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{
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{
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{
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"structure_string": "Al2 Ge4 P2 H48 C16\n1.0\n9.433131 0.000000 0.000000\n4.363224 8.918011 0.000000\n1.658523 1.738814 9.753872\nAl Ge P H C\n2 4 2 48 16\ndirect\n0.019860 0.634346 0.075403 Al\n0.980140 0.365654 0.924597 Al\n0.722225 0.808580 0.770158 Ge\n0.836200 0.343081 0.323796 Ge\n0.277775 0.191420 0.229842 Ge\n0.163800 0.656919 0.676204 Ge\n0.029979 0.375626 0.155615 P\n0.970021 0.624374 0.844385 P\n0.810077 0.020603 0.648126 H\n0.396491 0.902554 0.301751 H\n0.328249 0.346537 0.374605 H\n0.446740 0.308303 0.061807 H\n0.168747 0.092080 0.890411 H\n0.423311 0.170939 0.990457 H\n0.803167 0.305822 0.584647 H\n0.360769 0.376309 0.691454 H\n0.740806 0.381953 0.817304 H\n0.724797 0.792830 0.161258 H\n0.779524 0.168218 0.208262 H\n0.456650 0.500434 0.625038 H\n0.189923 0.979397 0.351874 H\n0.761065 0.769457 0.518216 H\n0.443153 0.147215 0.424835 H\n0.553260 0.691697 0.938193 H\n0.259194 0.618047 0.182696 H\n0.671751 0.653463 0.625395 H\n0.992251 0.777559 0.469321 H\n0.721984 0.144807 0.387313 H\n0.925497 0.056834 0.328002 H\n0.328739 0.546361 0.026981 H\n0.576689 0.829061 0.009543 H\n0.074503 0.943166 0.671998 H\n0.543350 0.499566 0.374962 H\n0.743286 0.040783 0.822376 H\n0.603509 0.097446 0.698249 H\n0.558070 0.110068 0.119781 H\n0.093611 0.576125 0.478925 H\n0.770695 0.254919 0.975609 H\n0.196833 0.694178 0.415353 H\n0.238935 0.230543 0.481784 H\n0.139890 0.216160 0.730069 H\n0.441930 0.889932 0.880219 H\n0.275203 0.207170 0.838742 H\n0.860110 0.783840 0.269931 H\n0.278016 0.855193 0.612687 H\n0.007749 0.222441 0.530679 H\n0.591079 0.537387 0.195281 H\n0.831253 0.907920 0.109589 H\n0.556847 0.852785 0.575165 H\n0.220476 0.831782 0.791738 H\n0.906389 0.423875 0.521075 H\n0.408921 0.462613 0.804719 H\n0.229305 0.745081 0.024391 H\n0.671261 0.453639 0.973019 H\n0.639231 0.623691 0.308546 H\n0.256714 0.959217 0.177624 H\n0.556787 0.803491 0.915613 C\n0.895496 0.321809 0.509038 C\n0.104504 0.678191 0.490962 C\n0.368723 0.479785 0.703358 C\n0.159715 0.205583 0.837734 C\n0.279428 0.986998 0.269343 C\n0.325791 0.234155 0.395508 C\n0.230214 0.634338 0.076634 C\n0.769786 0.365662 0.923366 C\n0.631277 0.520215 0.296642 C\n0.840285 0.794417 0.162266 C\n0.443213 0.196509 0.084387 C\n0.674209 0.765845 0.604492 C\n0.185861 0.841508 0.689851 C\n0.720572 0.013002 0.730657 C\n0.814139 0.158492 0.310149 C\n",
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{
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"structure_string": "Li1 Dy1 S2\n1.0\n3.916369 0.000000 0.000000\n0.000000 3.916369 0.000000\n0.000000 0.000000 5.326356\nLi Dy S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
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{
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"structure_string": "Na5 Sm4 Si4 O16 F1\n1.0\n-5.952855 5.952855 2.744774\n5.952855 -5.952855 2.744774\n5.952855 5.952855 -2.744774\nNa Sm Si O F\n5 4 4 16 1\ndirect\n0.581313 0.096758 0.694327 Na\n0.402431 0.886986 0.305673 Na\n0.113014 0.418687 0.515445 Na\n0.903242 0.597569 0.484555 Na\n0.000000 0.000000 0.000000 Na\n0.596551 0.663800 0.300447 Sm\n0.363353 0.296104 0.699553 Sm\n0.703896 0.403449 0.067248 Sm\n0.336200 0.636647 0.932752 Sm\n0.762174 0.906875 0.650214 Si\n0.256661 0.111960 0.349786 Si\n0.888040 0.237826 0.144701 Si\n0.093125 0.743339 0.855299 Si\n0.599667 0.877673 0.507304 O\n0.370369 0.092364 0.492696 O\n0.907636 0.400333 0.278006 O\n0.122327 0.629631 0.721994 O\n0.577669 0.719273 0.763359 O\n0.955913 0.814309 0.236641 O\n0.185691 0.422331 0.141604 O\n0.280727 0.044087 0.858396 O\n0.048094 0.220679 0.756943 O\n0.463736 0.291151 0.243057 O\n0.708849 0.951906 0.172585 O\n0.779321 0.536264 0.827415 O\n0.852017 0.821483 0.565120 O\n0.256363 0.286898 0.434880 O\n0.713102 0.147983 0.969465 O\n0.178517 0.743637 0.030535 O\n0.500000 0.500000 0.000000 F\n",
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{
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{
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},
{
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"created_at": "2022-09-04T14:41:11.618034Z",
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O\n0.794413 0.377384 0.258199 O\n0.311241 0.274258 0.124974 O\n0.294413 0.122616 0.758199 O\n0.846366 0.868723 0.382163 O\n0.705402 0.995858 0.738369 O\n0.756108 0.143363 0.034575 O\n0.138190 0.421780 0.137643 O\n0.680811 0.776045 0.631274 O\n0.136766 0.438150 0.643932 O\n0.205402 0.995858 0.761631 O\n0.861810 0.921780 0.137643 O\n0.863234 0.938150 0.643932 O\n0.196895 0.632660 0.233213 O\n0.312125 0.863453 0.607202 O\n0.794598 0.495858 0.761631 O\n0.863234 0.561850 0.356068 O\n0.782146 0.142515 0.526178 O\n0.696895 0.867340 0.733213 O\n0.243892 0.643363 0.034575 O\n0.138190 0.078220 0.862357 O\n0.717854 0.642515 0.973822 O\n0.282146 0.357485 0.026178 O\n0.794413 0.122616 0.741801 O\n0.186093 0.005162 0.101373 O\n0.319189 0.223955 0.368726 O\n0.705587 0.877384 0.241801 O\n0.638190 0.421780 0.362357 O\n0.211969 0.255196 0.250677 O\n0.180811 0.723955 0.131274 O\n0.153634 0.131277 0.617837 O\n0.205402 0.504142 0.238369 O\n0.217854 0.857485 0.473822 O\n0.638190 0.078220 0.637643 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"elements": [
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],
"chemical_system": "Bi-O-Te",
"density": 7.233347609970219,
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"volume": 2883.938730447265,
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"formula_full": "Bi32 Te32 O112",
"formula_reduced": "Bi2Te2O7",
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"formation_energy": null,
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"energy_uncorrected": -986.45048054,
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"updated_at": "2021-11-28T01:35:13.445000Z",
"spacegroup": 60
},
{
"id": "mp-1219253",
"created_at": "2022-09-04T14:41:11.656482Z",
"structure_string": "Sm2 In3 Cu1\n1.0\n2.376238 -4.115766 0.000000\n2.376238 4.115766 0.000000\n0.000000 0.000000 7.590133\nSm In Cu\n2 3 1\ndirect\n0.333333 0.666667 0.724173 Sm\n0.333333 0.666667 0.263542 Sm\n0.000000 0.000000 0.484155 In\n0.000000 0.000000 0.051179 In\n0.666667 0.333333 0.935407 In\n0.666667 0.333333 0.541544 Cu\n",
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"formula_full": "Sm2 In3 Cu1",
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"updated_at": "2021-11-28T01:35:15.356000Z",
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}
]
}