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{
"id": "mp-1021291",
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"structure_string": "Li2 Mg12 Cr2\n1.0\n5.017400 0.000000 0.000000\n0.000000 6.306076 0.000000\n0.000000 0.000000 10.719464\nLi Mg Cr\n2 12 2\ndirect\n0.500000 0.000000 0.833908 Li\n0.500000 0.500000 0.333908 Li\n0.500000 0.250837 0.583208 Mg\n0.500000 0.749163 0.583208 Mg\n0.000000 0.245646 0.413371 Mg\n0.000000 0.754354 0.413371 Mg\n0.000000 0.000000 0.668301 Mg\n0.000000 0.000000 0.171076 Mg\n0.500000 0.750837 0.083208 Mg\n0.500000 0.249163 0.083208 Mg\n0.000000 0.745646 0.913371 Mg\n0.000000 0.254354 0.913371 Mg\n0.000000 0.500000 0.168301 Mg\n0.000000 0.500000 0.671076 Mg\n0.500000 0.000000 0.333561 Cr\n0.500000 0.500000 0.833561 Cr\n",
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{
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"spacegroup": 14
},
{
"id": "mp-28602",
"created_at": "2022-09-04T14:40:53.901602Z",
"structure_string": "Na3 Cl1 O1\n1.0\n4.538281 0.000000 0.000000\n0.000000 4.538281 0.000000\n0.000000 0.000000 4.538281\nNa Cl O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 O\n",
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"updated_at": "2021-11-28T01:35:02.187000Z",
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},
{
"id": "mp-567528",
"created_at": "2022-09-04T14:40:53.410835Z",
"structure_string": "Li17 Ag3 Sn6\n1.0\n4.036411 -6.991269 0.000000\n4.036411 6.991269 0.000000\n0.000000 0.000000 8.528988\nLi Ag Sn\n17 3 6\ndirect\n0.000000 0.298819 0.330039 Li\n0.298819 0.000000 0.330039 Li\n0.648377 0.000000 0.832291 Li\n0.000000 0.654763 0.154749 Li\n0.345237 0.345237 0.154749 Li\n0.701181 0.701181 0.330039 Li\n0.333333 0.666667 0.667322 Li\n0.000000 0.309997 0.649828 Li\n0.333333 0.666667 0.339287 Li\n0.309997 0.000000 0.649828 Li\n0.000000 0.648377 0.832291 Li\n0.666667 0.333333 0.339287 Li\n0.351623 0.351623 0.832291 Li\n0.654763 0.000000 0.154749 Li\n0.690003 0.690003 0.649828 Li\n0.666667 0.333333 0.667322 Li\n0.000000 0.000000 0.857275 Li\n0.000000 0.000000 0.505181 Ag\n0.333333 0.666667 0.001049 Ag\n0.666667 0.333333 0.001049 Ag\n0.000000 0.645500 0.495851 Sn\n0.645500 0.000000 0.495851 Sn\n0.315345 0.000000 0.990700 Sn\n0.354500 0.354500 0.495851 Sn\n0.000000 0.315345 0.990700 Sn\n0.684655 0.684655 0.990700 Sn\n",
"nsites": 26,
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"density": 3.98037440785932,
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"volume": 481.36985818880316,
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"formula_full": "Li17 Ag3 Sn6",
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"updated_at": "2021-11-28T01:34:58.425000Z",
"spacegroup": 157
},
{
"id": "mp-631548",
"created_at": "2022-09-04T14:40:52.944093Z",
"structure_string": "Tl2 Si1 Ni1\n1.0\n0.000000 3.435424 3.435424\n3.435424 0.000000 3.435424\n3.435424 3.435424 0.000000\nTl Si Ni\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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],
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"density": 10.14755940792,
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"volume": 81.0906966837358,
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"formula_full": "Tl2 Si1 Ni1",
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{
"id": "mp-558164",
"created_at": "2022-09-04T14:40:52.940954Z",
"structure_string": "Ca8 Hf32 O72\n1.0\n7.317538 8.848164 0.000000\n-7.317538 8.848164 0.000000\n0.000000 5.881382 10.504059\nCa Hf O\n8 32 72\ndirect\n0.886549 0.511452 0.149742 Ca\n0.488548 0.113451 0.350258 Ca\n0.511452 0.886549 0.649742 Ca\n0.063061 0.936939 0.250000 Ca\n0.936939 0.063061 0.750000 Ca\n0.563873 0.436127 0.250000 Ca\n0.436127 0.563873 0.750000 Ca\n0.113451 0.488548 0.850258 Ca\n0.374750 0.993491 0.177551 Hf\n0.064090 0.151403 0.935763 Hf\n0.848597 0.935910 0.564237 Hf\n0.185251 0.814749 0.750000 Hf\n0.695878 0.065028 0.050828 Hf\n0.935910 0.848597 0.064237 Hf\n0.416663 0.789032 0.448829 Hf\n0.515689 0.665205 0.950401 Hf\n0.687590 0.312410 0.750000 Hf\n0.882752 0.743462 0.848881 Hf\n0.304122 0.934972 0.949172 Hf\n0.006509 0.625250 0.322449 Hf\n0.749208 0.641330 0.620248 Hf\n0.665205 0.515689 0.450401 Hf\n0.484311 0.334795 0.049599 Hf\n0.743462 0.882752 0.348881 Hf\n0.993491 0.374750 0.677551 Hf\n0.625250 0.006509 0.822449 Hf\n0.641330 0.749208 0.120248 Hf\n0.814749 0.185251 0.250000 Hf\n0.065028 0.695878 0.550828 Hf\n0.334795 0.484311 0.549599 Hf\n0.256538 0.117248 0.651119 Hf\n0.117248 0.256538 0.151119 Hf\n0.358670 0.250792 0.879752 Hf\n0.583337 0.210968 0.551171 Hf\n0.151403 0.064090 0.435763 Hf\n0.210968 0.583337 0.051171 Hf\n0.250792 0.358670 0.379752 Hf\n0.312410 0.687590 0.250000 Hf\n0.789032 0.416663 0.948829 Hf\n0.934972 0.304122 0.449172 Hf\n0.267816 0.682336 0.477674 O\n0.900535 0.552736 0.920219 O\n0.606672 0.937293 0.020123 O\n0.552736 0.900535 0.420219 O\n0.105587 0.954693 0.021407 O\n0.650290 0.491895 0.637033 O\n0.447264 0.099465 0.579781 O\n0.508105 0.349710 0.862967 O\n0.515584 0.393693 0.492196 O\n0.327332 0.420540 0.737091 O\n0.640623 0.220380 0.368675 O\n0.606307 0.484416 0.007804 O\n0.317644 0.274104 0.058661 O\n0.420540 0.327332 0.237091 O\n0.678119 0.040065 0.621965 O\n0.321881 0.959935 0.378035 O\n0.062707 0.393328 0.479877 O\n0.491895 0.650290 0.137033 O\n0.006588 0.851695 0.871921 O\n0.868764 0.735067 0.672105 O\n0.725896 0.682356 0.441339 O\n0.579460 0.672668 0.762909 O\n0.278995 0.876797 0.150883 O\n0.504735 0.116052 0.143044 O\n0.779620 0.359377 0.131325 O\n0.959935 0.321881 0.878035 O\n0.720456 0.073640 0.213939 O\n0.274104 0.317644 0.558661 O\n0.099465 0.447264 0.079781 O\n0.543409 0.193593 0.745792 O\n0.876797 0.278995 0.650883 O\n0.123203 0.721005 0.349117 O\n0.359377 0.779620 0.631325 O\n0.806407 0.456591 0.754208 O\n0.189260 0.075755 0.240811 O\n0.220380 0.640623 0.868675 O\n0.163817 0.274169 0.956434 O\n0.735067 0.868764 0.172105 O\n0.075755 0.189260 0.740811 O\n0.393328 0.062707 0.979877 O\n0.040065 0.678119 0.121965 O\n0.045307 0.894413 0.478593 O\n0.851695 0.006588 0.371921 O\n0.131236 0.264933 0.327895 O\n0.484416 0.606307 0.507804 O\n0.883948 0.495265 0.356956 O\n0.193593 0.543409 0.245792 O\n0.937293 0.606672 0.520123 O\n0.954693 0.105587 0.521407 O\n0.682356 0.725896 0.941339 O\n0.148305 0.993412 0.628079 O\n0.279544 0.926360 0.786061 O\n0.073640 0.720456 0.713939 O\n0.732184 0.317664 0.522326 O\n0.116052 0.504735 0.643044 O\n0.682336 0.267816 0.977674 O\n0.926360 0.279544 0.286061 O\n0.495265 0.883948 0.856956 O\n0.274169 0.163817 0.456434 O\n0.349710 0.508105 0.362967 O\n0.264933 0.131236 0.827895 O\n0.810740 0.924245 0.759189 O\n0.993412 0.148305 0.128079 O\n0.836183 0.725831 0.043566 O\n0.894413 0.045307 0.978593 O\n0.456591 0.806407 0.254208 O\n0.721005 0.123203 0.849117 O\n0.393693 0.515584 0.992196 O\n0.725831 0.836183 0.543566 O\n0.317664 0.732184 0.022326 O\n0.924245 0.810740 0.259189 O\n0.672668 0.579460 0.262909 O\n",
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{
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"structure_string": "Mn8 B32 O56\n1.0\n8.233951 0.000000 0.000000\n0.000000 8.810244 0.000000\n0.000000 0.000000 14.186910\nMn B O\n8 32 56\ndirect\n0.618606 0.107842 0.386743 Mn\n0.118606 0.392157 0.613257 Mn\n0.381393 0.607842 0.113257 Mn\n0.881394 0.892157 0.886743 Mn\n0.381393 0.892157 0.613257 Mn\n0.881394 0.607842 0.386743 Mn\n0.618606 0.392157 0.886743 Mn\n0.118606 0.107842 0.113257 Mn\n0.187051 0.139857 0.461612 B\n0.687052 0.360143 0.538388 B\n0.812948 0.639856 0.038388 B\n0.312948 0.860144 0.961612 B\n0.812948 0.860144 0.538388 B\n0.312948 0.639856 0.461612 B\n0.187051 0.360143 0.961612 B\n0.687052 0.139857 0.038388 B\n0.993719 0.072677 0.335738 B\n0.493719 0.427324 0.664263 B\n0.006281 0.572677 0.164263 B\n0.506281 0.927323 0.835738 B\n0.006281 0.927323 0.664263 B\n0.506281 0.572677 0.335738 B\n0.993719 0.427324 0.835738 B\n0.493719 0.072677 0.164263 B\n0.028604 0.335386 0.265763 B\n0.528605 0.164613 0.734236 B\n0.971395 0.835386 0.234237 B\n0.471396 0.664614 0.765763 B\n0.971395 0.664614 0.734236 B\n0.471396 0.835386 0.265763 B\n0.028604 0.164613 0.765763 B\n0.528605 0.335386 0.234237 B\n0.935643 0.290815 0.433323 B\n0.435642 0.209184 0.566677 B\n0.064357 0.790816 0.066677 B\n0.564357 0.709184 0.933323 B\n0.064357 0.709184 0.566677 B\n0.564357 0.790816 0.433323 B\n0.935643 0.209184 0.933323 B\n0.435642 0.290815 0.066677 B\n0.145516 0.051070 0.387664 O\n0.645515 0.448931 0.612337 O\n0.854485 0.551070 0.112336 O\n0.354485 0.948930 0.887664 O\n0.854485 0.948930 0.612337 O\n0.354485 0.551070 0.387664 O\n0.145516 0.448931 0.887664 O\n0.645515 0.051070 0.112336 O\n0.084688 0.257048 0.491072 O\n0.584689 0.242951 0.508929 O\n0.915311 0.757049 0.008928 O\n0.415311 0.742951 0.991071 O\n0.915311 0.742951 0.508929 O\n0.415311 0.757049 0.491072 O\n0.084688 0.242951 0.991071 O\n0.584689 0.257048 0.008928 O\n0.033001 0.179088 0.251504 O\n0.533002 0.320913 0.748496 O\n0.966998 0.679088 0.248496 O\n0.466999 0.820912 0.751504 O\n0.966998 0.820912 0.748496 O\n0.466999 0.679088 0.251504 O\n0.033001 0.320913 0.751504 O\n0.533002 0.179088 0.248496 O\n0.982539 0.392976 0.352601 O\n0.482539 0.107023 0.647399 O\n0.017461 0.892976 0.147399 O\n0.517461 0.607024 0.852601 O\n0.017461 0.607024 0.647399 O\n0.517461 0.892976 0.352601 O\n0.982539 0.107023 0.852601 O\n0.482539 0.392976 0.147399 O\n0.832372 0.385331 0.492138 O\n0.332372 0.114669 0.507862 O\n0.167627 0.885331 0.007862 O\n0.667627 0.614669 0.992138 O\n0.167627 0.614669 0.507862 O\n0.667627 0.885331 0.492138 O\n0.832372 0.114669 0.992138 O\n0.332372 0.385331 0.007862 O\n0.869832 0.151322 0.394504 O\n0.369833 0.348678 0.605496 O\n0.130167 0.651323 0.105496 O\n0.630167 0.848677 0.894504 O\n0.130167 0.848677 0.605496 O\n0.630167 0.651323 0.394504 O\n0.869832 0.348678 0.894504 O\n0.369833 0.151322 0.105496 O\n0.571689 0.428157 0.306395 O\n0.071689 0.071842 0.693604 O\n0.428310 0.928158 0.193604 O\n0.928310 0.571842 0.806396 O\n0.428310 0.571842 0.693604 O\n0.928310 0.928158 0.306395 O\n0.571689 0.071842 0.806396 O\n0.071689 0.428157 0.193604 O\n",
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{
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