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{
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{
"id": "mp-1100750",
"created_at": "2022-09-04T14:43:14.917147Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.450429 4.908881 0.000000\n-1.450429 4.908881 0.000000\n0.000000 3.086467 20.559605\nLi Mn Co O\n9 2 5 16\ndirect\n0.256199 0.256199 0.936106 Li\n0.743801 0.743801 0.063894 Li\n0.251932 0.251932 0.193961 Li\n0.739546 0.739546 0.320921 Li\n0.239402 0.239402 0.443902 Li\n0.760598 0.760598 0.556098 Li\n0.260454 0.260454 0.679079 Li\n0.748068 0.748068 0.806039 Li\n0.500000 0.500000 0.500000 Li\n0.001106 0.001106 0.874032 Mn\n0.998894 0.998894 0.125968 Mn\n0.500000 0.500000 0.000000 Co\n0.499525 0.499525 0.256076 Co\n0.983613 0.983613 0.387736 Co\n0.016387 0.016387 0.612264 Co\n0.500475 0.500475 0.743924 Co\n0.391246 0.391246 0.845741 O\n0.887655 0.887655 0.959894 O\n0.385213 0.385213 0.099516 O\n0.890343 0.890343 0.213930 O\n0.384399 0.384399 0.342460 O\n0.874399 0.874399 0.464268 O\n0.392795 0.392795 0.596784 O\n0.885411 0.885411 0.722378 O\n0.112345 0.112345 0.040106 O\n0.608754 0.608754 0.154259 O\n0.114589 0.114589 0.277622 O\n0.607205 0.607205 0.403216 O\n0.125601 0.125601 0.535732 O\n0.615601 0.615601 0.657540 O\n0.109657 0.109657 0.786070 O\n0.614787 0.614787 0.900484 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"updated_at": "2021-11-28T01:36:11.973000Z",
"spacegroup": 12
},
{
"id": "mp-685944",
"created_at": "2022-09-04T14:43:58.420744Z",
"structure_string": "Eu4 Zr4 O14\n1.0\n0.000000 5.414324 5.414324\n5.414324 0.000000 5.414324\n5.414324 5.414324 0.000000\nEu Zr O\n4 4 14\ndirect\n0.625000 0.125000 0.625000 Eu\n0.625000 0.625000 0.125000 Eu\n0.125000 0.625000 0.625000 Eu\n0.625000 0.625000 0.625000 Eu\n0.125000 0.125000 0.125000 Zr\n0.625000 0.125000 0.125000 Zr\n0.125000 0.125000 0.625000 Zr\n0.125000 0.625000 0.125000 Zr\n0.210066 0.789934 0.789934 O\n0.789934 0.789934 0.210066 O\n0.789934 0.210066 0.789934 O\n0.210066 0.789934 0.210066 O\n0.210066 0.210066 0.789934 O\n0.789934 0.210066 0.210066 O\n0.460066 0.039934 0.039934 O\n0.039934 0.039934 0.460066 O\n0.039934 0.460066 0.039934 O\n0.460066 0.039934 0.460066 O\n0.750000 0.750000 0.750000 O\n0.460066 0.460066 0.039934 O\n0.039934 0.460066 0.460066 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 22,
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"elements": [
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"Zr",
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],
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"density": 6.260189684584015,
"density_atomic": 0.06930426505006164,
"volume": 317.44078065193236,
"volume_molar": 8.689423018410098,
"formula_full": "Eu4 Zr4 O14",
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"energy": -222.27105444,
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"updated_at": "2021-11-28T01:36:24.503000Z",
"spacegroup": 227
},
{
"id": "mp-1234200",
"created_at": "2022-09-04T14:42:44.025721Z",
"structure_string": "Mg1 Fe6 Sb10 I6 O18\n1.0\n-7.956616 0.275268 -2.350791\n0.671115 0.110909 -9.292520\n0.184562 -12.322113 -2.574717\nMg Fe Sb I O\n1 6 10 6 18\ndirect\n0.474979 0.374683 0.184557 Mg\n0.731412 0.997893 0.327912 Fe\n0.274426 0.020939 0.656024 Fe\n0.023849 0.990021 0.120807 Fe\n0.987716 0.004564 0.874229 Fe\n0.633727 0.087685 0.062093 Fe\n0.386944 0.912994 0.931164 Fe\n0.885137 0.187040 0.493716 Sb\n0.080654 0.838860 0.501403 Sb\n0.276241 0.108659 0.261495 Sb\n0.716615 0.864642 0.743291 Sb\n0.545419 0.207916 0.772430 Sb\n0.479270 0.776944 0.235978 Sb\n0.223559 0.240720 0.992170 Sb\n0.786010 0.746381 0.017088 Sb\n0.820833 0.337688 0.187875 Sb\n0.153915 0.695383 0.791618 Sb\n0.744764 0.366283 0.929902 I\n0.249580 0.626353 0.070573 I\n0.882148 0.695762 0.306673 I\n0.123372 0.308305 0.697344 I\n0.483679 0.289142 0.424465 I\n0.447817 0.719474 0.595503 I\n0.171457 0.041074 0.973418 O\n0.852805 0.942624 0.016767 O\n0.845061 0.983911 0.469536 O\n0.120440 0.039431 0.529146 O\n0.797685 0.111725 0.181491 O\n0.207568 0.892233 0.803745 O\n0.467788 0.128478 0.923723 O\n0.558559 0.861398 0.088140 O\n0.772497 0.058408 0.779331 O\n0.243981 0.911490 0.220583 O\n0.489371 0.034722 0.715505 O\n0.513890 0.955760 0.293395 O\n0.105167 0.185794 0.132165 O\n0.933385 0.769414 0.860511 O\n0.018398 0.776667 0.652934 O\n0.928757 0.250065 0.341034 O\n0.615536 0.808724 0.891203 O\n0.406528 0.206895 0.126148 O\n",
"nsites": 41,
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"elements": [
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],
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"density_atomic": 0.043952557897356526,
"volume": 932.8239802504395,
"volume_molar": 13.701456861881967,
"formula_full": "Mg1 Fe6 Sb10 I6 O18",
"formula_reduced": "MgFe6Sb10(IO3)6",
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"energy": -250.57556076,
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"updated_at": "2021-11-28T01:35:58.481000Z",
"spacegroup": 1
},
{
"id": "mp-1233566",
"created_at": "2022-09-04T14:42:25.009797Z",
"structure_string": "Mg1 Fe6 Sb10 I6 O18\n1.0\n-7.599692 0.152854 -2.733002\n0.341722 0.147226 -9.689480\n-0.085205 -12.343789 -2.650914\nMg Fe Sb I O\n1 6 10 6 18\ndirect\n0.895750 0.587749 0.552994 Mg\n0.716121 0.990792 0.348174 Fe\n0.258648 0.001048 0.655853 Fe\n0.019172 0.975563 0.122940 Fe\n0.965021 0.048373 0.875494 Fe\n0.612132 0.088865 0.058776 Fe\n0.378031 0.924273 0.945483 Fe\n0.914852 0.157032 0.494891 Sb\n0.107665 0.777843 0.506616 Sb\n0.255541 0.141889 0.262192 Sb\n0.730557 0.868228 0.741600 Sb\n0.516611 0.204707 0.760379 Sb\n0.461562 0.798350 0.238606 Sb\n0.186968 0.261257 0.991974 Sb\n0.801642 0.751612 0.011821 Sb\n0.795418 0.297042 0.202185 Sb\n0.199654 0.714100 0.806756 Sb\n0.712031 0.342425 0.930055 I\n0.268682 0.659192 0.072034 I\n0.895947 0.664752 0.315674 I\n0.082646 0.329081 0.694908 I\n0.501555 0.282023 0.396873 I\n0.556555 0.624003 0.605247 I\n0.136331 0.071008 0.983762 O\n0.847421 0.944560 0.015975 O\n0.879654 0.960086 0.472614 O\n0.165864 0.074047 0.509233 O\n0.787118 0.092984 0.193382 O\n0.215755 0.912553 0.821462 O\n0.435126 0.134178 0.909162 O\n0.555182 0.867494 0.088859 O\n0.767816 0.057768 0.775786 O\n0.220502 0.952275 0.219782 O\n0.484130 0.032550 0.702488 O\n0.504622 0.961286 0.298432 O\n0.040928 0.252050 0.137561 O\n0.951305 0.761162 0.856590 O\n0.128810 0.832036 0.655695 O\n0.942177 0.220544 0.336426 O\n0.624657 0.815788 0.889015 O\n0.370467 0.188862 0.109961 O\n",
"nsites": 41,
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"elements": [
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],
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"density": 4.721550056663411,
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"volume": 923.6849849177239,
"volume_molar": 13.567221944080513,
"formula_full": "Mg1 Fe6 Sb10 I6 O18",
"formula_reduced": "MgFe6Sb10(IO3)6",
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"energy": -251.09259971,
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"updated_at": "2021-11-28T01:35:45.960000Z",
"spacegroup": 1
},
{
"id": "mp-774386",
"created_at": "2022-09-04T14:39:12.462233Z",
"structure_string": "Li4 Cr6 P8 H8 O32\n1.0\n8.208844 0.000000 0.000000\n0.000000 9.089174 0.000000\n0.000000 2.168442 9.026718\nLi Cr P H O\n4 6 8 8 32\ndirect\n0.334382 0.016009 0.021979 Li\n0.165618 0.016009 0.521979 Li\n0.834382 0.983991 0.478021 Li\n0.665618 0.983991 0.978021 Li\n0.500000 0.500000 0.000000 Cr\n0.147634 0.640322 0.003729 Cr\n0.647634 0.359678 0.496271 Cr\n0.000000 0.500000 0.500000 Cr\n0.352366 0.640322 0.503729 Cr\n0.852366 0.359678 0.996271 Cr\n0.569372 0.169571 0.228451 P\n0.810365 0.627122 0.203567 P\n0.310365 0.372878 0.296433 P\n0.069372 0.830429 0.271549 P\n0.930628 0.169571 0.728451 P\n0.689635 0.627122 0.703567 P\n0.189635 0.372878 0.796433 P\n0.430628 0.830429 0.771549 P\n0.991560 0.116162 0.208807 H\n0.040403 0.276637 0.228036 H\n0.540403 0.723363 0.271964 H\n0.491560 0.883838 0.291193 H\n0.508440 0.116162 0.708807 H\n0.459597 0.276637 0.728036 H\n0.959597 0.723363 0.771964 H\n0.008440 0.883838 0.791193 H\n0.634682 0.315480 0.120648 O\n0.996253 0.223260 0.153611 O\n0.933768 0.561422 0.112775 O\n0.538577 0.043926 0.146620 O\n0.299880 0.479647 0.139160 O\n0.644798 0.668501 0.134915 O\n0.169549 0.874210 0.130641 O\n0.385749 0.213716 0.272663 O\n0.885749 0.786284 0.227337 O\n0.669549 0.125790 0.369359 O\n0.144798 0.331499 0.365085 O\n0.799880 0.520353 0.360840 O\n0.038577 0.956074 0.353380 O\n0.433768 0.438578 0.387225 O\n0.496253 0.776740 0.346389 O\n0.134682 0.684520 0.379352 O\n0.865318 0.315480 0.620648 O\n0.503747 0.223260 0.653611 O\n0.566232 0.561422 0.612775 O\n0.961423 0.043926 0.646620 O\n0.200120 0.479647 0.639160 O\n0.855202 0.668501 0.634915 O\n0.330451 0.874210 0.630641 O\n0.114251 0.213716 0.772663 O\n0.614251 0.786284 0.727337 O\n0.830451 0.125790 0.869359 O\n0.355202 0.331499 0.865085 O\n0.700120 0.520353 0.860840 O\n0.461423 0.956074 0.853380 O\n0.066232 0.438578 0.887225 O\n0.003747 0.776740 0.846389 O\n0.365318 0.684520 0.879352 O\n",
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"formula_full": "Li4 Cr6 P8 H8 O32",
"formula_reduced": "Li2Cr3P4(HO4)4",
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"updated_at": "2021-11-28T01:34:40.405000Z",
"spacegroup": 14
},
{
"id": "mp-778901",
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"structure_string": "Li2 Cr6 P6 H4 O24\n1.0\n6.140593 6.288339 0.000000\n-6.140593 6.288339 0.000000\n0.000000 2.765754 5.992773\nLi Cr P H O\n2 6 6 4 24\ndirect\n0.985243 0.014757 0.250000 Li\n0.014757 0.985243 0.750000 Li\n0.946009 0.626031 0.136858 Cr\n0.626031 0.946009 0.636858 Cr\n0.278156 0.721844 0.250000 Cr\n0.721844 0.278156 0.750000 Cr\n0.373969 0.053991 0.363142 Cr\n0.053991 0.373969 0.863142 Cr\n0.677161 0.895127 0.108494 P\n0.895127 0.677161 0.608494 P\n0.676878 0.323122 0.250000 P\n0.323122 0.676878 0.750000 P\n0.104873 0.322839 0.391506 P\n0.322839 0.104873 0.891506 P\n0.624823 0.624225 0.182618 H\n0.624225 0.624823 0.682618 H\n0.375775 0.375177 0.317382 H\n0.375177 0.375775 0.817382 H\n0.854422 0.855180 0.086219 O\n0.604765 0.963396 0.303524 O\n0.855180 0.854422 0.586219 O\n0.963396 0.604765 0.803524 O\n0.323876 0.980811 0.112958 O\n0.570052 0.741931 0.144158 O\n0.707262 0.501436 0.226903 O\n0.719809 0.220663 0.460025 O\n0.980811 0.323876 0.612958 O\n0.741931 0.570052 0.644158 O\n0.501436 0.707262 0.726903 O\n0.779337 0.280191 0.039975 O\n0.220663 0.719809 0.960025 O\n0.498564 0.292738 0.273097 O\n0.258069 0.429948 0.355842 O\n0.019189 0.676124 0.387042 O\n0.280191 0.779337 0.539975 O\n0.292738 0.498564 0.773097 O\n0.429948 0.258069 0.855842 O\n0.676124 0.019189 0.887042 O\n0.036604 0.395235 0.196476 O\n0.144820 0.145578 0.413781 O\n0.395235 0.036604 0.696476 O\n0.145578 0.144820 0.913781 O\n",
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"formula_full": "Li2 Cr6 P6 H4 O24",
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"spacegroup": 15
},
{
"id": "mp-540179",
"created_at": "2022-09-04T14:44:16.764909Z",
"structure_string": "Li4 Cr6 P8 O28\n1.0\n8.113528 0.000000 0.000000\n0.000000 7.398269 0.000000\n0.000000 3.055639 9.127604\nLi Cr P O\n4 6 8 28\ndirect\n0.581342 0.295983 0.142762 Li\n0.081342 0.704017 0.357238 Li\n0.918658 0.295983 0.642762 Li\n0.418658 0.704017 0.857238 Li\n0.372887 0.805034 0.518925 Cr\n0.872887 0.194966 0.981075 Cr\n0.127113 0.805034 0.018925 Cr\n0.000000 0.000000 0.500000 Cr\n0.627113 0.194966 0.481075 Cr\n0.500000 0.000000 0.000000 Cr\n0.457352 0.597352 0.282668 P\n0.710291 0.890989 0.301680 P\n0.042648 0.597352 0.782668 P\n0.542648 0.402648 0.717332 P\n0.789709 0.890989 0.801680 P\n0.957352 0.402648 0.217332 P\n0.289709 0.109011 0.698320 P\n0.210291 0.109011 0.198320 P\n0.120958 0.147034 0.625112 O\n0.903201 0.297825 0.374054 O\n0.365142 0.313138 0.687773 O\n0.634858 0.686862 0.312227 O\n0.997080 0.388544 0.806175 O\n0.497080 0.611456 0.693825 O\n0.865142 0.686862 0.812227 O\n0.406890 0.012476 0.619020 O\n0.096799 0.702175 0.625946 O\n0.906890 0.987524 0.880980 O\n0.664718 0.375616 0.603387 O\n0.002920 0.611456 0.193825 O\n0.596799 0.297825 0.874054 O\n0.335282 0.624384 0.396613 O\n0.787362 0.005846 0.635699 O\n0.593110 0.987524 0.380980 O\n0.403201 0.702175 0.125946 O\n0.712638 0.005846 0.135699 O\n0.502920 0.388544 0.306175 O\n0.879042 0.852966 0.374888 O\n0.212638 0.994154 0.364301 O\n0.620958 0.852966 0.874888 O\n0.379042 0.147034 0.125112 O\n0.835282 0.375616 0.103387 O\n0.093110 0.012476 0.119020 O\n0.134858 0.313138 0.187773 O\n0.164718 0.624384 0.896613 O\n0.287362 0.994154 0.864301 O\n",
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"volume": 547.8941298498936,
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"formula_full": "Li4 Cr6 P8 O28",
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