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{
"id": "mp-1038364",
"created_at": "2022-09-04T14:40:10.791511Z",
"structure_string": "Hf1 Mg30 B1 O31\n1.0\n8.566684 0.000000 0.000000\n0.000000 8.597922 0.000000\n0.000000 0.000000 8.600985\nHf Mg B O\n1 30 1 31\ndirect\n0.014212 0.000000 0.500000 Hf\n0.000055 0.500000 0.000000 Mg\n0.998120 0.500000 0.500000 Mg\n0.500443 0.000000 0.000000 Mg\n0.500065 0.000000 0.500000 Mg\n0.500021 0.500000 0.000000 Mg\n0.500336 0.500000 0.500000 Mg\n0.999971 0.254254 0.242539 Mg\n0.999971 0.254254 0.757461 Mg\n0.999971 0.745746 0.242539 Mg\n0.999971 0.745746 0.757461 Mg\n0.499807 0.250619 0.248557 Mg\n0.499807 0.250619 0.751443 Mg\n0.499807 0.749381 0.248557 Mg\n0.499807 0.749381 0.751443 Mg\n0.254495 0.000000 0.240866 Mg\n0.254495 0.000000 0.759134 Mg\n0.250508 0.500000 0.247621 Mg\n0.250508 0.500000 0.752379 Mg\n0.747272 0.000000 0.243880 Mg\n0.747272 0.000000 0.756120 Mg\n0.749422 0.500000 0.248630 Mg\n0.749422 0.500000 0.751370 Mg\n0.248544 0.249326 0.000000 Mg\n0.252090 0.255084 0.500000 Mg\n0.248544 0.750674 0.000000 Mg\n0.252090 0.744916 0.500000 Mg\n0.751451 0.248242 0.000000 Mg\n0.747137 0.252502 0.500000 Mg\n0.751451 0.751758 0.000000 Mg\n0.747137 0.747498 0.500000 Mg\n0.999773 0.000000 0.000000 B\n0.265029 0.000000 0.000000 O\n0.251996 0.500000 0.000000 O\n0.249811 0.500000 0.500000 O\n0.735863 0.000000 0.000000 O\n0.749613 0.000000 0.500000 O\n0.747948 0.500000 0.000000 O\n0.747819 0.500000 0.500000 O\n0.249204 0.251612 0.247086 O\n0.249204 0.251612 0.752914 O\n0.249204 0.748388 0.247086 O\n0.249204 0.748388 0.752914 O\n0.750853 0.248569 0.249499 O\n0.750853 0.248569 0.750501 O\n0.750853 0.751431 0.249499 O\n0.750853 0.751431 0.750501 O\n0.000095 0.000000 0.263939 O\n0.000095 0.000000 0.736061 O\n0.999613 0.500000 0.252456 O\n0.999613 0.500000 0.747544 O\n0.500049 0.000000 0.252875 O\n0.500049 0.000000 0.747125 O\n0.500340 0.500000 0.251157 O\n0.500340 0.500000 0.748843 O\n0.999517 0.264773 0.000000 O\n0.993506 0.255833 0.500000 O\n0.999517 0.735227 0.000000 O\n0.993506 0.744167 0.500000 O\n0.500346 0.251703 0.000000 O\n0.500395 0.250724 0.500000 O\n0.500346 0.748297 0.000000 O\n0.500395 0.749276 0.500000 O\n",
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"density": 3.707463251742734,
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"volume": 633.5114059891911,
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"formula_full": "Hf1 Mg30 B1 O31",
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"updated_at": "2021-11-28T01:34:50.126000Z",
"spacegroup": 25
},
{
"id": "mp-765692",
"created_at": "2022-09-04T14:40:10.795147Z",
"structure_string": "Li4 Co8 O4 F12\n1.0\n5.193257 0.000000 0.000000\n0.000000 5.999052 0.000000\n0.000000 0.000000 10.291347\nLi Co O F\n4 8 4 12\ndirect\n0.974880 0.750000 0.589596 Li\n0.525120 0.750000 0.089596 Li\n0.474880 0.250000 0.910404 Li\n0.025120 0.250000 0.410404 Li\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.002219 0.250000 0.744788 Co\n0.497781 0.250000 0.244788 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.502219 0.750000 0.755212 Co\n0.997781 0.750000 0.255212 Co\n0.831645 0.250000 0.915546 O\n0.668355 0.250000 0.415546 O\n0.331645 0.750000 0.584454 O\n0.168355 0.750000 0.084454 O\n0.791348 0.750000 0.424890 F\n0.770812 0.988329 0.666356 F\n0.770812 0.511671 0.666356 F\n0.729188 0.988329 0.166356 F\n0.729188 0.511671 0.166356 F\n0.708652 0.750000 0.924890 F\n0.291348 0.250000 0.075110 F\n0.270812 0.011671 0.833644 F\n0.270812 0.488329 0.833644 F\n0.229188 0.488329 0.333644 F\n0.229188 0.011671 0.333644 F\n0.208652 0.250000 0.575110 F\n",
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"elements": [
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"formula_full": "Li4 Co8 O4 F12",
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"spacegroup": 62
},
{
"id": "mp-1022619",
"created_at": "2022-09-04T14:40:10.813522Z",
"structure_string": "Mg12 Zn2 Co2\n1.0\n4.817376 0.000000 0.000000\n0.000000 6.074827 0.000000\n0.000000 0.000000 10.432294\nMg Zn Co\n12 2 2\ndirect\n0.000000 0.265138 0.092328 Mg\n0.000000 0.734862 0.092328 Mg\n0.000000 0.500000 0.834000 Mg\n0.500000 0.243255 0.912418 Mg\n0.500000 0.756745 0.912418 Mg\n0.500000 0.500000 0.665625 Mg\n0.000000 0.765138 0.592328 Mg\n0.000000 0.234862 0.592328 Mg\n0.000000 0.000000 0.334000 Mg\n0.500000 0.743255 0.412418 Mg\n0.500000 0.256745 0.412418 Mg\n0.500000 0.000000 0.165625 Mg\n0.000000 0.500000 0.324896 Zn\n0.000000 0.000000 0.824896 Zn\n0.500000 0.500000 0.165987 Co\n0.500000 0.000000 0.665987 Co\n",
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"elements": [
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],
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"density": 2.9389721279069088,
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"volume": 305.29822331189075,
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"formula_full": "Mg12 Zn2 Co2",
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"updated_at": "2021-11-28T01:34:48.619000Z",
"spacegroup": 38
},
{
"id": "mp-1354539",
"created_at": "2022-09-04T14:40:10.819565Z",
"structure_string": "Li4 Ti1 Ni3 Sn2 P6 O24\n1.0\n-8.441285 0.000000 0.000000\n4.214083 7.396092 0.000000\n-0.051914 -4.771373 -7.796341\nLi Ti Ni Sn P O\n4 1 3 2 6 24\ndirect\n0.395856 0.863698 0.322232 Li\n0.634296 0.090406 0.833247 Li\n0.904120 0.711488 0.840018 Li\n0.297292 0.349866 0.842008 Li\n0.856209 0.159648 0.551072 Ti\n0.155006 0.849611 0.464652 Ni\n0.322500 0.652200 0.001842 Ni\n0.656958 0.347736 0.954216 Ni\n0.008403 0.985180 0.069405 Sn\n0.475359 0.498122 0.423135 Sn\n0.456834 0.252478 0.237093 P\n0.750072 0.966615 0.246836 P\n0.959040 0.457679 0.741390 P\n0.242595 0.042151 0.739809 P\n0.539015 0.758763 0.731405 P\n0.037172 0.546345 0.239885 P\n0.515021 0.811585 0.858718 O\n0.151430 0.450575 0.882169 O\n0.260774 0.099069 0.266064 O\n0.186428 0.843369 0.878441 O\n0.611061 0.203333 0.404811 O\n0.466661 0.455071 0.203492 O\n0.890783 0.878748 0.278842 O\n0.546118 0.807469 0.243599 O\n0.984096 0.612313 0.574087 O\n0.202774 0.524672 0.225401 O\n0.853903 0.256541 0.709028 O\n0.219036 0.031300 0.571583 O\n0.810771 0.036507 0.397177 O\n0.117354 0.749081 0.256845 O\n0.828174 0.476887 0.800345 O\n0.990025 0.397735 0.408565 O\n0.445103 0.176796 0.800942 O\n0.104545 0.139855 0.707383 O\n0.528560 0.552800 0.798789 O\n0.392677 0.792205 0.554031 O\n0.749872 0.123522 0.072860 O\n0.743607 0.894331 0.706122 O\n0.868561 0.539112 0.080319 O\n0.464940 0.238139 0.082138 O\n",
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"elements": [
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"formula_full": "Li4 Ti1 Ni3 Sn2 P6 O24",
"formula_reduced": "Li4TiNi3Sn2(PO4)6",
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{
"id": "mp-1233843",
"created_at": "2022-09-04T14:40:10.823137Z",
"structure_string": "Mg1 Co6 O2 F10\n1.0\n5.189167 -0.427738 -0.005631\n-0.425996 5.186194 0.018307\n-0.003437 0.035237 9.241839\nMg Co O F\n1 6 2 10\ndirect\n0.457493 0.963460 0.998536 Mg\n0.954754 0.967729 0.994562 Co\n0.055974 0.038385 0.337028 Co\n0.012522 0.996644 0.660083 Co\n0.564273 0.480543 0.180906 Co\n0.550818 0.474434 0.825245 Co\n0.447576 0.551374 0.485670 Co\n0.317417 0.344841 0.323354 O\n0.658481 0.676246 0.997594 O\n0.191385 0.854539 0.149438 F\n0.186863 0.838843 0.838763 F\n0.227917 0.840577 0.507036 F\n0.280873 0.269061 0.983087 F\n0.293887 0.327567 0.672848 F\n0.711468 0.686527 0.655691 F\n0.748644 0.724437 0.335203 F\n0.738244 0.155485 0.133808 F\n0.732398 0.141931 0.839996 F\n0.855124 0.167377 0.502583 F\n",
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{
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"structure_string": "K1 Ca1 Ni2 H3 Se2 O10\n1.0\n4.786080 3.188577 -2.490107\n4.997291 -3.789046 -2.864625\n1.460565 -0.524624 -8.564832\nK Ca Ni H Se O\n1 1 2 3 2 10\ndirect\n0.489760 0.463408 0.443116 K\n0.560062 0.472293 0.812643 Ca\n0.014196 0.457304 0.985919 Ni\n0.491975 0.970474 0.935285 Ni\n0.798209 0.754755 0.758343 H\n0.236924 0.282078 0.276810 H\n0.213114 0.558463 0.145006 H\n0.897485 0.898262 0.274137 Se\n0.105971 0.037721 0.726373 Se\n0.823972 0.732826 0.517251 O\n0.263360 0.179520 0.485739 O\n0.212828 0.791803 0.177580 O\n0.834917 0.189473 0.220236 O\n0.791024 0.141473 0.734119 O\n0.181863 0.742933 0.760413 O\n0.697306 0.669838 0.895908 O\n0.233097 0.410993 0.138857 O\n0.745293 0.858793 0.185184 O\n0.304026 0.282974 0.849747 O\n",
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"formula_full": "K1 Ca1 Ni2 H3 Se2 O10",
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{
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{
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"created_at": "2022-09-04T14:40:10.851278Z",
"structure_string": "Li4 Cr4 B4 O12\n1.0\n1.999621 4.102718 2.636838\n-5.806993 -0.346345 5.360912\n3.719089 -3.962805 2.575930\nLi Cr B O\n4 4 4 12\ndirect\n0.415941 0.652068 0.962848 Li\n0.915908 0.152142 0.462860 Li\n0.584085 0.347859 0.037140 Li\n0.084058 0.847928 0.537149 Li\n0.401435 0.988098 0.238397 Cr\n0.098579 0.511898 0.261598 Cr\n0.901492 0.488184 0.738566 Cr\n0.598517 0.011827 0.761445 Cr\n0.901939 0.831872 0.091384 B\n0.401915 0.331828 0.591356 B\n0.098085 0.168175 0.908642 B\n0.598053 0.668123 0.408617 B\n0.042962 0.683547 0.023317 O\n0.542876 0.183499 0.523230 O\n0.957124 0.316498 0.976765 O\n0.457027 0.816452 0.476697 O\n0.649807 0.847115 0.003287 O\n0.149786 0.347147 0.503357 O\n0.350217 0.152852 0.996641 O\n0.850187 0.652884 0.496714 O\n0.500157 0.457653 0.752115 O\n0.000083 0.957693 0.252119 O\n0.499917 0.542314 0.247879 O\n0.999848 0.042342 0.747878 O\n",
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{
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"structure_string": "Li2 Co4 P10 O30\n1.0\n8.464346 0.000000 0.000000\n0.000000 5.276820 0.000000\n0.000000 4.123928 12.888091\nLi Co P O\n2 4 10 30\ndirect\n0.005528 0.054881 0.469174 Li\n0.994472 0.054881 0.969174 Li\n0.685309 0.934378 0.967538 Co\n0.691159 0.060992 0.539401 Co\n0.314691 0.934378 0.467538 Co\n0.308841 0.060992 0.039401 Co\n0.178233 0.363431 0.601981 P\n0.508491 0.497856 0.641944 P\n0.942339 0.001832 0.749465 P\n0.506733 0.498058 0.861060 P\n0.821767 0.363431 0.101981 P\n0.491509 0.497856 0.141944 P\n0.057661 0.001832 0.249465 P\n0.493267 0.498058 0.361060 P\n0.822865 0.645391 0.394092 P\n0.177135 0.645391 0.894092 P\n0.133617 0.065154 0.340118 O\n0.487581 0.207860 0.924932 O\n0.489494 0.792634 0.583517 O\n0.136922 0.361185 0.952459 O\n0.858169 0.650741 0.047495 O\n0.810446 0.171354 0.039601 O\n0.510506 0.792634 0.083517 O\n0.380926 0.342596 0.098506 O\n0.658862 0.351339 0.167635 O\n0.149800 0.937337 0.166148 O\n0.938905 0.250776 0.198455 O\n0.426290 0.487343 0.252957 O\n0.937412 0.751265 0.295823 O\n0.189300 0.847117 0.952087 O\n0.660827 0.641197 0.330594 O\n0.386150 0.669889 0.399417 O\n0.512419 0.207860 0.424932 O\n0.863078 0.361185 0.452459 O\n0.339173 0.641197 0.830594 O\n0.189554 0.171354 0.539601 O\n0.141831 0.650741 0.547495 O\n0.613850 0.669889 0.899417 O\n0.619074 0.342596 0.598506 O\n0.341138 0.351339 0.667635 O\n0.850200 0.937337 0.666148 O\n0.061095 0.250776 0.698455 O\n0.573710 0.487343 0.752957 O\n0.062588 0.751265 0.795823 O\n0.866383 0.065154 0.840118 O\n0.810700 0.847117 0.452087 O\n",
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],
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"formula_full": "Li2 Co4 P10 O30",
"formula_reduced": "LiCo2(PO3)5",
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"updated_at": "2021-11-28T01:34:51.208000Z",
"spacegroup": 7
},
{
"id": "mp-1093622",
"created_at": "2022-09-04T14:40:10.864784Z",
"structure_string": "Al2 Tc1 Pt1\n1.0\n-4.765725 5.174743 7.218482\n4.765725 -5.174743 7.218482\n4.765725 5.174743 -7.218482\nAl Tc Pt\n2 1 1\ndirect\n0.000000 0.253662 0.253662 Al\n0.000000 0.746338 0.746338 Al\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pt\n",
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],
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"density": 0.8093080409444315,
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"formula_full": "Al2 Tc1 Pt1",
"formula_reduced": "Al2TcPt",
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},
{
"id": "mp-1177704",
"created_at": "2022-09-04T14:40:10.874793Z",
"structure_string": "Li6 Fe6 O16\n1.0\n5.089029 2.915802 0.000000\n-5.089029 2.915802 0.000000\n0.000000 0.097414 9.865565\nLi Fe O\n6 6 16\ndirect\n0.668288 0.336689 0.498871 Li\n0.658676 0.326082 0.885226 Li\n0.006156 0.007150 0.001626 Li\n0.007150 0.006156 0.501626 Li\n0.336689 0.668288 0.998871 Li\n0.326082 0.658676 0.385226 Li\n0.337806 0.168636 0.214712 Fe\n0.831379 0.663242 0.215666 Fe\n0.831033 0.167978 0.215911 Fe\n0.167978 0.831033 0.715911 Fe\n0.168636 0.337806 0.714712 Fe\n0.663242 0.831379 0.715666 Fe\n0.311955 0.159927 0.612882 O\n0.513290 0.478773 0.321303 O\n0.643589 0.321545 0.099598 O\n0.022786 0.010923 0.320444 O\n0.010923 0.022786 0.820444 O\n0.847521 0.694057 0.614835 O\n0.511241 0.030943 0.321821 O\n0.962702 0.480886 0.319329 O\n0.157401 0.849048 0.111697 O\n0.849048 0.157401 0.611697 O\n0.030943 0.511241 0.821821 O\n0.480886 0.962702 0.819329 O\n0.321545 0.643589 0.599598 O\n0.159927 0.311955 0.112882 O\n0.478773 0.513290 0.821303 O\n0.694057 0.847521 0.114835 O\n",
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{
"id": "mp-1200746",
"created_at": "2022-09-04T14:40:10.880281Z",
"structure_string": "Dy8 V4 O20\n1.0\n7.060468 0.000000 0.000000\n0.000000 6.799651 0.000000\n0.000000 1.760079 9.221578\nDy V O\n8 4 20\ndirect\n0.642635 0.988699 0.849855 Dy\n0.142635 0.511301 0.150145 Dy\n0.357365 0.011301 0.150145 Dy\n0.857365 0.488699 0.849855 Dy\n0.620516 0.764668 0.529482 Dy\n0.120516 0.735332 0.470518 Dy\n0.379484 0.235332 0.470518 Dy\n0.879484 0.264668 0.529482 Dy\n0.098807 0.988624 0.803833 V\n0.598807 0.511376 0.196167 V\n0.901193 0.011376 0.196167 V\n0.401193 0.488624 0.803833 V\n0.383888 0.924438 0.392518 O\n0.883888 0.575562 0.607482 O\n0.616112 0.075562 0.607482 O\n0.116112 0.424438 0.392518 O\n0.919281 0.193672 0.778720 O\n0.419281 0.306328 0.221280 O\n0.080719 0.806328 0.221280 O\n0.580719 0.693672 0.778720 O\n0.141609 0.026646 0.603955 O\n0.641609 0.473354 0.396045 O\n0.858391 0.973354 0.396045 O\n0.358391 0.526646 0.603955 O\n0.924509 0.808536 0.875066 O\n0.424509 0.691464 0.124934 O\n0.075491 0.191464 0.124934 O\n0.575491 0.308536 0.875066 O\n0.316191 0.005035 0.898863 O\n0.816191 0.494965 0.101137 O\n0.683809 0.994965 0.101137 O\n0.183809 0.505035 0.898863 O\n",
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}
]
}