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{
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{
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"created_at": "2022-09-04T14:39:25.998526Z",
"structure_string": "Mg4 V4 Si8 O24\n1.0\n0.206663 -0.096777 6.783396\n10.566615 0.260630 2.493675\n1.470249 6.608088 0.557474\nMg V Si O\n4 4 8 24\ndirect\n0.755289 0.374398 0.242975 Mg\n0.755237 0.874342 0.243051 Mg\n0.244711 0.125601 0.757012 Mg\n0.244764 0.625654 0.756959 Mg\n0.903644 0.623659 0.094919 V\n0.096341 0.876352 0.905099 V\n0.903304 0.123670 0.095078 V\n0.096701 0.376327 0.904910 V\n0.386057 0.109921 0.212816 Si\n0.386125 0.609963 0.212773 Si\n0.787374 0.140051 0.611834 Si\n0.787502 0.640030 0.611869 Si\n0.212626 0.359950 0.388153 Si\n0.212499 0.859968 0.388142 Si\n0.613939 0.390078 0.787178 Si\n0.613881 0.890038 0.787232 Si\n0.364371 0.222894 0.342522 O\n0.364319 0.722913 0.342554 O\n0.658576 0.026755 0.636244 O\n0.658635 0.526775 0.636200 O\n0.635633 0.277109 0.657465 O\n0.635685 0.777089 0.657450 O\n0.341422 0.473247 0.363755 O\n0.341356 0.973229 0.363807 O\n0.619626 0.064664 0.138603 O\n0.619724 0.564702 0.138650 O\n0.859183 0.184292 0.378043 O\n0.859339 0.684244 0.378080 O\n0.380371 0.435330 0.861402 O\n0.380282 0.935300 0.861355 O\n0.140813 0.315708 0.621944 O\n0.140668 0.815753 0.621932 O\n0.031365 0.416579 0.217024 O\n0.031243 0.916673 0.216995 O\n0.786825 0.331954 0.966859 O\n0.786758 0.831899 0.966929 O\n0.213173 0.168043 0.033134 O\n0.213248 0.668102 0.033076 O\n0.968635 0.083420 0.782965 O\n0.968755 0.583324 0.783017 O\n",
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{
"id": "mp-1264059",
"created_at": "2022-09-04T14:41:35.814144Z",
"structure_string": "Mg4 V4 Si4 O20\n1.0\n3.201936 -0.025459 -4.357347\n2.734056 -6.421256 -0.161098\n-6.436527 -6.562508 -4.183583\nMg V Si O\n4 4 4 20\ndirect\n0.545104 0.871496 0.324384 Mg\n0.045357 0.371600 0.824354 Mg\n0.494082 0.023745 0.680337 Mg\n0.994826 0.522613 0.180201 Mg\n0.988395 0.993679 0.494552 V\n0.511553 0.978078 0.006571 V\n0.488409 0.493643 0.994603 V\n0.011361 0.478333 0.506471 V\n0.475109 0.604675 0.652335 Si\n0.975121 0.104576 0.152322 Si\n0.517254 0.395868 0.346409 Si\n0.017329 0.895952 0.846368 Si\n0.270972 0.462018 0.657068 O\n0.770601 0.962346 0.157090 O\n0.629553 0.167825 0.486110 O\n0.129616 0.668004 0.986063 O\n0.371764 0.829891 0.508315 O\n0.872303 0.329951 0.008388 O\n0.713262 0.545404 0.347594 O\n0.213341 0.045477 0.847592 O\n0.468653 0.352229 0.199999 O\n0.968800 0.852209 0.700020 O\n0.271814 0.966520 0.152350 O\n0.771876 0.466932 0.652272 O\n0.720404 0.029409 0.851172 O\n0.220307 0.529311 0.351136 O\n0.497001 0.681520 0.788034 O\n0.997259 0.181325 0.288044 O\n0.123663 0.194755 0.551068 O\n0.623778 0.694726 0.051090 O\n0.890071 0.797685 0.448774 O\n0.390188 0.297646 0.949033 O\n",
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{
"id": "mp-1261307",
"created_at": "2022-09-04T14:46:56.894550Z",
"structure_string": "Mg4 V8 Si12 O48\n1.0\n-5.834650 5.834650 5.897257\n5.834650 -5.834650 5.897257\n5.834650 5.834650 -5.897257\nMg V Si O\n4 8 12 48\ndirect\n0.750000 0.750000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.250000 0.250000 0.000000 Mg\n0.875000 0.125000 0.250000 V\n0.875000 0.625000 0.250000 V\n0.375000 0.125000 0.250000 V\n0.375000 0.625000 0.250000 V\n0.375000 0.125000 0.750000 V\n0.875000 0.625000 0.750000 V\n0.375000 0.625000 0.750000 V\n0.875000 0.125000 0.750000 V\n0.250000 0.750000 0.500000 Si\n0.625000 0.249731 0.124731 Si\n0.750269 0.875000 0.375269 Si\n0.125000 0.500269 0.875269 Si\n0.250269 0.875000 0.875269 Si\n0.499731 0.375000 0.624731 Si\n0.750000 0.250000 0.500000 Si\n0.999731 0.375000 0.124731 Si\n0.000000 0.000000 0.000000 Si\n0.125000 0.000269 0.375269 Si\n0.625000 0.749731 0.624731 Si\n0.500000 0.500000 0.000000 Si\n0.061912 0.702948 0.450149 O\n0.476226 0.620957 0.438080 O\n0.067123 0.129043 0.355270 O\n0.984660 0.323456 0.259801 O\n0.265340 0.025140 0.838796 O\n0.452948 0.502799 0.141036 O\n0.361763 0.311912 0.858964 O\n0.788146 0.726226 0.355270 O\n0.775140 0.436345 0.259801 O\n0.370957 0.432877 0.644730 O\n0.474860 0.234660 0.161204 O\n0.879043 0.023774 0.561920 O\n0.176544 0.515340 0.740199 O\n0.073456 0.313655 0.838796 O\n0.461854 0.317123 0.438080 O\n0.997201 0.047052 0.858964 O\n0.182877 0.038146 0.561920 O\n0.188088 0.138237 0.141036 O\n0.186345 0.426544 0.161204 O\n0.252799 0.611763 0.549851 O\n0.797052 0.438088 0.549851 O\n0.773774 0.711854 0.644730 O\n0.063655 0.724860 0.740199 O\n0.888237 0.247201 0.450149 O\n0.688088 0.547052 0.049851 O\n0.273774 0.629043 0.061920 O\n0.682877 0.120957 0.144730 O\n0.765340 0.926544 0.240199 O\n0.484660 0.224860 0.661204 O\n0.297052 0.747201 0.358964 O\n0.388237 0.938088 0.641036 O\n0.961854 0.523774 0.144730 O\n0.974860 0.813655 0.240199 O\n0.379043 0.817123 0.855270 O\n0.275140 0.015340 0.338796 O\n0.870957 0.226226 0.938080 O\n0.573456 0.734660 0.759801 O\n0.676544 0.936345 0.661204 O\n0.288146 0.932877 0.061920 O\n0.752799 0.202948 0.641036 O\n0.567123 0.211854 0.938080 O\n0.561912 0.111763 0.358964 O\n0.563655 0.823456 0.338796 O\n0.497201 0.638237 0.950149 O\n0.952948 0.811912 0.950149 O\n0.976226 0.538146 0.855270 O\n0.686345 0.525140 0.759801 O\n0.861763 0.002799 0.049851 O\n",
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{
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{
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"nelements": 4,
"elements": [
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],
"chemical_system": "Mg-O-Si-W",
"density": 4.9680172256348865,
"density_atomic": 0.08303377580459907,
"volume": 963.4633524104894,
"volume_molar": 7.252639906646815,
"formula_full": "Mg8 Si16 W8 O48",
"formula_reduced": "MgSi2WO6",
"formula_anonymous": "ABC2D6",
"energy": -647.01804239,
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"formation_energy": null,
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"energy_uncorrected": -578.53804239,
"band_gap": 1.1501,
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"total_magnetization": 32.0001509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.925000Z",
"spacegroup": 61
},
{
"id": "mp-1157231",
"created_at": "2022-09-04T14:42:38.582406Z",
"structure_string": "Mg12 Si12 W8 O48\n1.0\n-6.048198 6.048198 6.048198\n6.048198 -6.048198 6.048198\n6.048198 6.048198 -6.048198\nMg Si W O\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Mg\n0.750000 0.125000 0.375000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.250000 0.875000 0.625000 Mg\n0.125000 0.250000 0.375000 Mg\n0.625000 0.250000 0.875000 Mg\n0.750000 0.625000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.875000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.594170 0.894752 0.372303 O\n0.372303 0.594170 0.894752 O\n0.278133 0.300582 0.905830 O\n0.477551 0.605248 0.199418 O\n0.300582 0.894752 0.022449 O\n0.127697 0.022449 0.221867 O\n0.372303 0.278133 0.477551 O\n0.894752 0.372303 0.594170 O\n0.199418 0.221867 0.594170 O\n0.477551 0.372303 0.278133 O\n0.894752 0.022449 0.300582 O\n0.605248 0.905830 0.127697 O\n0.905830 0.127697 0.605248 O\n0.278133 0.477551 0.372303 O\n0.594170 0.199418 0.221867 O\n0.221867 0.594170 0.199418 O\n0.022449 0.300582 0.894752 O\n0.905830 0.278133 0.300582 O\n0.022449 0.221867 0.127697 O\n0.800582 0.778133 0.405830 O\n0.199418 0.477551 0.605248 O\n0.605248 0.199418 0.477551 O\n0.221867 0.127697 0.022449 O\n0.127697 0.605248 0.905830 O\n0.405830 0.105248 0.627697 O\n0.627697 0.405830 0.105248 O\n0.721867 0.699418 0.094170 O\n0.522449 0.394752 0.800582 O\n0.699418 0.105248 0.977551 O\n0.872303 0.977551 0.778133 O\n0.627697 0.721867 0.522449 O\n0.105248 0.627697 0.405830 O\n0.872303 0.394752 0.094170 O\n0.778133 0.872303 0.977551 O\n0.394752 0.800582 0.522449 O\n0.699418 0.094170 0.721867 O\n0.800582 0.522449 0.394752 O\n0.977551 0.778133 0.872303 O\n0.094170 0.721867 0.699418 O\n0.977551 0.699418 0.105248 O\n0.778133 0.405830 0.800582 O\n0.405830 0.800582 0.778133 O\n0.721867 0.522449 0.627697 O\n0.094170 0.872303 0.394752 O\n0.394752 0.094170 0.872303 O\n0.105248 0.977551 0.699418 O\n0.522449 0.627697 0.721867 O\n0.300582 0.905830 0.278133 O\n",
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],
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"formula_full": "Mg12 Si12 W8 O48",
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"updated_at": "2021-11-28T01:35:51.697000Z",
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}
]
}