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{
"id": "mp-768526",
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{
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"structure_string": "Ho2 Co1 Ge4\n1.0\n0.000000 0.000000 4.099793\n4.121538 0.000000 0.000000\n2.060768 7.925898 0.000000\nHo Co Ge\n2 1 4\ndirect\n0.250000 0.895668 0.208664 Ho\n0.750000 0.104171 0.791658 Ho\n0.250000 0.691145 0.617709 Co\n0.250000 0.260168 0.479664 Ge\n0.750000 0.757674 0.484651 Ge\n0.250000 0.546756 0.906489 Ge\n0.750000 0.443417 0.113166 Ge\n",
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"formula_full": "Ho2 Co1 Ge4",
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},
{
"id": "mp-1214151",
"created_at": "2022-09-04T14:47:04.496288Z",
"structure_string": "Ca2 P2 O12\n1.0\n7.428714 3.028562 0.000000\n-7.428714 3.028562 0.000000\n0.000000 2.386572 5.588978\nCa P O\n2 2 12\ndirect\n0.313250 0.686750 0.250000 Ca\n0.686750 0.313250 0.750000 Ca\n0.835870 0.164130 0.250000 P\n0.164130 0.835870 0.750000 P\n0.672845 0.879729 0.381960 O\n0.327155 0.120271 0.618040 O\n0.120271 0.327155 0.118040 O\n0.879729 0.672845 0.881960 O\n0.144527 0.070366 0.194691 O\n0.855473 0.929634 0.805309 O\n0.929634 0.855473 0.305309 O\n0.070366 0.144527 0.694691 O\n0.708915 0.152817 0.076042 O\n0.291085 0.847183 0.923958 O\n0.847183 0.291085 0.423958 O\n0.152817 0.708915 0.576042 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.206014137744953,
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"formula_full": "Ca2 P2 O12",
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{
"id": "mp-756825",
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"structure_string": "Li5 Ti2 Fe5 O12\n1.0\n4.578943 2.582175 0.000000\n-4.578943 2.582175 0.000000\n0.000000 1.997064 9.829509\nLi Ti Fe O\n5 2 5 12\ndirect\n0.834261 0.669978 0.753576 Li\n0.672590 0.833006 0.244811 Li\n0.330022 0.165739 0.246424 Li\n0.166994 0.327410 0.755189 Li\n0.079531 0.920469 0.000000 Li\n0.747749 0.252251 0.000000 Ti\n0.253562 0.746438 0.500000 Ti\n0.922508 0.077492 0.500000 Fe\n0.996096 0.504853 0.248112 Fe\n0.495147 0.003904 0.751888 Fe\n0.580760 0.419240 0.500000 Fe\n0.418793 0.581207 0.000000 Fe\n0.030738 0.225329 0.114193 O\n0.774671 0.969262 0.885807 O\n0.883085 0.380741 0.617914 O\n0.619259 0.116915 0.382086 O\n0.692669 0.517275 0.113755 O\n0.482725 0.307331 0.886245 O\n0.509106 0.699512 0.618457 O\n0.300488 0.490894 0.381543 O\n0.395291 0.879017 0.114437 O\n0.120983 0.604709 0.885563 O\n0.199891 0.006922 0.620205 O\n0.993078 0.800109 0.379795 O\n",
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"elements": [
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],
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"density": 4.298185920777158,
"density_atomic": 0.10325200933096201,
"volume": 232.440997085789,
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"formula_full": "Li5 Ti2 Fe5 O12",
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{
"id": "mp-1185208",
"created_at": "2022-09-04T14:47:22.527128Z",
"structure_string": "Li6 Lu2\n1.0\n3.208090 -5.556574 0.000000\n3.208090 5.556574 0.000000\n0.000000 0.000000 5.003580\nLi Lu\n6 2\ndirect\n0.847001 0.152999 0.750000 Li\n0.305999 0.152999 0.750000 Li\n0.847001 0.694001 0.750000 Li\n0.152999 0.847001 0.250000 Li\n0.694001 0.847001 0.250000 Li\n0.152999 0.305999 0.250000 Li\n0.666667 0.333333 0.250000 Lu\n0.333333 0.666667 0.750000 Lu\n",
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"formula_full": "Li6 Lu2",
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{
"id": "mp-1193752",
"created_at": "2022-09-04T14:47:09.355155Z",
"structure_string": "Cu4 Te4 O20\n1.0\n-4.803011 0.000000 0.000000\n0.000000 0.000000 -7.758065\n0.000000 -10.767406 0.000000\nCu Te O\n4 4 20\ndirect\n0.320300 0.640373 0.318584 Cu\n0.179700 0.140373 0.681416 Cu\n0.820300 0.359627 0.181416 Cu\n0.679700 0.859627 0.818584 Cu\n0.576646 0.941276 0.118650 Te\n0.923354 0.441276 0.881350 Te\n0.076646 0.058724 0.381350 Te\n0.423354 0.558724 0.618650 Te\n0.214524 0.296258 0.246812 O\n0.285476 0.796258 0.753188 O\n0.714524 0.703742 0.253188 O\n0.785476 0.203742 0.746812 O\n0.786660 0.110755 0.216041 O\n0.713340 0.610755 0.783959 O\n0.286660 0.889245 0.283959 O\n0.213340 0.389245 0.716041 O\n0.196256 0.640010 0.488922 O\n0.303744 0.140010 0.511078 O\n0.696256 0.359990 0.011078 O\n0.803744 0.859990 0.988922 O\n0.917476 0.591535 0.225813 O\n0.582524 0.091535 0.774187 O\n0.417476 0.408465 0.274187 O\n0.082524 0.908465 0.725813 O\n0.310683 0.064434 0.038665 O\n0.189317 0.564434 0.961335 O\n0.810683 0.935566 0.461335 O\n0.689317 0.435566 0.538665 O\n",
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"density": 4.488791170262103,
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"formula_full": "Cu4 Te4 O20",
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{
"id": "mp-15577",
"created_at": "2022-09-04T14:47:09.361865Z",
"structure_string": "Pr16 Ga8 O36\n1.0\n11.164230 0.000000 0.000000\n0.000000 7.907608 0.000000\n0.000000 3.838129 11.049390\nPr Ga O\n16 8 36\ndirect\n0.622160 0.165270 0.911811 Pr\n0.122160 0.834730 0.588189 Pr\n0.377840 0.834730 0.088189 Pr\n0.877840 0.165270 0.411811 Pr\n0.621933 0.666251 0.928262 Pr\n0.121933 0.333749 0.571738 Pr\n0.378067 0.333749 0.071738 Pr\n0.878067 0.666251 0.428262 Pr\n0.588641 0.976431 0.305769 Pr\n0.088641 0.023569 0.194231 Pr\n0.411359 0.023569 0.694231 Pr\n0.911359 0.976431 0.805769 Pr\n0.603695 0.479128 0.282415 Pr\n0.103695 0.520872 0.217585 Pr\n0.396305 0.520872 0.717585 Pr\n0.896305 0.479128 0.782415 Pr\n0.684790 0.345501 0.615091 Ga\n0.184790 0.654499 0.884909 Ga\n0.315210 0.654499 0.384909 Ga\n0.815210 0.345501 0.115091 Ga\n0.687782 0.782303 0.627199 Ga\n0.187782 0.217697 0.872801 Ga\n0.312218 0.217697 0.372801 Ga\n0.812218 0.782303 0.127199 Ga\n0.510760 0.430787 0.898488 O\n0.010760 0.569213 0.601512 O\n0.489240 0.569213 0.101512 O\n0.989240 0.430787 0.398488 O\n0.495596 0.923444 0.895416 O\n0.995596 0.076556 0.604584 O\n0.504404 0.076556 0.104584 O\n0.004404 0.923444 0.395416 O\n0.531328 0.296065 0.678467 O\n0.031328 0.703935 0.821533 O\n0.468672 0.703935 0.321533 O\n0.968672 0.296065 0.178467 O\n0.726421 0.360126 0.460438 O\n0.226421 0.639874 0.039562 O\n0.529715 0.778572 0.672406 O\n0.273579 0.639874 0.539562 O\n0.749733 0.568168 0.612391 O\n0.249733 0.431832 0.887609 O\n0.250267 0.431832 0.387609 O\n0.750267 0.568168 0.112391 O\n0.731699 0.927509 0.475816 O\n0.231699 0.072491 0.024184 O\n0.268301 0.072491 0.524184 O\n0.768301 0.927509 0.975816 O\n0.776414 0.215621 0.748099 O\n0.276414 0.784379 0.751901 O\n0.223586 0.784379 0.251901 O\n0.723586 0.215621 0.248099 O\n0.775112 0.766032 0.767284 O\n0.275112 0.233968 0.732716 O\n0.224888 0.233968 0.232716 O\n0.724888 0.766032 0.267284 O\n0.970285 0.778572 0.172406 O\n0.470285 0.221428 0.327594 O\n0.029715 0.221428 0.827594 O\n0.773579 0.360126 0.960438 O\n",
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{
"id": "mp-759102",
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"structure_string": "Li12 V8 O16 F8\n1.0\n5.952735 0.000000 0.000000\n2.921525 5.214138 0.000000\n1.366163 2.368386 14.921298\nLi V O F\n12 8 16 8\ndirect\n0.140967 0.795210 0.835720 Li\n0.710677 0.215988 0.836344 Li\n0.329844 0.466471 0.712632 Li\n0.165998 0.500930 0.336260 Li\n0.475513 0.022870 0.956326 Li\n0.673078 0.760833 0.824224 Li\n0.665083 0.010987 0.333468 Li\n0.000781 0.497112 0.954534 Li\n0.330337 0.998760 0.700508 Li\n0.150832 0.013478 0.333397 Li\n0.502811 0.514747 0.973902 Li\n0.855757 0.466834 0.704533 Li\n0.502715 0.254323 0.503047 V\n0.999053 0.753227 0.507496 V\n0.331093 0.252117 0.164909 V\n0.501650 0.751414 0.491346 V\n0.833208 0.747701 0.167984 V\n0.001179 0.251740 0.497855 V\n0.335905 0.749694 0.169939 V\n0.830360 0.249913 0.166689 V\n0.317890 0.616648 0.427670 O\n0.179027 0.592916 0.103505 O\n0.170508 0.384592 0.570155 O\n0.503986 0.372526 0.240596 O\n0.833641 0.103776 0.428531 O\n0.656938 0.892126 0.563622 O\n0.671978 0.124714 0.100712 O\n0.998042 0.883439 0.243696 O\n0.335184 0.131698 0.422542 O\n0.160920 0.119573 0.100781 O\n0.168954 0.878106 0.563964 O\n0.488917 0.910054 0.239613 O\n0.849051 0.624324 0.428440 O\n0.657761 0.381875 0.563495 O\n0.668273 0.607863 0.102186 O\n0.004588 0.367897 0.240045 O\n0.340543 0.374173 0.924014 F\n0.508370 0.120268 0.754253 F\n0.822264 0.863968 0.910810 F\n0.998673 0.631617 0.751100 F\n0.351511 0.845463 0.912027 F\n0.504877 0.630978 0.744744 F\n0.801567 0.397000 0.908788 F\n0.003028 0.120057 0.750266 F\n",
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{
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{
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