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{
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{
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{
"id": "mp-1393463",
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"structure_string": "Mg1 Al2 H8\n1.0\n4.618689 0.000000 0.000000\n2.192490 4.265783 0.000000\n1.613226 0.298044 6.253283\nMg Al H\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.417813 0.369000 0.703995 Al\n0.582187 0.631000 0.296005 Al\n0.358332 0.062581 0.835996 H\n0.079362 0.668506 0.808075 H\n0.746088 0.311670 0.792799 H\n0.534376 0.711541 0.530283 H\n0.465624 0.288459 0.469717 H\n0.253912 0.688330 0.207201 H\n0.905983 0.331903 0.182013 H\n0.626174 0.937143 0.153705 H\n",
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{
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{
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{
"id": "mp-865414",
"created_at": "2022-09-04T14:42:25.557160Z",
"structure_string": "Lu2 Zn1 Pt1\n1.0\n0.000000 3.451749 3.451749\n3.451749 0.000000 3.451749\n3.451749 3.451749 0.000000\nLu Zn Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Pt\n",
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{
"id": "mp-1232084",
"created_at": "2022-09-04T14:42:25.581019Z",
"structure_string": "Tm8 Mg4 Se16\n1.0\n-7.391966 0.000000 0.000000\n-0.001324 -8.562527 0.000000\n1.272413 2.166268 13.572056\nTm Mg Se\n8 4 16\ndirect\n0.863566 0.300287 0.700207 Tm\n0.136434 0.699713 0.299793 Tm\n0.758410 0.125610 0.000431 Tm\n0.241590 0.874390 0.999569 Tm\n0.631500 0.444952 0.298688 Tm\n0.368500 0.555048 0.701312 Tm\n0.631679 0.954693 0.301274 Tm\n0.368321 0.045307 0.698726 Tm\n0.867452 0.800669 0.702521 Mg\n0.132548 0.199331 0.297479 Mg\n0.751164 0.623911 0.997690 Mg\n0.248836 0.376089 0.002310 Mg\n0.902947 0.352690 0.896271 Se\n0.097053 0.647310 0.103729 Se\n0.894573 0.845360 0.891831 Se\n0.105427 0.154640 0.108169 Se\n0.823414 0.219172 0.375234 Se\n0.176586 0.780828 0.624766 Se\n0.811235 0.718982 0.377011 Se\n0.188765 0.281018 0.622989 Se\n0.693038 0.023691 0.625017 Se\n0.306962 0.976309 0.374983 Se\n0.692108 0.539053 0.625859 Se\n0.307892 0.460947 0.374141 Se\n0.602682 0.898504 0.104512 Se\n0.397318 0.101496 0.895488 Se\n0.598124 0.404444 0.102634 Se\n0.401876 0.595556 0.897366 Se\n",
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{
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{
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"structure_string": "Ba2 La4 Ti6 O20\n1.0\n1.960760 -14.366410 0.000000\n1.960760 14.366410 0.000000\n0.000000 0.000000 7.744413\nBa La Ti O\n2 4 6 20\ndirect\n0.734982 0.265018 0.750000 Ba\n0.265018 0.734982 0.250000 Ba\n0.423059 0.576941 0.750000 La\n0.576941 0.423059 0.250000 La\n0.574495 0.425505 0.750000 La\n0.425505 0.574495 0.250000 La\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.853221 0.146779 0.000768 Ti\n0.146779 0.853221 0.999232 Ti\n0.853221 0.146779 0.499232 Ti\n0.146779 0.853221 0.500768 Ti\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.003683 0.996317 0.750000 O\n0.996317 0.003683 0.250000 O\n0.129179 0.870821 0.750000 O\n0.870821 0.129179 0.250000 O\n0.863082 0.136918 0.750000 O\n0.136918 0.863082 0.250000 O\n0.932423 0.067577 0.986724 O\n0.067577 0.932423 0.013276 O\n0.932423 0.067577 0.513276 O\n0.067577 0.932423 0.486724 O\n0.792090 0.207910 0.027788 O\n0.207910 0.792090 0.972212 O\n0.792090 0.207910 0.472212 O\n0.207910 0.792090 0.527788 O\n0.367111 0.632889 0.003666 O\n0.632889 0.367111 0.996334 O\n0.367111 0.632889 0.496334 O\n0.632889 0.367111 0.503666 O\n",
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{
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{
"id": "mp-21576",
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"structure_string": "Sc24 Te12\n1.0\n3.942115 0.000000 0.000000\n0.000000 10.743814 0.000000\n0.000000 0.000000 20.277561\nSc Te\n24 12\ndirect\n0.250000 0.893387 0.490052 Sc\n0.750000 0.106613 0.509948 Sc\n0.750000 0.393387 0.009948 Sc\n0.250000 0.606613 0.990052 Sc\n0.250000 0.069257 0.636917 Sc\n0.750000 0.930743 0.363083 Sc\n0.750000 0.569257 0.863083 Sc\n0.250000 0.430743 0.136917 Sc\n0.250000 0.380444 0.532462 Sc\n0.750000 0.619556 0.467538 Sc\n0.750000 0.880444 0.967538 Sc\n0.250000 0.119556 0.032462 Sc\n0.750000 0.657644 0.106891 Sc\n0.250000 0.342356 0.893109 Sc\n0.250000 0.157644 0.393109 Sc\n0.750000 0.842356 0.606891 Sc\n0.750000 0.965167 0.163224 Sc\n0.250000 0.034833 0.836776 Sc\n0.250000 0.465167 0.336776 Sc\n0.750000 0.534833 0.663224 Sc\n0.250000 0.746555 0.227905 Sc\n0.750000 0.253445 0.772095 Sc\n0.750000 0.246555 0.272095 Sc\n0.250000 0.753445 0.727905 Sc\n0.750000 0.968471 0.735573 Te\n0.250000 0.031529 0.264427 Te\n0.250000 0.468471 0.764427 Te\n0.750000 0.531529 0.235573 Te\n0.750000 0.276964 0.626145 Te\n0.250000 0.723036 0.373855 Te\n0.250000 0.776964 0.873855 Te\n0.750000 0.223036 0.126145 Te\n0.250000 0.645939 0.574294 Te\n0.750000 0.354061 0.425706 Te\n0.750000 0.145939 0.925706 Te\n0.250000 0.854061 0.074294 Te\n",
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"id": "mp-12088",
"created_at": "2022-09-04T14:42:25.549170Z",
"structure_string": "Dy1 Si2 Os2\n1.0\n-2.090348 2.090348 4.830300\n2.090348 -2.090348 4.830300\n2.090348 2.090348 -4.830300\nDy Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.628222 0.628222 0.000000 Si\n0.371778 0.371778 0.000000 Si\n0.750000 0.250000 0.500000 Os\n0.250000 0.750000 0.500000 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Si",
"Os"
],
"chemical_system": "Dy-Os-Si",
"density": 11.78418647383756,
"density_atomic": 0.05922413438134748,
"volume": 84.42504145024262,
"volume_molar": 10.168389665643911,
"formula_full": "Dy1 Si2 Os2",
"formula_reduced": "Dy(SiOs)2",
"formula_anonymous": "AB2C2",
"energy": -41.53232962,
"energy_per_atom": -8.306465924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.53232962,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0079174,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.528000Z",
"spacegroup": 139
}
]
}