si\n0.741406 0.652622 0.146730 Si\n0.500000 0.000000 0.573950 W\n0.000000 0.500000 0.926050 W\n0.000000 0.500000 0.426050 W\n0.500000 0.000000 0.073950 W\n0.218345 0.091465 0.575409 O\n0.781655 0.908535 0.575409 O\n0.091465 0.218345 0.924591 O\n0.591465 0.281655 0.575409 O\n0.408535 0.718345 0.575409 O\n0.281655 0.591465 0.924591 O\n0.718345 0.408535 0.924591 O\n0.908535 0.781655 0.924591 O\n0.281655 0.408535 0.424591 O\n0.718345 0.591465 0.424591 O\n0.408535 0.281655 0.075409 O\n0.908535 0.218345 0.424591 O\n0.091465 0.781655 0.424591 O\n0.218345 0.908535 0.075409 O\n0.781655 0.091465 0.075409 O\n0.255954 0.063279 0.371236 O\n0.591465 0.718345 0.075409 O\n0.755954 0.563279 0.628764 O\n0.436721 0.244046 0.871236 O\n0.936721 0.255954 0.628764 O\n0.063279 0.744046 0.628764 O\n0.255954 0.936721 0.871236 O\n0.744046 0.063279 0.871236 O\n0.563279 0.755954 0.871236 O\n0.688447 0.688447 0.250000 O\n0.811553 0.188447 0.250000 O\n0.188447 0.811553 0.250000 O\n0.311553 0.311553 0.250000 O\n0.811553 0.811553 0.750000 O\n0.688447 0.311553 0.750000 O\n0.311553 0.688447 0.750000 O\n0.188447 0.188447 0.750000 O\n0.936721 0.744046 0.128764 O\n0.755954 0.436721 0.128764 O\n0.244046 0.563279 0.128764 O\n0.436721 0.755954 0.371236 O\n0.563279 0.244046 0.371236 O\n0.063279 0.255954 0.128764 O\n0.744046 0.936721 0.371236 O\n0.244046 0.436721 0.628764 O\n",
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{
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{
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