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{
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{
"id": "mp-1189708",
"created_at": "2022-09-04T14:40:01.729253Z",
"structure_string": "Na3 Ag3 W2 O6 F6\n1.0\n9.883148 -2.918937 0.000000\n9.883148 2.918937 0.000000\n9.021055 0.000000 4.981704\nNa Ag W O F\n3 3 2 6 6\ndirect\n0.133668 0.133668 0.133668 Na\n0.866332 0.866332 0.866332 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ag\n0.370187 0.370187 0.370187 Ag\n0.629813 0.629813 0.629813 Ag\n0.254154 0.254154 0.254154 W\n0.745846 0.745846 0.745846 W\n0.576595 0.249151 0.020686 O\n0.249151 0.020686 0.576595 O\n0.020686 0.576595 0.249151 O\n0.423405 0.750849 0.979314 O\n0.750849 0.979314 0.423405 O\n0.979314 0.423405 0.750849 O\n0.070787 0.761663 0.554440 F\n0.761663 0.554440 0.070787 F\n0.554440 0.070787 0.761663 F\n0.929213 0.238337 0.445560 F\n0.238337 0.445560 0.929213 F\n0.445560 0.929213 0.238337 F\n",
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{
"id": "mp-1235454",
"created_at": "2022-09-04T14:40:01.782164Z",
"structure_string": "Sr2 Li1 V2 Si4 O14\n1.0\n5.122981 0.000000 -1.861008\n0.000000 7.258422 0.000000\n0.101299 0.000000 8.260628\nSr Li V Si O\n2 1 2 4 14\ndirect\n0.148760 0.750000 0.297520 Sr\n0.795041 0.250000 0.590082 Sr\n0.328161 0.750000 0.656322 Li\n0.893703 0.750000 0.787405 V\n0.112290 0.250000 0.224581 V\n0.400670 0.464167 0.801339 Si\n0.605499 0.520023 0.211000 Si\n0.605499 0.979977 0.211000 Si\n0.400670 0.035833 0.801339 Si\n0.624007 0.750000 0.248013 O\n0.366134 0.250000 0.732267 O\n0.504019 0.475595 0.008039 O\n0.504019 0.024405 0.008039 O\n0.597047 0.556363 0.712281 O\n0.899538 0.440828 0.304302 O\n0.404763 0.059172 0.304302 O\n0.115234 0.943637 0.712281 O\n0.007731 0.250000 0.015463 O\n0.008131 0.750000 0.016262 O\n0.899538 0.059172 0.304302 O\n0.597047 0.943637 0.712281 O\n0.115234 0.556363 0.712281 O\n0.404763 0.440828 0.304302 O\n",
"nsites": 23,
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"elements": [
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],
"chemical_system": "Li-O-Si-Sr-V",
"density": 3.338957035486694,
"density_atomic": 0.07454516154214091,
"volume": 308.5377980836212,
"volume_molar": 8.078513260174024,
"formula_full": "Sr2 Li1 V2 Si4 O14",
"formula_reduced": "Sr2LiV2(Si2O7)2",
"formula_anonymous": "AB2C2D4E14",
"energy": -182.63035112,
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"updated_at": "2021-11-28T01:34:47.728000Z",
"spacegroup": 38
},
{
"id": "mp-1022604",
"created_at": "2022-09-04T14:40:01.110989Z",
"structure_string": "Mg12 Zn2 Si2\n1.0\n4.823345 0.000000 0.000000\n0.000000 6.444737 0.000000\n0.000000 0.000000 10.409993\nMg Zn Si\n12 2 2\ndirect\n0.500000 0.249188 0.584933 Mg\n0.500000 0.750812 0.584933 Mg\n0.000000 0.251367 0.412062 Mg\n0.000000 0.748633 0.412062 Mg\n0.000000 0.000000 0.669055 Mg\n0.000000 0.000000 0.169144 Mg\n0.500000 0.749188 0.084933 Mg\n0.500000 0.250812 0.084933 Mg\n0.000000 0.751367 0.912062 Mg\n0.000000 0.248633 0.912062 Mg\n0.000000 0.500000 0.169055 Mg\n0.000000 0.500000 0.669144 Mg\n0.500000 0.000000 0.833637 Zn\n0.500000 0.500000 0.333637 Zn\n0.500000 0.000000 0.334179 Si\n0.500000 0.500000 0.834179 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Zn",
"Si"
],
"chemical_system": "Mg-Si-Zn",
"density": 2.4561918720962796,
"density_atomic": 0.04944427567572347,
"volume": 323.59661015027876,
"volume_molar": 12.179652098648898,
"formula_full": "Mg12 Zn2 Si2",
"formula_reduced": "Mg6ZnSi",
"formula_anonymous": "ABC6",
"energy": -31.77346881,
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"updated_at": "2021-11-28T01:34:45.249000Z",
"spacegroup": 38
},
{
"id": "mp-1185507",
"created_at": "2022-09-04T14:40:01.141598Z",
"structure_string": "Lu1 Ag1 Hg2\n1.0\n0.000000 3.510812 3.510812\n3.510812 0.000000 3.510812\n3.510812 3.510812 0.000000\nLu Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Hg-Lu",
"density": 13.123876415073642,
"density_atomic": 0.046217587630058544,
"volume": 86.54713941405542,
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"formula_full": "Lu1 Ag1 Hg2",
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"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.827000Z",
"spacegroup": 225
},
{
"id": "mp-1196063",
"created_at": "2022-09-04T14:40:01.157667Z",
"structure_string": "Ga16 Se16 O56\n1.0\n6.686548 0.000000 0.000000\n0.000000 12.867940 0.000000\n0.000000 0.000000 13.571057\nGa Se O\n16 16 56\ndirect\n0.476703 0.377741 0.473097 Ga\n0.023297 0.122259 0.473097 Ga\n0.976703 0.622259 0.026903 Ga\n0.523297 0.877741 0.026903 Ga\n0.523297 0.622259 0.526903 Ga\n0.976703 0.877741 0.526903 Ga\n0.023297 0.377741 0.973097 Ga\n0.476703 0.122259 0.973097 Ga\n0.250000 0.250000 0.296601 Ga\n0.750000 0.750000 0.203399 Ga\n0.750000 0.750000 0.703399 Ga\n0.250000 0.250000 0.796601 Ga\n0.750000 0.250000 0.331132 Ga\n0.250000 0.750000 0.168868 Ga\n0.250000 0.750000 0.668868 Ga\n0.750000 0.250000 0.831132 Ga\n0.517476 0.134109 0.535380 Se\n0.982524 0.365891 0.535380 Se\n0.017476 0.865891 0.964620 Se\n0.482524 0.634109 0.964620 Se\n0.482524 0.865891 0.464620 Se\n0.017476 0.634109 0.464620 Se\n0.982524 0.134109 0.035380 Se\n0.517476 0.365891 0.035380 Se\n0.507110 0.447652 0.718299 Se\n0.992890 0.052348 0.718299 Se\n0.007110 0.552348 0.781701 Se\n0.492890 0.947652 0.781701 Se\n0.492890 0.552348 0.281701 Se\n0.007110 0.947652 0.281701 Se\n0.992890 0.447652 0.218299 Se\n0.507110 0.052348 0.218299 Se\n0.511708 0.475601 0.589312 O\n0.988292 0.024399 0.589312 O\n0.011708 0.524399 0.910688 O\n0.488292 0.975601 0.910688 O\n0.488292 0.524399 0.410688 O\n0.011708 0.975601 0.410688 O\n0.988292 0.475601 0.089312 O\n0.511708 0.024399 0.089312 O\n0.487280 0.262311 0.564554 O\n0.012720 0.237689 0.564554 O\n0.987280 0.737689 0.935446 O\n0.512720 0.762311 0.935446 O\n0.512720 0.737689 0.435446 O\n0.987280 0.762311 0.435446 O\n0.012720 0.262311 0.064554 O\n0.487280 0.237689 0.064554 O\n0.484621 0.296711 0.352391 O\n0.015379 0.203289 0.352391 O\n0.984621 0.703289 0.147609 O\n0.515379 0.796711 0.147609 O\n0.515379 0.703289 0.647609 O\n0.984621 0.796711 0.647609 O\n0.015379 0.296711 0.852391 O\n0.484621 0.203289 0.852391 O\n0.711581 0.134086 0.446506 O\n0.788419 0.365914 0.446506 O\n0.211581 0.865914 0.053494 O\n0.288419 0.634086 0.053494 O\n0.288419 0.865914 0.553494 O\n0.211581 0.634086 0.553494 O\n0.788419 0.134086 0.946506 O\n0.711581 0.365914 0.946506 O\n0.293364 0.371487 0.719655 O\n0.206636 0.128513 0.719655 O\n0.793364 0.628513 0.780345 O\n0.706636 0.871487 0.780345 O\n0.706636 0.628513 0.280345 O\n0.793364 0.871487 0.280345 O\n0.206636 0.371487 0.219655 O\n0.293364 0.128513 0.219655 O\n0.320045 0.108603 0.455269 O\n0.179955 0.391397 0.455269 O\n0.820045 0.891397 0.044731 O\n0.679955 0.608603 0.044731 O\n0.679955 0.891397 0.544731 O\n0.820045 0.608603 0.544731 O\n0.179955 0.108603 0.955269 O\n0.320045 0.391397 0.955269 O\n0.699658 0.361169 0.729544 O\n0.800342 0.138831 0.729544 O\n0.199658 0.638831 0.770456 O\n0.300342 0.861169 0.770456 O\n0.300342 0.638831 0.270456 O\n0.199658 0.861169 0.270456 O\n0.800342 0.361169 0.229544 O\n0.699658 0.138831 0.229544 O\n",
"nsites": 88,
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"elements": [
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"Se",
"O"
],
"chemical_system": "Ga-O-Se",
"density": 4.657166122968673,
"density_atomic": 0.07536296972361428,
"volume": 1167.6822227511825,
"volume_molar": 7.9908485322242,
"formula_full": "Ga16 Se16 O56",
"formula_reduced": "Ga2Se2O7",
"formula_anonymous": "A2B2C7",
"energy": -530.3179013,
"energy_per_atom": -6.0263397875,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:55.786000Z",
"spacegroup": 56
},
{
"id": "mp-1302453",
"created_at": "2022-09-04T14:40:01.161761Z",
"structure_string": "Li8 Ti4 Cr4 O16\n1.0\n0.177511 5.920015 0.052278\n0.069055 0.065367 8.713760\n5.919796 -0.183140 0.052118\nLi Ti Cr O\n8 4 4 16\ndirect\n0.253607 0.257418 0.749828 Li\n0.758581 0.751990 0.247774 Li\n0.000234 0.992694 0.496302 Li\n0.502276 0.498014 0.991359 Li\n0.255430 0.256051 0.250426 Li\n0.748359 0.745219 0.753759 Li\n0.499538 0.993904 0.494593 Li\n0.996099 0.504743 0.001540 Li\n0.749638 0.246212 0.760726 Ti\n0.259347 0.743512 0.246464 Ti\n0.989320 0.003849 0.000344 Ti\n0.503691 0.506546 0.490596 Ti\n0.997904 0.501310 0.504439 Cr\n0.244907 0.748648 0.752362 Cr\n0.494508 0.996237 0.994018 Cr\n0.756411 0.253693 0.256006 Cr\n0.759306 0.986090 0.226002 O\n0.252083 0.513437 0.731946 O\n0.524144 0.263866 0.990855 O\n0.017938 0.736617 0.497862 O\n0.989988 0.267274 0.516252 O\n0.474715 0.732534 0.005935 O\n0.744083 0.517485 0.275041 O\n0.233855 0.982772 0.760190 O\n0.001650 0.237930 0.000662 O\n0.483358 0.743808 0.507833 O\n0.749418 0.012035 0.748211 O\n0.242260 0.506121 0.266345 O\n0.750994 0.492821 0.737004 O\n0.242749 0.980334 0.238917 O\n0.510998 0.269679 0.507333 O\n0.012614 0.757156 0.999079 O\n",
"nsites": 32,
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"elements": [
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"Cr",
"O"
],
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"density_atomic": 0.10470592414612856,
"volume": 305.6178555412061,
"volume_molar": 5.751480452620278,
"formula_full": "Li8 Ti4 Cr4 O16",
"formula_reduced": "Li2TiCrO4",
"formula_anonymous": "ABC2D4",
"energy": -249.74861909,
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"spacegroup": 5
},
{
"id": "mp-849466",
"created_at": "2022-09-04T14:40:01.324713Z",
"structure_string": "Mn6 O10 F2\n1.0\n5.449095 0.000000 0.000000\n1.671803 5.200120 0.000000\n2.124369 1.550181 6.605166\nMn O F\n6 10 2\ndirect\n0.652577 0.667326 0.842563 Mn\n0.359535 0.315639 0.668074 Mn\n0.651068 0.658463 0.333118 Mn\n0.331682 0.331511 0.161937 Mn\n0.007716 0.022634 0.502086 Mn\n0.998150 0.005484 0.991480 Mn\n0.356963 0.975354 0.331458 O\n0.566955 0.562376 0.629262 O\n0.233169 0.234588 0.957516 O\n0.111867 0.108480 0.700009 O\n0.764694 0.765654 0.039288 O\n0.427930 0.433033 0.373890 O\n0.969470 0.366144 0.328171 O\n0.648632 0.023298 0.665176 O\n0.301225 0.694115 0.003020 O\n0.690419 0.307747 0.001407 O\n0.035391 0.635142 0.666913 F\n0.892556 0.893013 0.304634 F\n",
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"elements": [
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],
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"density": 4.681102005521169,
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"volume": 187.16363959004696,
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"formula_full": "Mn6 O10 F2",
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"updated_at": "2021-11-28T01:35:06.290000Z",
"spacegroup": 1
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{
"id": "mp-542985",
"created_at": "2022-09-04T14:40:01.476854Z",
"structure_string": "Gd1 Co2 Si2\n1.0\n-1.948116 1.948116 4.923866\n1.948116 -1.948116 4.923866\n1.948116 1.948116 -4.923866\nGd Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.370332 0.370332 0.000000 Si\n0.629668 0.629668 0.000000 Si\n",
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{
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},
{
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{
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{
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]
}