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{
"id": "mp-760260",
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"structure_string": "Li5 V5 Cr5 P10 O40 F10\n1.0\n5.163295 0.000000 0.000000\n-2.028532 7.040932 0.000000\n-0.598157 -3.353860 24.312885\nLi V Cr P O F\n5 5 5 10 40 10\ndirect\n0.988444 0.730626 0.087161 Li\n0.788343 0.531303 0.286664 Li\n0.588369 0.331332 0.486652 Li\n0.389710 0.132636 0.686478 Li\n0.008864 0.267271 0.911773 Li\n0.000027 0.999703 0.999653 V\n0.800396 0.805877 0.200854 V\n0.600778 0.606070 0.400827 V\n0.400582 0.405886 0.600788 V\n0.200519 0.199740 0.799553 V\n0.996861 0.997779 0.500144 Cr\n0.795278 0.796902 0.700129 Cr\n0.605841 0.603834 0.899055 Cr\n0.394975 0.396740 0.100057 Cr\n0.196860 0.197866 0.300156 Cr\n0.816342 0.134271 0.622720 P\n0.987792 0.666762 0.576623 P\n0.788693 0.464103 0.775859 P\n0.584410 0.268539 0.977561 P\n0.388103 0.066835 0.176586 P\n0.612257 0.936565 0.823844 P\n0.416249 0.731774 0.022109 P\n0.216057 0.534444 0.222796 P\n0.016448 0.334635 0.422768 P\n0.188409 0.867073 0.376581 P\n0.982240 0.243131 0.363095 O\n0.906468 0.059133 0.843891 O\n0.884055 0.199012 0.464035 O\n0.965219 0.317667 0.772208 O\n0.781965 0.042897 0.562993 O\n0.845371 0.484521 0.429421 O\n0.749698 0.114309 0.972229 O\n0.906835 0.603254 0.735967 O\n0.893880 0.742441 0.357361 O\n0.811382 0.553839 0.835788 O\n0.620083 0.368351 0.036601 O\n0.645743 0.284481 0.629309 O\n0.717777 0.400101 0.935656 O\n0.507060 0.201758 0.135599 O\n0.693480 0.542075 0.557268 O\n0.717917 0.834894 0.040931 O\n0.412806 0.164513 0.235735 O\n0.435481 0.082724 0.827830 O\n0.307433 0.002045 0.335669 O\n0.494279 0.341121 0.756071 O\n0.517843 0.635539 0.241649 O\n0.683734 0.998700 0.663917 O\n0.559374 0.916197 0.173604 O\n0.590707 0.846806 0.764056 O\n0.282590 0.165146 0.959119 O\n0.318153 0.435750 0.441676 O\n0.493806 0.797240 0.863937 O\n0.282871 0.599829 0.064220 O\n0.359504 0.716307 0.373622 O\n0.381704 0.632505 0.963230 O\n0.181069 0.442564 0.163108 O\n0.118172 0.235199 0.641533 O\n0.083932 0.399095 0.264102 O\n0.250058 0.885338 0.027936 O\n0.159409 0.516310 0.573652 O\n0.213168 0.964669 0.435794 O\n0.045325 0.684552 0.229440 O\n0.107174 0.802076 0.535778 O\n0.093652 0.942044 0.157294 O\n0.011425 0.763863 0.635809 O\n0.922212 0.804005 0.936399 F\n0.720324 0.603517 0.135066 F\n0.879761 0.998729 0.264293 F\n0.521908 0.403603 0.334928 F\n0.679766 0.798720 0.464295 F\n0.321902 0.203471 0.534927 F\n0.478320 0.598495 0.664373 F\n0.122026 0.001126 0.734285 F\n0.280571 0.398918 0.865362 F\n0.079627 0.196098 0.063459 F\n",
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"formula_full": "Li5 V5 Cr5 P10 O40 F10",
"formula_reduced": "LiVCrP2(O4F)2",
"formula_anonymous": "ABCD2E2F8",
"energy": -578.92127999,
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"spacegroup": 1
},
{
"id": "mp-1215052",
"created_at": "2022-09-04T14:47:32.393893Z",
"structure_string": "Ba8 Eu4 V12 O44\n1.0\n0.000000 -7.825696 0.000000\n-12.179773 0.000000 2.878747\n-0.030013 0.000000 -11.453926\nBa Eu V O\n8 4 12 44\ndirect\n0.273533 0.765990 0.941498 Ba\n0.726467 0.234010 0.058502 Ba\n0.773533 0.234010 0.558502 Ba\n0.226467 0.765990 0.441498 Ba\n0.747378 0.554316 0.889328 Ba\n0.252622 0.445684 0.110672 Ba\n0.247378 0.445684 0.610672 Ba\n0.752622 0.554316 0.389328 Ba\n0.498903 0.997685 0.718436 Eu\n0.501097 0.002315 0.281564 Eu\n0.998903 0.002315 0.781564 Eu\n0.001097 0.997685 0.218436 Eu\n0.753781 0.903991 0.975304 V\n0.246219 0.096009 0.024696 V\n0.253781 0.096009 0.524696 V\n0.746219 0.903991 0.475304 V\n0.520002 0.683104 0.673329 V\n0.479998 0.316896 0.326671 V\n0.020002 0.316896 0.826671 V\n0.979998 0.683104 0.173329 V\n0.980588 0.686508 0.670385 V\n0.019412 0.313492 0.329615 V\n0.480588 0.313492 0.829615 V\n0.519412 0.686508 0.170385 V\n0.442424 0.815368 0.719441 O\n0.557576 0.184632 0.280559 O\n0.942424 0.184632 0.780559 O\n0.057576 0.815368 0.219441 O\n0.552344 0.180108 0.809569 O\n0.447656 0.819892 0.190431 O\n0.052344 0.819892 0.690431 O\n0.947656 0.180108 0.309569 O\n0.750343 0.667518 0.667605 O\n0.249657 0.332482 0.332395 O\n0.250343 0.332482 0.832395 O\n0.749657 0.667518 0.167605 O\n0.944908 0.375650 0.965926 O\n0.055092 0.624350 0.034074 O\n0.444908 0.624350 0.534074 O\n0.555092 0.375650 0.465926 O\n0.941676 0.393062 0.732194 O\n0.058324 0.606938 0.267806 O\n0.441676 0.606938 0.767806 O\n0.558324 0.393062 0.232194 O\n0.783559 0.986453 0.620899 O\n0.216441 0.013547 0.379101 O\n0.283559 0.013547 0.879101 O\n0.716441 0.986453 0.120899 O\n0.970349 0.879070 0.972341 O\n0.029651 0.120930 0.027659 O\n0.470349 0.120930 0.527659 O\n0.529651 0.879070 0.472341 O\n0.637716 0.785710 0.946413 O\n0.362284 0.214290 0.053587 O\n0.137716 0.214290 0.553587 O\n0.862284 0.785710 0.446413 O\n0.720901 0.982970 0.865920 O\n0.279099 0.017030 0.134080 O\n0.220901 0.017030 0.634080 O\n0.779099 0.982970 0.365920 O\n0.558904 0.370553 0.719389 O\n0.441096 0.629447 0.280611 O\n0.058904 0.629447 0.780611 O\n0.941096 0.370553 0.219389 O\n0.562669 0.388264 0.961395 O\n0.437331 0.611736 0.038605 O\n0.062669 0.611736 0.538605 O\n0.937331 0.388264 0.461395 O\n",
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"elements": [
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"formula_full": "Ba8 Eu4 V12 O44",
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"updated_at": "2021-11-28T01:38:10.595000Z",
"spacegroup": 14
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{
"id": "mp-16164",
"created_at": "2022-09-04T14:45:19.515639Z",
"structure_string": "Dy12 Si12 O40 F4\n1.0\n11.268856 0.000000 0.000000\n0.000000 7.390992 0.000000\n0.000000 6.068312 10.391409\nDy Si O F\n12 12 40 4\ndirect\n0.469138 0.743675 0.018513 Dy\n0.969138 0.256325 0.481487 Dy\n0.530862 0.256325 0.981487 Dy\n0.030862 0.743675 0.518513 Dy\n0.229756 0.595288 0.311083 Dy\n0.729756 0.404712 0.188917 Dy\n0.770244 0.404712 0.688917 Dy\n0.270244 0.595288 0.811083 Dy\n0.098216 0.805301 0.996594 Dy\n0.598216 0.194699 0.503406 Dy\n0.901784 0.194699 0.003406 Dy\n0.401784 0.805301 0.496594 Dy\n0.462442 0.285873 0.708675 Si\n0.755132 0.876469 0.889425 Si\n0.744868 0.876469 0.389425 Si\n0.244868 0.123531 0.110575 Si\n0.414042 0.284528 0.240501 Si\n0.914042 0.715472 0.259499 Si\n0.585958 0.715472 0.759499 Si\n0.085958 0.284528 0.740501 Si\n0.037558 0.285873 0.208675 Si\n0.537558 0.714127 0.291325 Si\n0.255132 0.123531 0.610575 Si\n0.962442 0.714127 0.791325 Si\n0.089164 0.657779 0.869555 O\n0.589164 0.342221 0.630445 O\n0.910836 0.342221 0.130445 O\n0.410836 0.657779 0.369555 O\n0.477492 0.104199 0.861735 O\n0.977492 0.895801 0.638265 O\n0.522508 0.895801 0.138265 O\n0.022508 0.104199 0.361735 O\n0.104167 0.495040 0.191907 O\n0.604167 0.504960 0.308093 O\n0.895833 0.504960 0.808093 O\n0.395833 0.495040 0.691907 O\n0.390882 0.198876 0.622348 O\n0.890882 0.801124 0.877652 O\n0.609118 0.801124 0.377652 O\n0.109118 0.198876 0.122348 O\n0.356608 0.512588 0.197374 O\n0.273838 0.897050 0.620680 O\n0.726162 0.102950 0.379320 O\n0.226162 0.897050 0.120680 O\n0.180954 0.286920 0.482474 O\n0.680954 0.713080 0.017526 O\n0.819046 0.713080 0.517526 O\n0.319046 0.286920 0.982474 O\n0.177521 0.114790 0.730896 O\n0.677521 0.885210 0.769104 O\n0.822479 0.885210 0.269104 O\n0.322479 0.114790 0.230896 O\n0.024417 0.649136 0.363146 O\n0.524417 0.350864 0.136854 O\n0.975583 0.350864 0.636854 O\n0.475583 0.649136 0.863146 O\n0.049559 0.148757 0.891644 O\n0.549559 0.851243 0.608356 O\n0.950441 0.851243 0.108356 O\n0.450441 0.148757 0.391644 O\n0.143392 0.512588 0.697374 O\n0.643392 0.487412 0.802626 O\n0.856608 0.487412 0.302626 O\n0.773838 0.102950 0.879320 O\n0.714828 0.244708 0.059332 F\n0.214828 0.755292 0.440668 F\n0.785172 0.244708 0.559332 F\n0.285172 0.755292 0.940668 F\n",
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{
"id": "mp-566670",
"created_at": "2022-09-04T14:42:16.385336Z",
"structure_string": "K6 Fe10 P12 O48\n1.0\n15.722282 3.272366 0.000000\n-15.722282 3.272366 0.000000\n0.000000 0.043126 10.852689\nK Fe P O\n6 10 12 48\ndirect\n0.939768 0.060231 0.750000 K\n0.785634 0.509066 0.987719 K\n0.060231 0.939769 0.250000 K\n0.509066 0.785634 0.487719 K\n0.490934 0.214366 0.512281 K\n0.214366 0.490934 0.012281 K\n0.703272 0.802985 0.077600 Fe\n0.802985 0.703272 0.577600 Fe\n0.806686 0.193314 0.250000 Fe\n0.197015 0.296728 0.422400 Fe\n0.810443 0.189557 0.750000 Fe\n0.000000 0.500000 0.500000 Fe\n0.296728 0.197015 0.922400 Fe\n0.189557 0.810443 0.250000 Fe\n0.500000 0.000000 0.000000 Fe\n0.193314 0.806686 0.750000 Fe\n0.294791 0.996789 0.997536 P\n0.216889 0.277529 0.122878 P\n0.783111 0.722471 0.877122 P\n0.003211 0.705209 0.502464 P\n0.722471 0.783111 0.377122 P\n0.718116 0.281884 0.250000 P\n0.277529 0.216889 0.622878 P\n0.705209 0.003211 0.002464 P\n0.996789 0.294791 0.497536 P\n0.281884 0.718116 0.750000 P\n0.721514 0.278486 0.750000 P\n0.278486 0.721514 0.250000 P\n0.839031 0.133115 0.882643 O\n0.768388 0.737437 0.432083 O\n0.836013 0.620359 0.511251 O\n0.163987 0.379641 0.488749 O\n0.119977 0.007973 0.571977 O\n0.501051 0.610307 0.409846 O\n0.713793 0.211071 0.141549 O\n0.788929 0.286207 0.358451 O\n0.794311 0.749114 0.735620 O\n0.211071 0.713793 0.641549 O\n0.205689 0.250886 0.264380 O\n0.379641 0.163987 0.988749 O\n0.519936 0.895214 0.997961 O\n0.262563 0.231612 0.067917 O\n0.749114 0.794311 0.235620 O\n0.156715 0.850144 0.885514 O\n0.880023 0.992027 0.428023 O\n0.498949 0.389693 0.590154 O\n0.389693 0.498949 0.090154 O\n0.895214 0.519936 0.497961 O\n0.497479 0.878971 0.722483 O\n0.502521 0.121029 0.277517 O\n0.133115 0.839031 0.382643 O\n0.118093 0.506352 0.224608 O\n0.881907 0.493648 0.775392 O\n0.866885 0.160969 0.617357 O\n0.878971 0.497479 0.222483 O\n0.992027 0.880023 0.928023 O\n0.850144 0.156715 0.385514 O\n0.208236 0.717619 0.358833 O\n0.160969 0.866885 0.117357 O\n0.480064 0.104786 0.002039 O\n0.737437 0.768388 0.932083 O\n0.717619 0.208236 0.858833 O\n0.791764 0.282381 0.641167 O\n0.250886 0.205689 0.764380 O\n0.843285 0.149856 0.114486 O\n0.620359 0.836013 0.011251 O\n0.104786 0.480064 0.502039 O\n0.282381 0.791764 0.141167 O\n0.007973 0.119977 0.071977 O\n0.286207 0.788929 0.858451 O\n0.149856 0.843285 0.614486 O\n0.231612 0.262563 0.567917 O\n0.610307 0.501051 0.909846 O\n0.121029 0.502521 0.777517 O\n0.493648 0.881907 0.275392 O\n0.506352 0.118093 0.724608 O\n",
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{
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{
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}