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{
"id": "mp-1074465",
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"structure_string": "Mg8 Si6\n1.0\n6.108275 0.000000 0.000000\n-1.302636 6.543166 0.000000\n-1.373599 -2.394693 7.037045\nMg Si\n8 6\ndirect\n0.236905 0.671626 0.757327 Mg\n0.770545 0.734837 0.824431 Mg\n0.405512 0.680548 0.384566 Mg\n0.626898 0.043024 0.151220 Mg\n0.430764 0.376712 0.945171 Mg\n0.923224 0.352445 0.966081 Mg\n0.500705 0.287236 0.530700 Mg\n0.000637 0.019847 0.600862 Mg\n0.789584 0.692253 0.192261 Si\n0.844381 0.581844 0.471935 Si\n0.153775 0.798349 0.113286 Si\n0.551039 0.020116 0.736135 Si\n0.044759 0.307719 0.415728 Si\n0.221361 0.183493 0.160459 Si\n",
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{
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"density": 6.893608264904278,
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"formula_full": "U2 Cr30 P19",
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},
{
"id": "mp-758599",
"created_at": "2022-09-04T14:40:26.859793Z",
"structure_string": "Sr5 Re12 O36\n1.0\n8.043670 0.000000 0.000000\n-2.716819 7.643220 0.000000\n-0.011769 -0.013395 13.145248\nSr Re O\n5 12 36\ndirect\n0.183621 0.187752 0.184533 Sr\n0.001335 0.636866 0.000164 Sr\n0.498757 0.860780 0.499779 Sr\n0.854430 0.498162 0.500283 Sr\n0.187128 0.187596 0.815528 Sr\n0.179869 0.816446 0.316359 Re\n0.329922 0.688703 0.181359 Re\n0.567274 0.425238 0.068809 Re\n0.067621 0.934516 0.569152 Re\n0.390588 0.886050 0.755030 Re\n0.114059 0.616356 0.746556 Re\n0.616948 0.112811 0.251877 Re\n0.887632 0.388699 0.250525 Re\n0.434651 0.569053 0.931156 Re\n0.937039 0.066293 0.431533 Re\n0.817242 0.181806 0.681622 Re\n0.684076 0.321184 0.816888 Re\n0.166477 0.834755 0.164031 O\n0.034299 0.968132 0.323171 O\n0.325365 0.671541 0.032611 O\n0.525616 0.888870 0.181929 O\n0.114268 0.477162 0.176710 O\n0.666689 0.657674 0.999472 O\n0.328653 0.328388 0.998673 O\n0.460135 0.525936 0.170445 O\n0.170668 0.818861 0.467618 O\n0.337311 0.675972 0.333718 O\n0.710795 0.004718 0.355081 O\n0.996620 0.287677 0.352163 O\n0.788261 0.491392 0.146198 O\n0.503693 0.212212 0.148526 O\n0.972247 0.613107 0.322254 O\n0.829451 0.829772 0.499768 O\n0.164363 0.161877 0.499992 O\n0.612259 0.974902 0.678642 O\n0.838946 0.168702 0.170953 O\n0.384307 0.026348 0.319902 O\n0.673107 0.332219 0.336138 O\n0.333258 0.674173 0.665488 O\n0.028478 0.386175 0.678834 O\n0.163636 0.832898 0.835882 O\n0.207651 0.504542 0.856215 O\n0.489667 0.782860 0.853422 O\n0.003424 0.709254 0.644592 O\n0.285578 0.991717 0.649840 O\n0.675691 0.339168 0.665228 O\n0.524668 0.459223 0.827390 O\n0.817912 0.170224 0.530586 O\n0.888891 0.528573 0.821623 O\n0.472695 0.116413 0.820536 O\n0.677200 0.334645 0.966004 O\n0.968257 0.034877 0.674493 O\n0.840118 0.173159 0.830722 O\n",
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"density_atomic": 0.06558076529464588,
"volume": 808.1637925674986,
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"formula_full": "Sr5 Re12 O36",
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{
"id": "mp-680115",
"created_at": "2022-09-04T14:40:26.723551Z",
"structure_string": "Cd14 I28\n1.0\n2.171151 -3.760544 0.000000\n2.171151 3.760544 0.000000\n0.000000 0.000000 103.171522\nCd I\n14 28\ndirect\n0.000000 0.000000 0.803569 Cd\n0.000000 0.000000 0.517848 Cd\n0.666667 0.333333 0.303580 Cd\n0.666667 0.333333 0.160712 Cd\n0.666667 0.333333 0.589282 Cd\n0.666667 0.333333 0.374991 Cd\n0.000000 0.000000 0.232146 Cd\n0.000000 0.000000 0.946431 Cd\n0.000000 0.000000 0.660713 Cd\n0.000000 0.000000 0.732149 Cd\n0.666667 0.333333 0.017857 Cd\n0.666667 0.333333 0.446440 Cd\n0.000000 0.000000 0.089284 Cd\n0.000000 0.000000 0.874999 Cd\n0.666667 0.333333 0.072533 I\n0.333333 0.666667 0.534601 I\n0.333333 0.666667 0.177467 I\n0.333333 0.666667 0.106048 I\n0.333333 0.666667 0.463180 I\n0.666667 0.333333 0.786822 I\n0.333333 0.666667 0.820331 I\n0.000000 0.000000 0.286811 I\n0.666667 0.333333 0.643946 I\n0.333333 0.666667 0.320338 I\n0.333333 0.666667 0.606048 I\n0.000000 0.000000 0.143951 I\n0.333333 0.666667 0.963174 I\n0.000000 0.000000 0.358233 I\n0.000000 0.000000 0.001120 I\n0.666667 0.333333 0.858255 I\n0.666667 0.333333 0.929672 I\n0.333333 0.666667 0.677464 I\n0.666667 0.333333 0.715396 I\n0.666667 0.333333 0.215394 I\n0.333333 0.666667 0.034613 I\n0.333333 0.666667 0.891743 I\n0.333333 0.666667 0.248907 I\n0.333333 0.666667 0.391736 I\n0.666667 0.333333 0.501088 I\n0.000000 0.000000 0.572540 I\n0.000000 0.000000 0.429677 I\n0.333333 0.666667 0.748909 I\n",
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"volume": 1684.7308808139414,
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"formula_full": "Cd14 I28",
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},
{
"id": "mp-1234921",
"created_at": "2022-09-04T14:40:26.731698Z",
"structure_string": "Mg1 Fe10 O16 F4\n1.0\n-4.914509 -0.115774 0.002098\n0.228668 9.663918 -8.839709\n-0.113587 -4.866834 -2.980587\nMg Fe O F\n1 10 16 4\ndirect\n0.010568 0.603730 0.701178 Mg\n0.492088 0.999468 0.479310 Fe\n0.482051 0.401403 0.320885 Fe\n0.483021 0.197339 0.893815 Fe\n0.515990 0.606641 0.674748 Fe\n0.525344 0.804742 0.068233 Fe\n0.014928 0.373349 0.840258 Fe\n0.964226 0.822638 0.564844 Fe\n0.022115 0.192081 0.415158 Fe\n0.937979 0.595247 0.195671 Fe\n0.038185 0.994904 0.011501 Fe\n0.800754 0.247718 0.709438 O\n0.821735 0.867720 0.902023 O\n0.799906 0.675190 0.505607 O\n0.820194 0.060211 0.307622 O\n0.789593 0.455024 0.113980 O\n0.705068 0.482529 0.606932 O\n0.724903 0.658636 0.976129 O\n0.683212 0.867341 0.394286 O\n0.304042 0.332708 0.010293 O\n0.302275 0.722769 0.785778 O\n0.315607 0.131922 0.579734 O\n0.311379 0.934742 0.175904 O\n0.276019 0.541026 0.423555 O\n0.191608 0.136591 0.089749 O\n0.202671 0.944401 0.684998 O\n0.194780 0.331351 0.507164 O\n0.684935 0.059561 0.809342 F\n0.689024 0.259881 0.218027 F\n0.200365 0.531632 0.905966 F\n0.195439 0.735213 0.270730 F\n",
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{
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"structure_string": "La2 Mn2 O6\n1.0\n3.947522 -0.000023 -0.000002\n-0.000025 3.937908 3.936926\n0.000021 -3.937905 3.936923\nLa Mn O\n2 2 6\ndirect\n0.000002 0.999998 0.999996 La\n0.000002 0.500004 0.500003 La\n0.500000 0.000001 0.499997 Mn\n0.500001 0.499999 0.000002 Mn\n0.000000 0.499998 0.000000 O\n0.000002 0.999996 0.500003 O\n0.500001 0.241058 0.741062 O\n0.499998 0.758942 0.258942 O\n0.499999 0.241062 0.258938 O\n0.499994 0.758943 0.741057 O\n",
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{
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"structure_string": "V2 Cu3 H6 O11\n1.0\n5.447451 2.954451 -0.551182\n-5.447451 2.954451 0.551182\n-0.133939 0.000000 7.195502\nV Cu H O\n2 3 6 11\ndirect\n0.505398 0.494602 0.749597 V\n0.494602 0.505398 0.250403 V\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.150430 0.849570 0.739487 H\n0.849570 0.150430 0.260513 H\n0.016973 0.724297 0.439285 H\n0.275703 0.983027 0.439285 H\n0.983027 0.275703 0.560715 H\n0.724297 0.016973 0.560715 H\n0.500000 0.500000 0.500000 O\n0.153247 0.846753 0.882461 O\n0.846753 0.153247 0.117539 O\n0.193544 0.334499 0.810607 O\n0.665501 0.806456 0.810607 O\n0.806456 0.665501 0.189393 O\n0.334499 0.193544 0.189393 O\n0.337524 0.662476 0.145801 O\n0.662476 0.337524 0.854199 O\n0.169955 0.830045 0.521415 O\n0.830045 0.169955 0.478585 O\n",
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{
"id": "mp-763790",
"created_at": "2022-09-04T14:40:26.702433Z",
"structure_string": "Mn4 P12 O36\n1.0\n0.699302 7.264372 -0.175236\n-7.451360 -0.992407 6.088144\n6.997290 -1.077875 7.367366\nMn P O\n4 12 36\ndirect\n0.158914 0.865241 0.047470 Mn\n0.840941 0.634724 0.452523 Mn\n0.159299 0.365490 0.547446 Mn\n0.840713 0.134642 0.952602 Mn\n0.569387 0.330473 0.476905 P\n0.569072 0.830358 0.976967 P\n0.430904 0.669643 0.522999 P\n0.430611 0.169514 0.023078 P\n0.808585 0.892194 0.225805 P\n0.808839 0.392260 0.725820 P\n0.191156 0.107717 0.774202 P\n0.191363 0.607792 0.274166 P\n0.814156 0.118717 0.444346 P\n0.813921 0.618660 0.944369 P\n0.186088 0.881357 0.555632 P\n0.185900 0.381284 0.055639 P\n0.319696 0.050677 0.092612 O\n0.320002 0.550784 0.592495 O\n0.680030 0.949231 0.907495 O\n0.680321 0.449319 0.407420 O\n0.358951 0.309189 0.452453 O\n0.358661 0.809143 0.952442 O\n0.641285 0.690879 0.547561 O\n0.641040 0.190790 0.047607 O\n0.962451 0.938731 0.133696 O\n0.962781 0.438809 0.633807 O\n0.037244 0.061187 0.866267 O\n0.037477 0.561286 0.366255 O\n0.977460 0.240018 0.428124 O\n0.977187 0.740043 0.928132 O\n0.022841 0.759974 0.571851 O\n0.022578 0.259993 0.071908 O\n0.614754 0.852167 0.133468 O\n0.615090 0.352271 0.633401 O\n0.384978 0.147676 0.866602 O\n0.385220 0.647840 0.366516 O\n0.623093 0.185821 0.430953 O\n0.622833 0.685738 0.930995 O\n0.377148 0.814252 0.568996 O\n0.376928 0.314153 0.069027 O\n0.188895 0.968155 0.442765 O\n0.188758 0.468088 0.942761 O\n0.811261 0.031878 0.557207 O\n0.811121 0.531877 0.057232 O\n0.776156 0.031998 0.301520 O\n0.776205 0.532012 0.801522 O\n0.223780 0.967949 0.698479 O\n0.223897 0.468021 0.198460 O\n0.182326 0.225993 0.690410 O\n0.182428 0.726047 0.190402 O\n0.817584 0.773959 0.309563 O\n0.817690 0.273987 0.809629 O\n",
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