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{
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"results": [
{
"id": "mp-9804",
"created_at": "2022-09-04T14:39:23.612612Z",
"structure_string": "K2 Ho2 C4 O12\n1.0\n4.794781 4.239657 0.000000\n-4.794781 4.239657 0.000000\n0.000000 2.459786 6.605045\nK Ho C O\n2 2 4 12\ndirect\n0.881636 0.118364 0.250000 K\n0.118364 0.881636 0.750000 K\n0.407899 0.592101 0.250000 Ho\n0.592101 0.407899 0.750000 Ho\n0.602530 0.856170 0.751873 C\n0.143830 0.397470 0.748127 C\n0.397470 0.143830 0.248127 C\n0.856170 0.602530 0.251873 C\n0.057086 0.592024 0.234926 O\n0.407976 0.942914 0.265074 O\n0.942914 0.407976 0.765074 O\n0.592024 0.057086 0.734926 O\n0.791417 0.741449 0.123030 O\n0.258551 0.208583 0.376970 O\n0.208583 0.258551 0.876970 O\n0.741449 0.791417 0.623030 O\n0.699609 0.464775 0.399878 O\n0.535225 0.300391 0.100122 O\n0.300391 0.535225 0.600122 O\n0.464775 0.699609 0.899878 O\n",
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{
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"structure_string": "Li3 Fe8 B8 O24\n1.0\n-5.234941 0.000000 0.000000\n-0.094137 -9.128540 0.000000\n2.607190 4.462881 10.126719\nLi Fe B O\n3 8 8 24\ndirect\n0.281765 0.276141 0.898889 Li\n0.266275 0.252114 0.162057 Li\n0.970356 0.984882 0.631446 Li\n0.013881 0.348593 0.380856 Fe\n0.256918 0.928213 0.876365 Fe\n0.466628 0.164293 0.627654 Fe\n0.252920 0.572925 0.132463 Fe\n0.772413 0.444504 0.880853 Fe\n0.519195 0.854535 0.377850 Fe\n0.982920 0.643646 0.631896 Fe\n0.734330 0.054775 0.120945 Fe\n0.031998 0.691979 0.387702 B\n0.273452 0.596486 0.873620 B\n0.482847 0.817120 0.627274 B\n0.237041 0.904410 0.134124 B\n0.517934 0.179624 0.368947 B\n0.768242 0.114752 0.880331 B\n0.963741 0.314497 0.633738 B\n0.734260 0.384124 0.119420 B\n0.021708 0.101709 0.866076 O\n0.122324 0.695100 0.824453 O\n0.154243 0.496753 0.917620 O\n0.098899 0.188520 0.639445 O\n0.042965 0.411545 0.574851 O\n0.236167 0.829229 0.660703 O\n0.257014 0.681548 0.341354 O\n0.535630 0.596652 0.881619 O\n0.613929 0.225497 0.845074 O\n0.460684 0.079390 0.424798 O\n0.349010 0.289056 0.351399 O\n0.652074 0.022620 0.930476 O\n0.351555 0.007322 0.090181 O\n0.639254 0.699874 0.636284 O\n0.566262 0.930456 0.586115 O\n0.393763 0.805546 0.180305 O\n0.467902 0.379835 0.109589 O\n0.745021 0.352433 0.684634 O\n0.750554 0.167932 0.325395 O\n0.964942 0.573008 0.428534 O\n0.877795 0.816185 0.399225 O\n0.862616 0.477484 0.076701 O\n0.890510 0.283756 0.171347 O\n0.974503 0.906124 0.128789 O\n",
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"formula_full": "Li3 Fe8 B8 O24",
"formula_reduced": "Li3Fe8(BO3)8",
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{
"id": "mp-1210232",
"created_at": "2022-09-04T14:42:40.069836Z",
"structure_string": "Na2 Mo6 P4 O28\n1.0\n6.485464 0.000000 0.000000\n0.000000 8.688546 0.000000\n0.000000 3.950495 9.983006\nNa Mo P O\n2 6 4 28\ndirect\n0.250000 0.009528 0.755098 Na\n0.750000 0.990472 0.244902 Na\n0.250000 0.748742 0.169970 Mo\n0.750000 0.251258 0.830030 Mo\n0.250000 0.334431 0.123066 Mo\n0.750000 0.665569 0.876934 Mo\n0.250000 0.735658 0.493158 Mo\n0.750000 0.264342 0.506842 Mo\n0.250000 0.384033 0.801067 P\n0.750000 0.615967 0.198933 P\n0.250000 0.351190 0.437259 P\n0.750000 0.648810 0.562741 P\n0.250000 0.567593 0.112928 O\n0.750000 0.432407 0.887072 O\n0.250000 0.916693 0.022582 O\n0.750000 0.083307 0.977418 O\n0.938345 0.729124 0.189967 O\n0.061655 0.270876 0.810033 O\n0.438345 0.270876 0.810033 O\n0.561655 0.729124 0.189967 O\n0.250000 0.854555 0.294821 O\n0.750000 0.145445 0.705179 O\n0.250000 0.891404 0.554537 O\n0.750000 0.108596 0.445463 O\n0.468236 0.216204 0.133337 O\n0.531764 0.783796 0.866663 O\n0.968236 0.783796 0.866663 O\n0.031764 0.216204 0.133337 O\n0.938312 0.721118 0.472114 O\n0.061688 0.278882 0.527886 O\n0.438312 0.278882 0.527886 O\n0.561688 0.721118 0.472114 O\n0.250000 0.534194 0.669738 O\n0.750000 0.465806 0.330262 O\n0.250000 0.446347 0.919238 O\n0.750000 0.553653 0.080762 O\n0.250000 0.288528 0.320238 O\n0.750000 0.711472 0.679762 O\n0.250000 0.541896 0.385258 O\n0.750000 0.458104 0.614742 O\n",
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"volume": 562.534923759933,
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"formula_full": "Na2 Mo6 P4 O28",
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"spacegroup": 11
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{
"id": "mp-1228934",
"created_at": "2022-09-04T14:41:48.870077Z",
"structure_string": "Ba10 Pr5 Nb4 Sn1 O30\n1.0\n-6.197926 6.168990 0.012704\n-3.098151 -9.251449 -4.347707\n0.001889 -6.169132 8.711555\nBa Pr Nb Sn O\n10 5 4 1 30\ndirect\n0.648159 0.699324 0.099585 Ba\n0.849079 0.298468 0.897923 Ba\n0.246061 0.497577 0.499536 Ba\n0.450898 0.099344 0.301333 Ba\n0.047023 0.901059 0.699025 Ba\n0.752977 0.498941 0.500975 Ba\n0.950921 0.101532 0.302077 Ba\n0.349102 0.300656 0.898667 Ba\n0.553939 0.902423 0.700464 Ba\n0.151841 0.700676 0.100415 Ba\n0.799395 0.399834 0.199191 Pr\n0.000605 0.000166 0.000809 Pr\n0.400000 0.200000 0.600000 Pr\n0.599846 0.799319 0.400487 Pr\n0.200154 0.600681 0.799513 Pr\n0.300033 0.400010 0.199976 Nb\n0.700289 0.600044 0.800286 Nb\n0.099711 0.799956 0.399714 Nb\n0.499967 0.999990 0.000024 Nb\n0.900000 0.200000 0.600000 Sn\n0.924629 0.611398 0.777470 O\n0.130923 0.211016 0.576772 O\n0.523633 0.411171 0.176020 O\n0.723849 0.009305 0.978141 O\n0.322766 0.809542 0.375929 O\n0.569367 0.404799 0.731073 O\n0.763605 0.998753 0.527384 O\n0.168983 0.204840 0.130888 O\n0.369043 0.804277 0.931344 O\n0.968106 0.604593 0.329432 O\n0.477234 0.590458 0.824071 O\n0.669077 0.188984 0.623228 O\n0.076151 0.390695 0.221859 O\n0.276367 0.988829 0.023980 O\n0.875371 0.788602 0.422530 O\n0.831894 0.795407 0.870568 O\n0.036395 0.401247 0.672616 O\n0.430957 0.595723 0.268656 O\n0.631017 0.195160 0.069112 O\n0.230633 0.995201 0.468927 O\n0.809577 0.273258 0.399428 O\n0.211075 0.471333 0.005523 O\n0.610293 0.669745 0.605668 O\n0.009766 0.869452 0.205449 O\n0.410645 0.069351 0.805643 O\n0.990423 0.126742 0.800572 O\n0.389355 0.330649 0.394357 O\n0.790234 0.530548 0.994551 O\n0.189707 0.730255 0.594332 O\n0.588925 0.928667 0.194477 O\n",
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"formula_full": "Ba10 Pr5 Nb4 Sn1 O30",
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{
"id": "mp-555867",
"created_at": "2022-09-04T14:46:31.612238Z",
"structure_string": "Ba2 Nb4 Bi4 O18\n1.0\n2.861826 -12.735282 0.000000\n2.861826 12.735282 0.000000\n0.000000 0.000000 5.760265\nBa Nb Bi O\n2 4 4 18\ndirect\n0.751714 0.751714 0.535208 Ba\n0.248286 0.248286 0.035208 Ba\n0.337153 0.166261 0.522861 Nb\n0.833739 0.662847 0.022861 Nb\n0.166261 0.337153 0.522861 Nb\n0.662847 0.833739 0.022861 Nb\n0.477913 0.075083 0.927206 Bi\n0.924917 0.522087 0.427206 Bi\n0.522087 0.924917 0.427206 Bi\n0.075083 0.477913 0.927206 Bi\n0.736773 0.233758 0.231520 O\n0.428038 0.578529 0.799098 O\n0.135432 0.453366 0.566514 O\n0.421471 0.571962 0.299098 O\n0.085611 0.919395 0.802910 O\n0.919395 0.085611 0.802910 O\n0.546634 0.864568 0.066514 O\n0.864568 0.546634 0.066514 O\n0.080605 0.914389 0.302910 O\n0.914389 0.080605 0.302910 O\n0.578529 0.428038 0.799098 O\n0.571962 0.421471 0.299098 O\n0.263227 0.766242 0.731520 O\n0.233758 0.736773 0.231520 O\n0.766242 0.263227 0.731520 O\n0.453366 0.135432 0.566514 O\n0.764947 0.764947 0.052574 O\n0.235053 0.235053 0.552574 O\n",
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{
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"structure_string": "Ta2 Co2 Ni4\n1.0\n2.619826 -4.469439 0.000000\n2.619826 4.469439 0.000000\n0.000000 0.000000 4.198199\nTa Co Ni\n2 2 4\ndirect\n0.335559 0.664441 0.000000 Ta\n0.663788 0.336212 0.500000 Ta\n0.842229 0.679491 0.000000 Co\n0.320509 0.157771 0.000000 Co\n0.839616 0.160384 0.000000 Ni\n0.159293 0.320948 0.500000 Ni\n0.679052 0.840707 0.500000 Ni\n0.159714 0.840286 0.500000 Ni\n",
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{
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"structure_string": "Eu4 Fe4 Ge8 O28\n1.0\n6.674143 0.000000 0.000000\n0.000000 7.408037 0.000000\n0.000000 6.067364 11.647201\nEu Fe Ge O\n4 4 8 28\ndirect\n0.355099 0.746301 0.524700 Eu\n0.644901 0.253699 0.475300 Eu\n0.855099 0.253699 0.975300 Eu\n0.144901 0.746301 0.024700 Eu\n0.399370 0.711550 0.269819 Fe\n0.600630 0.288450 0.730181 Fe\n0.899370 0.288450 0.230181 Fe\n0.100630 0.711550 0.769819 Fe\n0.657664 0.713956 0.043235 Ge\n0.342336 0.286044 0.956765 Ge\n0.157664 0.286044 0.456765 Ge\n0.842336 0.713956 0.543235 Ge\n0.910381 0.799694 0.281046 Ge\n0.089619 0.200306 0.718954 Ge\n0.410381 0.200306 0.218954 Ge\n0.589619 0.799694 0.781046 Ge\n0.373838 0.934651 0.305392 O\n0.626162 0.065349 0.694608 O\n0.873838 0.065349 0.194608 O\n0.126162 0.934651 0.805392 O\n0.824893 0.909013 0.021549 O\n0.175107 0.090987 0.978451 O\n0.324893 0.090987 0.478451 O\n0.675107 0.909013 0.521549 O\n0.609818 0.277283 0.279076 O\n0.390182 0.722717 0.720924 O\n0.109818 0.722717 0.220924 O\n0.890182 0.277283 0.779076 O\n0.996792 0.752736 0.422716 O\n0.003208 0.247264 0.577284 O\n0.496792 0.247264 0.077284 O\n0.503208 0.752736 0.922716 O\n0.449105 0.703323 0.127732 O\n0.550895 0.296677 0.872268 O\n0.949105 0.296677 0.372268 O\n0.050895 0.703323 0.627732 O\n0.837500 0.513943 0.078168 O\n0.162500 0.486057 0.921832 O\n0.337500 0.486057 0.421832 O\n0.662500 0.513943 0.578168 O\n0.686991 0.655633 0.313111 O\n0.313009 0.344367 0.686889 O\n0.186991 0.344367 0.186889 O\n0.813009 0.655633 0.813111 O\n",
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{
"id": "mp-1104205",
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"structure_string": "Ba1 Er1 Fe4 O7\n1.0\n-3.166648 3.166648 4.646953\n3.166648 -3.166648 4.646953\n3.166648 3.166648 -4.646953\nBa Er Fe O\n1 1 4 7\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Er\n0.139004 0.349978 0.729934 Fe\n0.620044 0.409069 0.270066 Fe\n0.650022 0.379956 0.789026 Fe\n0.590931 0.860996 0.210974 Fe\n0.824933 0.319979 0.099047 O\n0.220932 0.725886 0.900953 O\n0.680021 0.779068 0.504954 O\n0.274114 0.175067 0.495046 O\n0.756017 0.756017 0.000000 O\n0.243983 0.243983 0.000000 O\n0.750000 0.250000 0.500000 O\n",
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{
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{
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{
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