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{
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{
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{
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"structure_string": "Li4 V6 Sn2 O16\n1.0\n-3.019495 5.230935 0.000309\n-3.121083 -1.801669 9.932336\n3.030602 5.237364 -0.056725\nLi V Sn O\n4 6 2 16\ndirect\n0.321105 0.568773 0.365759 Li\n0.812608 0.068776 0.366120 Li\n0.748528 0.745263 0.497658 Li\n0.254269 0.245323 0.497727 Li\n0.219280 0.748268 0.016829 V\n0.755562 0.744629 0.004072 V\n0.495948 0.007873 0.007642 V\n0.740272 0.244781 0.004355 V\n0.264183 0.248138 0.016351 V\n0.996253 0.507861 0.007793 V\n0.178220 0.938952 0.646212 Sn\n0.675690 0.438727 0.645863 Sn\n0.123858 0.630205 0.773996 O\n0.602317 0.130119 0.773826 O\n0.377917 0.870727 0.233471 O\n0.888676 0.370633 0.233232 O\n0.908150 0.860259 0.214491 O\n0.377467 0.360271 0.214189 O\n0.136399 0.628596 0.209744 O\n0.624414 0.127608 0.216097 O\n0.659450 0.627530 0.215861 O\n0.153833 0.128654 0.209440 O\n0.844885 0.869895 0.773714 O\n0.344328 0.368020 0.771956 O\n0.384139 0.868128 0.771428 O\n0.881881 0.369933 0.773226 O\n0.610030 0.640926 0.769307 O\n0.120344 0.141128 0.769641 O\n",
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{
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"structure_string": "Rb8 Ru4 N4 Cl20 O12\n1.0\n6.730139 0.000000 0.000000\n0.000000 11.708590 0.000000\n0.000000 3.273794 15.917366\nRb Ru N Cl O\n8 4 4 20 12\ndirect\n0.468156 0.545259 0.160516 Rb\n0.968156 0.454741 0.339484 Rb\n0.531844 0.454741 0.839484 Rb\n0.031844 0.545259 0.660516 Rb\n0.372026 0.173512 0.423766 Rb\n0.872026 0.826488 0.076234 Rb\n0.627974 0.826488 0.576234 Rb\n0.127974 0.173512 0.923766 Rb\n0.171548 0.775996 0.409672 Ru\n0.671548 0.224004 0.090328 Ru\n0.828452 0.224004 0.590328 Ru\n0.328452 0.775996 0.909672 Ru\n0.507483 0.090574 0.139968 N\n0.007483 0.909426 0.360032 N\n0.492517 0.909426 0.860032 N\n0.992517 0.090574 0.639968 N\n0.358682 0.837178 0.043121 Cl\n0.858682 0.162822 0.456879 Cl\n0.641318 0.162822 0.956879 Cl\n0.141318 0.837178 0.543121 Cl\n0.175411 0.736215 0.272058 Cl\n0.675411 0.263785 0.227942 Cl\n0.824589 0.263785 0.727942 Cl\n0.324589 0.736215 0.772058 Cl\n0.365603 0.326140 0.058827 Cl\n0.865603 0.673860 0.441173 Cl\n0.634397 0.673860 0.941173 Cl\n0.134397 0.326140 0.558827 Cl\n0.947367 0.092680 0.124991 Cl\n0.447367 0.907320 0.375009 Cl\n0.052633 0.907320 0.875009 Cl\n0.552633 0.092680 0.624991 Cl\n0.968977 0.554641 0.136350 Cl\n0.468977 0.445359 0.363650 Cl\n0.031023 0.445359 0.863650 Cl\n0.531023 0.554641 0.636350 Cl\n0.315595 0.656518 0.450927 O\n0.815595 0.343482 0.049073 O\n0.684405 0.343482 0.549073 O\n0.184405 0.656518 0.950927 O\n0.410237 0.013165 0.172690 O\n0.910237 0.986835 0.327310 O\n0.589763 0.986835 0.827310 O\n0.089763 0.013165 0.672690 O\n0.161787 0.259934 0.263792 O\n0.661787 0.740066 0.236208 O\n0.838213 0.740066 0.736208 O\n0.338213 0.259934 0.763792 O\n",
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{
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"structure_string": "Tm15 S22\n1.0\n1.925441 19.276195 0.000000\n-1.925441 19.276195 0.000000\n0.000000 0.180423 11.196361\nTm S\n15 22\ndirect\n0.234454 0.234454 0.352977 Tm\n0.431021 0.431021 0.357167 Tm\n0.568979 0.568979 0.642833 Tm\n0.765546 0.765546 0.647023 Tm\n0.395072 0.395072 0.010554 Tm\n0.604928 0.604928 0.989446 Tm\n0.039503 0.039503 0.272453 Tm\n0.866709 0.866709 0.657503 Tm\n0.133291 0.133291 0.342497 Tm\n0.701219 0.701219 0.056786 Tm\n0.157091 0.157090 0.694445 Tm\n0.960497 0.960497 0.727547 Tm\n0.500000 0.500000 0.000000 Tm\n0.842909 0.842909 0.305555 Tm\n0.298781 0.298781 0.943214 Tm\n0.409936 0.409936 0.751834 S\n0.052713 0.052713 0.497905 S\n0.947287 0.947287 0.502095 S\n0.951106 0.951106 0.968491 S\n0.220153 0.220153 0.591977 S\n0.779847 0.779847 0.408023 S\n0.686207 0.686207 0.307498 S\n0.666690 0.666690 0.850587 S\n0.333310 0.333310 0.149413 S\n0.313793 0.313793 0.692502 S\n0.492755 0.492755 0.238495 S\n0.755105 0.755105 0.879634 S\n0.507245 0.507245 0.761505 S\n0.048894 0.048894 0.031509 S\n0.633835 0.633835 0.538516 S\n0.852956 0.852956 0.907391 S\n0.092954 0.092954 0.793711 S\n0.244895 0.244895 0.120366 S\n0.907046 0.907046 0.206289 S\n0.147044 0.147044 0.092609 S\n0.590064 0.590064 0.248166 S\n0.366165 0.366165 0.461484 S\n",
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{
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},
{
"id": "mp-11477",
"created_at": "2022-09-04T14:45:40.381057Z",
"structure_string": "Ho1 Sn3\n1.0\n4.710927 0.000000 0.000000\n0.000000 4.710927 0.000000\n0.000000 0.000000 4.710927\nHo Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
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"elements": [
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"Sn"
],
"chemical_system": "Ho-Sn",
"density": 8.275952241323028,
"density_atomic": 0.0382596389895957,
"volume": 104.54881712521535,
"volume_molar": 15.740192325488632,
"formula_full": "Ho1 Sn3",
"formula_reduced": "HoSn3",
"formula_anonymous": "AB3",
"energy": -18.24160087,
"energy_per_atom": -4.5604002175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:00.517000Z",
"spacegroup": 221
},
{
"id": "mp-1218742",
"created_at": "2022-09-04T14:45:40.465067Z",
"structure_string": "Sr2 Pr2 Pt1 O6\n1.0\n6.247705 -3.021252 0.000000\n6.247705 3.021252 0.000000\n4.786694 0.000000 5.024873\nSr Pr Pt O\n2 2 1 6\ndirect\n0.164619 0.164619 0.164619 Sr\n0.835381 0.835381 0.835381 Sr\n0.641480 0.641480 0.641480 Pr\n0.358520 0.358520 0.358520 Pr\n0.000000 0.000000 0.000000 Pt\n0.763938 0.421316 0.034600 O\n0.421316 0.034600 0.763938 O\n0.034600 0.763938 0.421316 O\n0.236062 0.578684 0.965400 O\n0.578684 0.965400 0.236062 O\n0.965400 0.236062 0.578684 O\n",
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"elements": [
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],
"chemical_system": "O-Pr-Pt-Sr",
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"density_atomic": 0.0579869322948269,
"volume": 189.69791235156143,
"volume_molar": 10.385341182356779,
"formula_full": "Sr2 Pr2 Pt1 O6",
"formula_reduced": "Sr2Pr2PtO6",
"formula_anonymous": "AB2C2D6",
"energy": -78.6999305,
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"updated_at": "2021-11-28T01:36:59.293000Z",
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}
]
}