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{
"id": "mp-1042656",
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"structure_string": "W6 O16\n1.0\n5.853167 0.000000 0.000000\n0.000000 5.072256 0.000000\n0.000000 4.963489 9.639870\nW O\n6 16\ndirect\n0.655271 0.500000 0.750000 W\n0.344729 0.500000 0.250000 W\n0.830572 0.759569 0.006011 W\n0.830572 0.240431 0.493989 W\n0.169428 0.240431 0.993989 W\n0.169428 0.759569 0.506011 W\n0.655621 0.954295 0.631599 O\n0.655621 0.045705 0.868401 O\n0.344379 0.045705 0.368401 O\n0.344379 0.954295 0.131599 O\n0.109670 0.476986 0.105053 O\n0.109670 0.523014 0.394947 O\n0.890330 0.523014 0.894947 O\n0.890330 0.476986 0.605053 O\n0.397451 0.516297 0.618037 O\n0.397451 0.483703 0.881963 O\n0.602549 0.483703 0.381963 O\n0.602549 0.516297 0.118037 O\n0.106301 0.957931 0.608753 O\n0.893699 0.042069 0.391247 O\n0.106301 0.042069 0.891247 O\n0.893699 0.957931 0.108753 O\n",
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{
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"formula_full": "V4 Ni2 H16 O20",
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},
{
"id": "mp-774437",
"created_at": "2022-09-04T14:42:52.975840Z",
"structure_string": "Li20 La12 Nb8 O48\n1.0\n-6.436633 6.461008 6.481619\n6.409767 -6.451532 6.444840\n6.422181 6.436916 -6.472065\nLi La Nb O\n20 12 8 48\ndirect\n0.809625 0.060144 0.110013 Li\n0.428934 0.245653 0.041109 Li\n0.800133 0.246924 0.692678 Li\n0.703888 0.395640 0.451549 Li\n0.888995 0.180402 0.925326 Li\n0.607954 0.530403 0.284967 Li\n0.248949 0.045713 0.439894 Li\n0.537792 0.290752 0.616718 Li\n0.966789 0.581088 0.755559 Li\n0.690027 0.799520 0.249334 Li\n0.476878 0.715265 0.388634 Li\n0.017095 0.411798 0.237571 Li\n0.393003 0.443947 0.696921 Li\n0.109539 0.826238 0.090994 Li\n0.061180 0.110358 0.809489 Li\n0.212716 0.743318 0.321896 Li\n0.288108 0.611651 0.534296 Li\n0.569926 0.750853 0.958565 Li\n0.252940 0.685378 0.786825 Li\n0.172715 0.912876 0.890622 Li\n0.749709 0.124219 0.374800 La\n0.378382 0.126845 0.251176 La\n0.879892 0.634497 0.250879 La\n0.250003 0.380176 0.130004 La\n0.623665 0.250178 0.884727 La\n0.125955 0.246977 0.376033 La\n0.868047 0.760394 0.615920 La\n0.369472 0.748825 0.118593 La\n0.755953 0.630014 0.882587 La\n0.125802 0.372840 0.748240 La\n0.623147 0.874075 0.746241 La\n0.249440 0.893938 0.636294 La\n0.505604 0.003145 0.004350 Nb\n0.999346 0.999733 0.004725 Nb\n0.505972 0.000127 0.502936 Nb\n0.493111 0.493579 0.992396 Nb\n0.502125 0.500173 0.504458 Nb\n0.998705 0.005670 0.496874 Nb\n0.997755 0.496661 0.995508 Nb\n0.993632 0.500708 0.494100 Nb\n0.901632 0.025195 0.324846 O\n0.884619 0.404217 0.075937 O\n0.925532 0.305731 0.327345 O\n0.978349 0.672272 0.092775 O\n0.580279 0.169398 0.203771 O\n0.924011 0.124603 0.596315 O\n0.608283 0.419287 0.093913 O\n0.196295 0.112964 0.019195 O\n0.687279 0.674890 0.075552 O\n0.598836 0.179156 0.486344 O\n0.899178 0.389084 0.577283 O\n0.123644 0.028348 0.202308 O\n0.675416 0.088585 0.707308 O\n0.824408 0.535297 0.412938 O\n0.475878 0.382528 0.300257 O\n0.421857 0.095746 0.614196 O\n0.017285 0.198737 0.116403 O\n0.480161 0.595913 0.178443 O\n0.826348 0.796439 0.403212 O\n0.674232 0.083529 0.972347 O\n0.387387 0.300171 0.480562 O\n0.802620 0.416726 0.822865 O\n0.699474 0.525447 0.616176 O\n0.593496 0.913786 0.114432 O\n0.299409 0.471989 0.386332 O\n0.201827 0.584707 0.172195 O\n0.414935 0.088436 0.892799 O\n0.324429 0.904589 0.022013 O\n0.173814 0.199743 0.575380 O\n0.611557 0.694566 0.521781 O\n0.575413 0.902846 0.375551 O\n0.530684 0.412001 0.824528 O\n0.983563 0.803316 0.892747 O\n0.523441 0.614137 0.701019 O\n0.889464 0.986099 0.811047 O\n0.320588 0.917996 0.303798 O\n0.176516 0.489835 0.599097 O\n0.297183 0.327376 0.921834 O\n0.092139 0.614348 0.412614 O\n0.406709 0.819542 0.516172 O\n0.796232 0.884307 0.970154 O\n0.383010 0.581738 0.900134 O\n0.022912 0.320436 0.905746 O\n0.093948 0.889278 0.421596 O\n0.414282 0.826678 0.797923 O\n0.082234 0.703637 0.680874 O\n0.114237 0.586390 0.910032 O\n0.077773 0.970161 0.672309 O\n",
"nsites": 88,
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"elements": [
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"O"
],
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"density_atomic": 0.08226657066951848,
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"formula_full": "Li20 La12 Nb8 O48",
"formula_reduced": "Li5La3Nb2O12",
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"energy": -687.84251659,
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{
"id": "mp-11152",
"created_at": "2022-09-04T14:42:52.981892Z",
"structure_string": "Si8 Sb8 Pt8\n1.0\n6.401879 0.000000 0.000000\n0.000000 6.418124 0.000000\n0.000000 0.000000 11.613038\nSi Sb Pt\n8 8 8\ndirect\n0.853993 0.265710 0.425994 Si\n0.353993 0.234290 0.574005 Si\n0.146007 0.765710 0.074006 Si\n0.646007 0.734290 0.925995 Si\n0.146007 0.734290 0.574005 Si\n0.646007 0.765710 0.425994 Si\n0.853993 0.234290 0.925995 Si\n0.353993 0.265710 0.074006 Si\n0.116730 0.006254 0.327296 Sb\n0.616730 0.493746 0.672704 Sb\n0.883270 0.506254 0.172704 Sb\n0.383270 0.993746 0.827296 Sb\n0.883270 0.993746 0.672704 Sb\n0.383270 0.506254 0.327296 Sb\n0.116730 0.493746 0.827296 Sb\n0.616730 0.006254 0.172704 Sb\n0.511690 0.118482 0.393502 Pt\n0.011690 0.381518 0.606498 Pt\n0.488310 0.618482 0.106498 Pt\n0.988310 0.881518 0.893502 Pt\n0.488310 0.881518 0.606498 Pt\n0.988310 0.618482 0.393502 Pt\n0.511690 0.381518 0.893502 Pt\n0.011690 0.118482 0.106498 Pt\n",
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},
{
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"created_at": "2022-09-04T14:42:53.123246Z",
"structure_string": "Y6 Fe16 O1\n1.0\n-4.730579 4.730579 4.730579\n4.730579 -4.730579 4.730579\n4.730579 4.730579 -4.730579\nY Fe O\n6 16 1\ndirect\n0.262558 0.262558 0.000000 Y\n0.000000 0.262558 0.262558 Y\n0.000000 0.737442 0.737442 Y\n0.737442 0.000000 0.737442 Y\n0.262558 0.000000 0.262558 Y\n0.737442 0.737442 0.000000 Y\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.662335 0.662335 0.324670 Fe\n0.000000 0.337665 0.662335 Fe\n0.324670 0.662335 0.662335 Fe\n0.662335 0.324670 0.662335 Fe\n0.337665 0.000000 0.662335 Fe\n0.662335 0.337665 0.000000 Fe\n0.337665 0.662335 0.000000 Fe\n0.337665 0.675330 0.337665 Fe\n0.000000 0.662335 0.337665 Fe\n0.662335 0.000000 0.337665 Fe\n0.675330 0.337665 0.337665 Fe\n0.337665 0.337665 0.675330 Fe\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-1198334",
"created_at": "2022-09-04T14:42:52.826587Z",
"structure_string": "Tl4 Fe2 H24 S4 O28\n1.0\n12.781372 0.000000 0.000000\n0.000000 6.376944 0.000000\n0.000000 2.451805 8.995393\nTl Fe H S O\n4 2 24 4 28\ndirect\n0.139006 0.654253 0.620788 Tl\n0.639006 0.345747 0.879212 Tl\n0.860994 0.345747 0.379212 Tl\n0.360994 0.654253 0.120788 Tl\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.402801 0.676272 0.718688 H\n0.902801 0.323728 0.781312 H\n0.597199 0.323728 0.281312 H\n0.097199 0.676272 0.218688 H\n0.372166 0.906748 0.745903 H\n0.872166 0.093252 0.754097 H\n0.627834 0.093252 0.254097 H\n0.127834 0.906748 0.245903 H\n0.397967 0.069691 0.225769 H\n0.897967 0.930309 0.274231 H\n0.602033 0.930309 0.774231 H\n0.102033 0.069691 0.725769 H\n0.311451 0.008107 0.350741 H\n0.811451 0.991893 0.149259 H\n0.688549 0.991893 0.649259 H\n0.188549 0.008107 0.850741 H\n0.564220 0.660071 0.401338 H\n0.064220 0.339929 0.098662 H\n0.435780 0.339929 0.598662 H\n0.935780 0.660071 0.901338 H\n0.644670 0.673994 0.526390 H\n0.144670 0.326006 0.973610 H\n0.355330 0.326006 0.473610 H\n0.855330 0.673994 0.026390 H\n0.360512 0.264492 0.903710 S\n0.860512 0.735508 0.596290 S\n0.639488 0.735508 0.096290 S\n0.139488 0.264492 0.403710 S\n0.267954 0.401232 0.915860 O\n0.767954 0.598768 0.584140 O\n0.732046 0.598768 0.084140 O\n0.232046 0.401232 0.415860 O\n0.424412 0.220673 0.042372 O\n0.924412 0.779327 0.457628 O\n0.575588 0.779327 0.957628 O\n0.075588 0.220673 0.542372 O\n0.427415 0.387831 0.776460 O\n0.927415 0.612169 0.723540 O\n0.572585 0.612169 0.223540 O\n0.072585 0.387831 0.276460 O\n0.324725 0.054471 0.875409 O\n0.824725 0.945529 0.624591 O\n0.675275 0.945529 0.124591 O\n0.175275 0.054471 0.375409 O\n0.388175 0.831182 0.668404 O\n0.888175 0.168818 0.831596 O\n0.611825 0.168818 0.331596 O\n0.111825 0.831182 0.168404 O\n0.384705 0.976308 0.327646 O\n0.884705 0.023692 0.172354 O\n0.615295 0.023692 0.672354 O\n0.115295 0.976308 0.827646 O\n0.569905 0.699763 0.496769 O\n0.069905 0.300237 0.003231 O\n0.430095 0.300237 0.503231 O\n0.930095 0.699763 0.996769 O\n",
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},
{
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