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{
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{
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{
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{
"id": "mp-2125",
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"structure_string": "Te8 O16\n1.0\n5.599178 0.000000 0.000000\n0.000000 5.747725 0.000000\n0.000000 0.000000 12.284664\nTe O\n8 16\ndirect\n0.529702 0.121241 0.383588 Te\n0.029702 0.378759 0.616412 Te\n0.470298 0.621241 0.116412 Te\n0.970298 0.878759 0.883588 Te\n0.470298 0.878759 0.616412 Te\n0.970298 0.621241 0.383588 Te\n0.529702 0.378759 0.883588 Te\n0.029702 0.121241 0.116412 Te\n0.722605 0.412668 0.332069 O\n0.222605 0.087332 0.667931 O\n0.277395 0.912668 0.167931 O\n0.777395 0.587332 0.832069 O\n0.277395 0.587332 0.667931 O\n0.777395 0.912668 0.332069 O\n0.722605 0.087332 0.832069 O\n0.222605 0.412668 0.167931 O\n0.355679 0.661703 0.969602 O\n0.855679 0.838297 0.030398 O\n0.644321 0.161703 0.530398 O\n0.144321 0.338297 0.469602 O\n0.644321 0.338297 0.030398 O\n0.144321 0.161703 0.969602 O\n0.355679 0.838297 0.469602 O\n0.855679 0.661703 0.530398 O\n",
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{
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"created_at": "2022-09-04T14:41:47.385365Z",
"structure_string": "Hg2 B8 O14\n1.0\n4.241802 0.000000 0.000000\n0.000000 4.448256 0.000000\n0.000000 0.000000 10.831686\nHg B O\n2 8 14\ndirect\n0.392695 0.176845 0.500000 Hg\n0.892695 0.823155 0.000000 Hg\n0.408523 0.326311 0.879383 B\n0.931120 0.172987 0.248777 B\n0.431120 0.827013 0.251223 B\n0.908523 0.673689 0.620617 B\n0.908523 0.673689 0.379383 B\n0.408523 0.326311 0.120617 B\n0.931120 0.172987 0.751223 B\n0.431120 0.827013 0.748777 B\n0.072195 0.266971 0.134838 O\n0.572195 0.733029 0.365162 O\n0.480148 0.644395 0.858296 O\n0.980148 0.355605 0.641704 O\n0.980148 0.355605 0.358296 O\n0.480148 0.644395 0.141704 O\n0.575976 0.132933 0.779103 O\n0.075976 0.867067 0.720897 O\n0.075976 0.867067 0.279103 O\n0.575976 0.132933 0.220897 O\n0.516552 0.233003 0.000000 O\n0.016552 0.766997 0.500000 O\n0.072195 0.266971 0.865162 O\n0.572195 0.733029 0.634838 O\n",
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{
"id": "mp-1226088",
"created_at": "2022-09-04T14:41:47.400250Z",
"structure_string": "Dy10 Al4 Ge11\n1.0\n2.102454 5.218162 0.000000\n-2.102454 5.218162 0.000000\n0.000000 3.989333 24.487468\nDy Al Ge\n10 4 11\ndirect\n0.330312 0.330311 0.942976 Dy\n0.727047 0.727047 0.742540 Dy\n0.127020 0.127020 0.542222 Dy\n0.926735 0.926735 0.142748 Dy\n0.527295 0.527295 0.342084 Dy\n0.073265 0.073265 0.857252 Dy\n0.472705 0.472705 0.657916 Dy\n0.872980 0.872980 0.457778 Dy\n0.669688 0.669688 0.057024 Dy\n0.272953 0.272953 0.257460 Dy\n0.599179 0.599179 0.200333 Al\n0.199890 0.199890 0.399789 Al\n0.800110 0.800110 0.600211 Al\n0.400821 0.400821 0.799667 Al\n0.618505 0.618505 0.940824 Ge\n0.013361 0.013361 0.743235 Ge\n0.412964 0.412964 0.543098 Ge\n0.210857 0.210857 0.143878 Ge\n0.813040 0.813040 0.343205 Ge\n0.789143 0.789143 0.856122 Ge\n0.186960 0.186960 0.656795 Ge\n0.587036 0.587036 0.456902 Ge\n0.381495 0.381495 0.059176 Ge\n0.986639 0.986639 0.256765 Ge\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "mp-1194705",
"created_at": "2022-09-04T14:41:47.459766Z",
"structure_string": "Sr16 P56 Cl8\n1.0\n6.182404 7.393246 0.000000\n-6.182404 7.393246 0.000000\n0.000000 5.379211 21.934047\nSr P Cl\n16 56 8\ndirect\n0.858126 0.141874 0.750000 Sr\n0.141874 0.858126 0.250000 Sr\n0.280610 0.719390 0.750000 Sr\n0.719390 0.280610 0.250000 Sr\n0.736060 0.720371 0.612115 Sr\n0.279629 0.263940 0.887885 Sr\n0.263940 0.279629 0.387885 Sr\n0.720371 0.736060 0.112115 Sr\n0.333886 0.355183 0.606194 Sr\n0.644817 0.666114 0.893806 Sr\n0.666114 0.644817 0.393806 Sr\n0.355183 0.333886 0.106194 Sr\n0.112856 0.712370 0.946596 Sr\n0.287630 0.887144 0.553404 Sr\n0.887144 0.287630 0.053404 Sr\n0.712370 0.112856 0.446596 Sr\n0.861873 0.804369 0.747799 P\n0.195631 0.138127 0.752201 P\n0.138127 0.195631 0.252201 P\n0.804369 0.861873 0.247799 P\n0.021067 0.753169 0.668690 P\n0.246831 0.978933 0.831310 P\n0.978933 0.246831 0.331310 P\n0.753169 0.021067 0.168690 P\n0.972391 0.715093 0.826586 P\n0.284907 0.027609 0.673414 P\n0.027609 0.284907 0.173414 P\n0.715093 0.972391 0.326586 P\n0.719044 0.644426 0.755304 P\n0.355574 0.280956 0.744696 P\n0.280956 0.355574 0.244696 P\n0.644426 0.719044 0.255304 P\n0.076167 0.528685 0.699432 P\n0.471315 0.923833 0.800568 P\n0.923833 0.471315 0.300568 P\n0.528685 0.076167 0.199432 P\n0.045782 0.502059 0.806839 P\n0.497941 0.954218 0.693161 P\n0.954218 0.497941 0.193161 P\n0.502059 0.045782 0.306839 P\n0.879831 0.457611 0.758570 P\n0.542389 0.120169 0.741430 P\n0.120169 0.542389 0.241430 P\n0.457611 0.879831 0.258570 P\n0.680335 0.286700 0.582294 P\n0.713300 0.319665 0.917706 P\n0.319665 0.713300 0.417706 P\n0.286700 0.680335 0.082294 P\n0.234060 0.618109 0.510089 P\n0.381891 0.765940 0.989911 P\n0.765940 0.381891 0.489911 P\n0.618109 0.234060 0.010089 P\n0.064373 0.784421 0.087186 P\n0.215579 0.935627 0.412814 P\n0.935627 0.215579 0.912814 P\n0.784421 0.064373 0.587186 P\n0.799407 0.375714 0.637070 P\n0.624286 0.200593 0.862930 P\n0.200593 0.624286 0.362930 P\n0.375714 0.799407 0.137070 P\n0.010131 0.683709 0.507099 P\n0.316291 0.989869 0.992901 P\n0.989869 0.316291 0.492901 P\n0.683709 0.010131 0.007099 P\n0.011988 0.310862 0.591431 P\n0.689138 0.988012 0.908569 P\n0.988012 0.689138 0.408569 P\n0.310862 0.011988 0.091431 P\n0.000113 0.106604 0.557488 P\n0.893396 0.999887 0.942512 P\n0.999887 0.893396 0.442512 P\n0.106604 0.000113 0.057488 P\n0.825444 0.603788 0.997001 Cl\n0.396212 0.174556 0.502999 Cl\n0.174556 0.396212 0.002999 Cl\n0.603788 0.825444 0.497001 Cl\n0.368194 0.559554 0.865399 Cl\n0.440446 0.631806 0.634601 Cl\n0.631806 0.440446 0.134601 Cl\n0.559554 0.368194 0.365399 Cl\n",
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{
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"structure_string": "Li2 Cu2 Si4 O10\n1.0\n4.936290 0.000000 0.000000\n0.000000 5.736635 0.000000\n0.000000 2.328665 7.624015\nLi Cu Si O\n2 2 4 10\ndirect\n0.682505 0.057494 0.176195 Li\n0.182505 0.942506 0.823805 Li\n0.714332 0.985702 0.627649 Cu\n0.214332 0.014298 0.372351 Cu\n0.182205 0.352534 0.984930 Si\n0.668766 0.450424 0.404467 Si\n0.168766 0.549576 0.595533 Si\n0.682205 0.647466 0.015070 Si\n0.282842 0.105072 0.125115 O\n0.739843 0.182598 0.385727 O\n0.225451 0.327566 0.784477 O\n0.853553 0.401666 0.006430 O\n0.344159 0.468934 0.447080 O\n0.844159 0.531066 0.552920 O\n0.353553 0.598334 0.993570 O\n0.725451 0.672434 0.215523 O\n0.239843 0.817402 0.614273 O\n0.782842 0.894928 0.874885 O\n",
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{
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},
{
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"created_at": "2022-09-04T14:41:47.428944Z",
"structure_string": "Ba1 La1 Ta1 Zn1 O6\n1.0\n0.000000 4.082262 4.082262\n4.082262 0.000000 4.082262\n4.082262 4.082262 0.000000\nBa La Ta Zn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Zn\n0.743793 0.256207 0.256207 O\n0.256207 0.256207 0.743793 O\n0.256207 0.743793 0.256207 O\n0.743793 0.256207 0.743793 O\n0.743793 0.743793 0.256207 O\n0.256207 0.743793 0.743793 O\n",
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"nelements": 5,
"elements": [
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"La",
"Ta",
"Zn",
"O"
],
"chemical_system": "Ba-La-O-Ta-Zn",
"density": 7.549468719086029,
"density_atomic": 0.0734966224250467,
"volume": 136.0606742193928,
"volume_molar": 8.193765320496867,
"formula_full": "Ba1 La1 Ta1 Zn1 O6",
"formula_reduced": "BaLaTaZnO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:35:27.646000Z",
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},
{
"id": "mp-1039008",
"created_at": "2022-09-04T14:41:47.429308Z",
"structure_string": "Ce4 Mg2\n1.0\n1.626559 5.342627 0.000000\n-1.626559 5.342627 0.000000\n0.000000 3.674053 8.929609\nCe Mg\n4 2\ndirect\n0.313401 0.313401 0.110564 Ce\n0.019165 0.019165 0.221643 Ce\n0.980835 0.980835 0.778357 Ce\n0.686599 0.686599 0.889436 Ce\n0.658274 0.658274 0.441645 Mg\n0.341726 0.341726 0.558355 Mg\n",
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"elements": [
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],
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"volume": 155.19835516794512,
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"formula_full": "Ce4 Mg2",
"formula_reduced": "Ce2Mg",
"formula_anonymous": "AB2",
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}
]
}