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{
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"structure_string": "Li4 V4 Sn2 O12\n1.0\n4.572360 0.000173 -2.564418\n0.001119 10.072924 0.000697\n0.023369 0.000128 5.242347\nLi V Sn O\n4 4 2 12\ndirect\n0.646334 0.750013 0.146143 Li\n0.853839 0.249988 0.353684 Li\n0.146139 0.750018 0.646350 Li\n0.353662 0.249984 0.853850 Li\n0.343126 -0.000001 0.656884 V\n0.156885 0.499998 0.843111 V\n0.843176 0.499997 0.156820 V\n0.656825 -0.000001 0.343183 V\n0.999971 0.000002 0.000025 Sn\n0.500025 0.500001 0.499965 Sn\n0.157998 0.391995 0.510650 O\n0.989352 0.891994 0.342116 O\n0.842051 0.608007 0.489287 O\n0.510708 0.391993 0.157946 O\n0.342065 0.891994 0.989409 O\n0.165706 0.606523 0.165631 O\n0.834361 0.393476 0.834285 O\n0.665744 0.893472 0.665807 O\n0.334206 0.106527 0.334269 O\n0.489345 0.608005 0.842000 O\n0.657889 0.108005 0.010655 O\n0.010598 0.108004 0.657940 O\n",
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{
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"structure_string": "Zr1 H10 C7 O4\n1.0\n3.931967 -0.104727 -0.174215\n-1.356759 4.311723 -0.671318\n0.133733 -0.164112 10.703408\nZr H C O\n1 10 7 4\ndirect\n0.883135 0.185390 0.248762 Zr\n0.197181 0.744071 0.652673 H\n0.527484 0.045580 0.516640 H\n0.276873 0.306928 0.536408 H\n0.746486 0.941669 0.778367 H\n0.793201 0.709523 0.569299 H\n0.374288 0.137063 0.870016 H\n0.477435 0.446934 0.783556 H\n0.876830 0.342502 0.961397 H\n0.084538 0.692011 0.901209 H\n0.826928 0.245698 0.690012 H\n0.082789 0.921945 0.379716 C\n0.252142 0.056584 0.515869 C\n0.388724 0.604048 0.052247 C\n0.045540 0.882717 0.616504 C\n0.952162 0.091952 0.728305 C\n0.260224 0.292242 0.827574 C\n0.130182 0.491882 0.934316 C\n0.348444 0.427611 0.135575 O\n0.331826 0.045408 0.290799 O\n0.981809 0.595960 0.354511 O\n0.648232 0.864355 0.064848 O\n",
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{
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"created_at": "2022-09-04T14:38:41.244906Z",
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"structure_string": "Li4 Mn4 Sn2 O12\n1.0\n5.243717 0.019892 0.000008\n-2.309402 4.707838 -0.000010\n-0.000024 0.000020 10.125854\nLi Mn Sn O\n4 4 2 12\ndirect\n0.102411 0.602410 0.750000 Li\n0.397592 0.897590 0.250000 Li\n0.602410 0.102408 0.750000 Li\n0.897590 0.397590 0.250001 Li\n0.337506 0.662498 -0.000001 Mn\n0.837503 0.162494 0.500000 Mn\n0.162497 0.837505 0.499999 Mn\n0.662495 0.337504 0.000002 Mn\n-0.000002 -0.000002 0.000001 Sn\n0.500003 0.500000 0.500000 Sn\n0.560050 0.196015 0.386328 O\n0.303986 0.939950 0.886328 O\n0.439952 0.803984 0.613672 O\n0.196016 0.560049 0.386327 O\n0.939953 0.303985 0.886327 O\n0.158834 0.158833 0.592397 O\n0.841167 0.841166 0.407603 O\n0.658835 0.658835 0.907603 O\n0.341168 0.341167 0.092398 O\n0.803985 0.439949 0.613673 O\n0.060050 0.696016 0.113673 O\n0.696017 0.060051 0.113672 O\n",
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{
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"created_at": "2022-09-04T14:38:44.313699Z",
"updated_at": "2022-09-04T14:38:44.313732Z",
"structure_string": "Li2 Ni2 P4 O14\n1.0\n6.089879 -0.031422 0.640508\n0.675460 5.547082 2.486225\n0.029803 -0.204406 6.788365\nLi Ni P O\n2 2 4 14\ndirect\n0.973613 0.289039 0.171970 Li\n0.026387 0.710960 0.828030 Li\n0.360419 0.909444 0.223309 Ni\n0.639581 0.090555 0.776692 Ni\n0.404506 0.349841 0.343752 P\n0.595494 0.650158 0.656249 P\n0.868677 0.781963 0.240566 P\n0.131323 0.218036 0.759434 P\n0.581390 0.390994 0.805763 O\n0.784875 0.631875 0.477909 O\n0.311984 0.226191 0.215859 O\n0.418610 0.609005 0.194237 O\n0.040950 0.389452 0.863389 O\n0.037497 0.937885 0.256975 O\n0.959050 0.610547 0.136611 O\n0.383278 0.779590 0.546244 O\n0.688015 0.773809 0.784142 O\n0.215125 0.368124 0.522092 O\n0.665016 0.959059 0.132266 O\n0.334984 0.040941 0.867734 O\n0.616722 0.220409 0.453756 O\n0.962503 0.062114 0.743026 O\n",
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{
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"created_at": "2022-09-04T14:38:43.961717Z",
"updated_at": "2022-09-04T14:38:43.961751Z",
"structure_string": "Li4 In4 Ge2 S12\n1.0\n6.774878 0.024678 2.131197\n3.026327 6.061430 2.131197\n0.020382 0.012656 12.268151\nLi In Ge S\n4 4 2 12\ndirect\n0.585516 0.999690 0.163125 Li\n0.999689 0.585516 0.663125 Li\n0.603890 0.396983 0.501805 Li\n0.396983 0.603891 0.001805 Li\n0.879642 0.076456 0.813052 In\n0.076456 0.879642 0.313052 In\n0.231666 0.082203 0.507060 In\n0.082203 0.231667 0.007060 In\n0.461772 0.990998 0.750663 Ge\n0.990997 0.461773 0.250663 Ge\n0.786095 0.762936 0.330386 S\n0.762935 0.786095 0.830386 S\n0.319747 0.276895 0.302523 S\n0.276895 0.319747 0.802523 S\n0.787840 0.281916 0.306736 S\n0.733999 0.232926 0.995489 S\n0.877640 0.335230 0.620646 S\n0.335230 0.877640 0.120646 S\n0.232925 0.733999 0.495489 S\n0.568595 0.039773 0.558954 S\n0.281916 0.787841 0.806736 S\n0.039772 0.568595 0.058954 S\n",
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"structure_string": "V4 Zn4 O14\n1.0\n5.415817 -0.107889 1.388965\n-0.957174 5.331653 1.388965\n-0.028389 -0.033260 10.194715\nV Zn O\n4 4 14\ndirect\n0.498010 0.001816 0.705103 V\n-0.001816 0.501990 0.794896 V\n0.501990 -0.001817 0.294897 V\n0.001817 0.498010 0.205104 V\n0.612948 0.756856 0.018699 Zn\n0.243143 0.387053 0.481302 Zn\n0.387053 0.243143 0.981302 Zn\n0.756858 0.612947 0.518698 Zn\n0.437551 0.980653 0.138773 O\n0.019347 0.562449 0.361228 O\n0.198370 0.801630 0.750000 O\n0.801631 0.198370 0.250000 O\n0.296627 0.482662 0.106862 O\n0.517338 0.703373 0.393139 O\n0.283570 0.118713 0.390796 O\n0.482663 0.296626 0.606861 O\n0.881288 0.716429 0.109205 O\n0.980654 0.437550 0.638773 O\n0.118713 0.283570 0.890796 O\n0.716431 0.881286 0.609204 O\n0.703374 0.517337 0.893139 O\n0.562450 0.019347 0.861227 O\n",
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"structure_string": "Er10 In8 Pt4\n1.0\n3.613331 -0.000000 0.000000\n0.000000 8.013089 0.000000\n0.000000 -0.000000 18.074882\nEr In Pt\n10 8 4\ndirect\n-0.000000 0.116373 0.415423 Er\n-0.000000 0.883627 0.584577 Er\n-0.000000 0.383627 0.915423 Er\n-0.000000 0.616374 0.084577 Er\n-0.000000 0.245420 0.220686 Er\n-0.000000 0.754580 0.779314 Er\n-0.000000 0.254580 0.720686 Er\n-0.000000 0.745420 0.279314 Er\n0.000000 0.000000 0.000000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 0.790367 0.433958 In\n0.500000 0.209633 0.566042 In\n0.500000 0.709633 0.933958 In\n0.500000 0.290367 0.066042 In\n0.500000 0.425888 0.353047 In\n0.500000 0.074112 0.853047 In\n0.500000 0.574112 0.646953 In\n0.500000 0.925888 0.146953 In\n0.500000 0.472129 0.803496 Pt\n0.500000 0.027871 0.303496 Pt\n0.500000 0.972129 0.696504 Pt\n0.500000 0.527871 0.196504 Pt\n",
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{
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"structure_string": "Li6 Fe4 O12\n1.0\n4.805460 0.012231 -0.882113\n-0.415977 8.101285 2.381901\n0.054188 0.034848 4.924398\nLi Fe O\n6 4 12\ndirect\n0.749962 0.249971 0.749975 Li\n0.249970 0.749963 0.249971 Li\n0.226551 0.424457 0.575606 Li\n0.726564 0.924492 0.075494 Li\n0.273416 0.075511 0.924505 Li\n0.773415 0.575487 0.424579 Li\n0.998580 0.833808 0.666173 Fe\n0.001435 0.166200 0.333805 Fe\n0.498579 0.333817 0.166181 Fe\n0.501439 0.666209 0.833807 Fe\n0.853482 0.723507 0.003032 O\n0.353474 0.223503 0.503043 O\n0.408504 0.538528 0.188074 O\n0.908499 0.038529 0.688058 O\n0.646537 0.776508 0.496946 O\n0.645674 0.145625 0.124863 O\n0.354341 0.854391 0.875118 O\n0.854336 0.354387 0.375134 O\n0.145675 0.645622 0.624871 O\n0.591518 0.461486 0.811926 O\n0.146538 0.276514 -0.003059 O\n0.091512 0.961490 0.311904 O\n",
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"created_at": "2022-09-04T14:38:45.031666Z",
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"structure_string": "Ni4 P4 O14\n1.0\n4.466213 0.006699 0.000000\n-0.669946 5.181965 0.000000\n-0.000000 -0.000000 9.896799\nNi P O\n4 4 14\ndirect\n0.099281 0.420746 0.656788 Ni\n0.099281 0.920747 0.843212 Ni\n0.900717 0.579255 0.343212 Ni\n0.900718 0.079254 0.156788 Ni\n0.355486 0.157246 0.387792 P\n0.644513 0.342754 0.887792 P\n0.355486 0.657247 0.112208 P\n0.644513 0.842755 0.612208 P\n0.785225 0.123329 0.957470 O\n0.785224 0.623330 0.542530 O\n0.614776 0.260061 0.292670 O\n0.614775 0.760061 0.207330 O\n0.385223 0.239940 0.792670 O\n0.385223 0.739940 0.707330 O\n0.112570 0.961937 0.322255 O\n0.112571 0.461936 0.177745 O\n0.887428 0.038064 0.677745 O\n0.214774 0.376671 0.457470 O\n0.500000 0.000000 0.500000 O\n0.499999 0.500001 -0.000000 O\n0.887428 0.538065 0.822255 O\n0.214774 0.876672 0.042530 O\n",
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"created_at": "2022-09-04T14:38:43.838487Z",
"updated_at": "2022-09-04T14:38:43.838524Z",
"structure_string": "Ho6 B14 W2\n1.0\n8.131914 0.007179 0.000000\n-7.397599 3.376923 0.000000\n0.000000 0.000000 9.443795\nHo B W\n6 14 2\ndirect\n0.893038 0.106962 0.439420 Ho\n0.106961 0.893037 0.560579 Ho\n0.893038 0.106962 0.060580 Ho\n0.106961 0.893037 0.939420 Ho\n0.244718 0.755281 0.250000 Ho\n0.755281 0.244719 0.750000 Ho\n0.545158 0.454841 0.750000 B\n0.454840 0.545159 0.250000 B\n0.480558 0.519441 0.591535 B\n0.519441 0.480558 0.408464 B\n0.480558 0.519441 0.908464 B\n0.519441 0.480558 0.091535 B\n0.364793 0.635206 0.646759 B\n0.635206 0.364794 0.146759 B\n0.364793 0.635206 0.853241 B\n0.272512 0.727487 0.966500 B\n0.727487 0.272513 0.033500 B\n0.272512 0.727487 0.533500 B\n0.727487 0.272513 0.466500 B\n0.635206 0.364794 0.353241 B\n0.053657 0.946341 0.250000 W\n0.946342 0.053658 0.750000 W\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ho",
"B",
"W"
],
"chemical_system": "B-Ho-W",
"density": 9.641136096651223,
"density_atomic": 0.08466874265579344,
"volume": 259.8361486178826,
"volume_molar": 7.112590279605312,
"formula_full": "Ho6 B14 W2",
"formula_reduced": "Ho3B7W",
"formula_anonymous": "AB3C7",
"energy_above_hull": 4.724883162121213,
"spacegroup": 63
}
]
}