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{
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"structure_string": "Mg4 Sn2 O8\n1.0\n-3.061504 3.150042 4.347378\n3.061504 -3.150042 4.347378\n3.061504 3.150042 -4.347378\nMg Sn O\n4 2 8\ndirect\n0.612369 0.862369 0.750000 Mg\n0.387631 0.137631 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.246271 0.261890 0.515618 O\n0.245360 0.263732 0.981628 O\n0.246271 0.730653 0.984382 O\n0.782103 0.263732 0.518372 O\n0.217897 0.736268 0.481628 O\n0.754640 0.736268 0.018372 O\n0.753729 0.269347 0.015618 O\n0.753729 0.738110 0.484382 O\n",
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{
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"structure_string": "Mg1 Sn1 O6\n1.0\n0.000000 4.084388 4.084388\n4.084388 0.000000 4.084388\n4.084388 4.084388 0.000000\nMg Sn O\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n0.252921 0.252921 0.747079 O\n0.747079 0.747079 0.252921 O\n0.252921 0.747079 0.747079 O\n0.747079 0.252921 0.252921 O\n0.747079 0.252921 0.747079 O\n0.252921 0.747079 0.252921 O\n",
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"formula_full": "Mg1 Sn1 O6",
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{
"id": "mp-1933075",
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"structure_string": "Mg2 Sn4 O10\n1.0\n3.419085 0.010727 -0.022307\n0.015967 5.198429 0.004658\n-0.071399 0.006574 12.706756\nMg Sn O\n2 4 10\ndirect\n0.744896 0.895815 0.251041 Mg\n0.253832 0.105104 0.748489 Mg\n0.251637 0.399497 0.107062 Sn\n0.743573 0.601978 0.893116 Sn\n0.755864 0.601817 0.606661 Sn\n0.248132 0.398376 0.393215 Sn\n0.755307 0.411520 0.749811 O\n0.247350 0.589355 0.250141 O\n0.748820 0.590736 0.068982 O\n0.246319 0.411292 0.931227 O\n0.747578 0.589989 0.430707 O\n0.256281 0.410497 0.568829 O\n0.231071 0.039025 0.355085 O\n0.774914 0.961191 0.644461 O\n0.717143 0.960200 0.853263 O\n0.267728 0.040635 0.146168 O\n",
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"formula_full": "Mg2 Sn4 O10",
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},
{
"id": "mp-1047267",
"created_at": "2022-09-04T14:42:40.810165Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n-3.217682 3.325007 4.748821\n3.217682 -3.325007 4.748821\n3.217682 3.325007 -4.748821\nMg Sn O\n2 4 8\ndirect\n0.603722 0.853722 0.750000 Mg\n0.396278 0.146278 0.250000 Mg\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.258097 0.279704 0.521607 O\n0.258097 0.736491 0.978393 O\n0.298188 0.282172 0.016016 O\n0.233844 0.717828 0.516016 O\n0.701812 0.717828 0.983984 O\n0.741903 0.263509 0.021607 O\n0.766156 0.282172 0.483984 O\n0.741903 0.720296 0.478393 O\n",
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"spacegroup": 74
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{
"id": "mp-1047628",
"created_at": "2022-09-04T14:43:20.907097Z",
"structure_string": "Mg4 Sn8 O16\n1.0\n10.757096 0.000000 0.000000\n0.000000 3.176527 0.000000\n0.000000 2.815006 11.757851\nMg Sn O\n4 8 16\ndirect\n0.161195 0.557827 0.690271 Mg\n0.338805 0.557827 0.190271 Mg\n0.661195 0.442173 0.809729 Mg\n0.838805 0.442173 0.309729 Mg\n0.393626 0.179850 0.576227 Sn\n0.106374 0.179850 0.076227 Sn\n0.619403 0.910795 0.111978 Sn\n0.119403 0.089205 0.388022 Sn\n0.606374 0.820150 0.423773 Sn\n0.380597 0.089205 0.888022 Sn\n0.893626 0.820150 0.923773 Sn\n0.880597 0.910795 0.611978 Sn\n0.550989 0.917963 0.839038 O\n0.449011 0.082037 0.160962 O\n0.225671 0.714816 0.037454 O\n0.024449 0.336836 0.903037 O\n0.050989 0.082037 0.660962 O\n0.205768 0.042890 0.231805 O\n0.975551 0.663164 0.096963 O\n0.705768 0.957110 0.268195 O\n0.274329 0.714816 0.537454 O\n0.774329 0.285184 0.962546 O\n0.524449 0.663164 0.596963 O\n0.794232 0.957110 0.768195 O\n0.294232 0.042890 0.731805 O\n0.725671 0.285184 0.462546 O\n0.949011 0.917963 0.339038 O\n0.475551 0.336836 0.403037 O\n",
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"formula_full": "Mg4 Sn8 O16",
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"spacegroup": 14
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{
"id": "mp-1041794",
"created_at": "2022-09-04T14:42:20.652716Z",
"structure_string": "Mg4 Sn8 O16\n1.0\n6.151294 0.000000 0.000000\n0.000000 6.988357 0.000000\n0.000000 0.000000 11.199085\nMg Sn O\n4 8 16\ndirect\n0.500000 0.427689 0.000000 Mg\n0.000000 0.572311 0.500000 Mg\n0.500000 0.742773 0.500000 Mg\n0.000000 0.257227 0.000000 Mg\n0.000000 0.902486 0.297696 Sn\n0.000000 0.902486 0.702304 Sn\n0.500000 0.097514 0.202304 Sn\n0.500000 0.097514 0.797696 Sn\n0.250000 0.500000 0.250000 Sn\n0.750000 0.500000 0.750000 Sn\n0.750000 0.500000 0.250000 Sn\n0.250000 0.500000 0.750000 Sn\n0.000000 0.388584 0.353357 O\n0.000000 0.388584 0.646643 O\n0.500000 0.611416 0.146643 O\n0.500000 0.611416 0.853357 O\n0.000000 0.665433 0.170638 O\n0.000000 0.665433 0.829362 O\n0.500000 0.334567 0.329362 O\n0.500000 0.334567 0.670638 O\n0.253866 0.278330 0.118571 O\n0.746134 0.278330 0.881429 O\n0.753866 0.721670 0.381429 O\n0.246134 0.721670 0.618571 O\n0.246134 0.721670 0.381429 O\n0.753866 0.721670 0.618571 O\n0.746134 0.278330 0.118571 O\n0.253866 0.278330 0.881429 O\n",
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{
"id": "mp-1384513",
"created_at": "2022-09-04T14:40:07.050154Z",
"structure_string": "Mg2 Sn4 O10\n1.0\n5.198456 0.000000 0.000000\n0.000000 3.419174 0.000000\n0.000000 3.264899 12.706022\nMg Sn O\n2 4 10\ndirect\n0.895815 0.000000 0.250000 Mg\n0.104185 0.000000 0.750000 Mg\n0.399497 0.650720 0.106020 Sn\n0.600503 0.349280 0.893980 Sn\n0.600503 0.650720 0.606020 Sn\n0.399497 0.349280 0.393980 Sn\n0.411520 0.500000 0.750000 O\n0.588480 0.500000 0.250000 O\n0.590736 0.185983 0.067941 O\n0.409264 0.814017 0.932059 O\n0.590736 0.814017 0.432059 O\n0.409264 0.185983 0.567941 O\n0.039025 0.382131 0.354044 O\n0.960975 0.617869 0.645956 O\n0.960975 0.382131 0.854044 O\n0.039025 0.617869 0.145956 O\n",
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{
"id": "mp-1343048",
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"structure_string": "Mg4 Sn4 O10\n1.0\n3.960143 0.000000 0.000000\n0.000000 5.554409 0.000000\n0.000000 0.000000 10.541776\nMg Sn O\n4 4 10\ndirect\n0.500000 0.639691 0.893269 Mg\n0.500000 0.360309 0.106731 Mg\n0.500000 0.139691 0.606731 Mg\n0.500000 0.860309 0.393269 Mg\n0.000000 0.658246 0.612493 Sn\n0.000000 0.341754 0.387507 Sn\n0.000000 0.841754 0.112493 Sn\n0.000000 0.158246 0.887507 Sn\n0.000000 0.000000 0.500000 O\n0.000000 0.706216 0.297678 O\n0.000000 0.206216 0.202322 O\n0.000000 0.793784 0.797678 O\n0.500000 0.732082 0.098761 O\n0.500000 0.267918 0.901239 O\n0.000000 0.293784 0.702322 O\n0.500000 0.767918 0.598761 O\n0.000000 0.500000 0.000000 O\n0.500000 0.232082 0.401239 O\n",
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{
"id": "mp-1042253",
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"structure_string": "Mg2 Sn4 O8\n1.0\n1.620805 6.669091 0.000000\n-1.620805 6.669091 0.000000\n0.000000 5.149658 9.447210\nMg Sn O\n2 4 8\ndirect\n0.696923 0.696923 0.761069 Mg\n0.303077 0.303077 0.238931 Mg\n0.361712 0.361712 0.875134 Sn\n0.900429 0.900429 0.416082 Sn\n0.099571 0.099571 0.583918 Sn\n0.638288 0.638288 0.124866 Sn\n0.152760 0.152760 0.234457 O\n0.535613 0.535613 0.768421 O\n0.464387 0.464387 0.231579 O\n0.847240 0.847240 0.765543 O\n0.828740 0.828740 0.028635 O\n0.230748 0.230748 0.637378 O\n0.171260 0.171260 0.971365 O\n0.769252 0.769252 0.362622 O\n",
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{
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"structure_string": "Mg2 Sn4 O8\n1.0\n0.000000 4.659509 4.659509\n4.659509 0.000000 4.659509\n4.659509 4.659509 0.000000\nMg Sn O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.125000 0.125000 0.625000 Sn\n0.625000 0.125000 0.125000 Sn\n0.125000 0.125000 0.125000 Sn\n0.125000 0.625000 0.125000 Sn\n0.887386 0.370871 0.370871 O\n0.370871 0.370871 0.887386 O\n0.370871 0.370871 0.370871 O\n0.362614 0.879129 0.879129 O\n0.879129 0.362614 0.879129 O\n0.879129 0.879129 0.362614 O\n0.370871 0.887386 0.370871 O\n0.879129 0.879129 0.879129 O\n",
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{
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"structure_string": "Mg2 Sn4 O8\n1.0\n1.589053 -5.390912 0.000000\n1.589053 5.390912 0.000000\n0.000000 0.000000 10.869416\nMg Sn O\n2 4 8\ndirect\n0.608032 0.391968 0.750000 Mg\n0.391968 0.608032 0.250000 Mg\n0.131776 0.868224 0.078710 Sn\n0.868224 0.131776 0.921290 Sn\n0.131776 0.868224 0.421290 Sn\n0.868224 0.131776 0.578710 Sn\n0.777623 0.222377 0.380745 O\n0.222377 0.777623 0.619255 O\n0.222377 0.777623 0.880745 O\n0.777623 0.222377 0.119255 O\n0.019724 0.980276 0.250000 O\n0.980276 0.019724 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.33694784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003294,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.929000Z",
"spacegroup": 63
},
{
"id": "mp-1024033",
"created_at": "2022-09-04T14:48:14.984926Z",
"structure_string": "Mg3 Sn1 O4\n1.0\n4.585949 0.000000 -0.000000\n0.000000 4.585949 -0.000000\n0.000000 0.000000 4.585949\nMg Sn O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 4.401094393768207,
"density_atomic": 0.08294731356766806,
"volume": 96.44676428819645,
"volume_molar": 7.260199879875753,
"formula_full": "Mg3 Sn1 O4",
"formula_reduced": "Mg3SnO4",
"formula_anonymous": "AB3C4",
"energy": -47.01108131,
"energy_per_atom": -5.87638516375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.26308131,
"band_gap": 0.0421000000000013,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.468000Z",
"spacegroup": 221
}
]
}