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{
"id": "mp-756146",
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"structure_string": "Mg2 Ag4 O8\n1.0\n-2.945942 2.945942 5.905860\n2.945942 -2.945942 5.905860\n2.945942 2.945942 -5.905860\nMg Ag O\n2 4 8\ndirect\n0.250000 0.750000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.875000 0.125000 0.250000 Ag\n0.875000 0.625000 0.750000 Ag\n0.875000 0.125000 0.750000 Ag\n0.375000 0.125000 0.250000 Ag\n0.606275 0.871702 0.265427 O\n0.659152 0.393725 0.265427 O\n0.128298 0.393725 0.734573 O\n0.143725 0.909152 0.765427 O\n0.621702 0.856275 0.765427 O\n0.090848 0.856275 0.234573 O\n0.606275 0.340848 0.734573 O\n0.143725 0.378298 0.234573 O\n",
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{
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"structure_string": "Cr4 In4 O12\n1.0\n5.247183 0.000111 -0.000003\n0.000114 5.450137 0.000005\n-0.000005 0.000007 7.729873\nCr In O\n4 4 12\ndirect\n0.500006 0.000012 0.000005 Cr\n0.500018 0.999995 0.499997 Cr\n0.000009 0.500001 0.000012 Cr\n0.999993 0.499991 0.499992 Cr\n0.022749 0.938932 0.750000 In\n0.477237 0.438948 0.750000 In\n0.522738 0.561073 0.250000 In\n0.977254 0.061064 0.250000 In\n0.127884 0.441572 0.249997 O\n0.372079 0.941559 0.250002 O\n0.627927 0.058442 0.750001 O\n0.872113 0.558426 0.749998 O\n0.194450 0.197844 0.568781 O\n0.194445 0.197851 0.931216 O\n0.305488 0.697806 0.568789 O\n0.305479 0.697804 0.931212 O\n0.694512 0.302193 0.068787 O\n0.694515 0.302188 0.431211 O\n0.805551 0.802151 0.068780 O\n0.805555 0.802149 0.431220 O\n",
"nsites": 20,
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"volume": 221.05787380768044,
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"formula_full": "Cr4 In4 O12",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:36:57.458000Z",
"spacegroup": 62
},
{
"id": "mp-756148",
"created_at": "2022-09-04T14:44:08.891964Z",
"structure_string": "Sm4 Pt4 O14\n1.0\n0.000000 5.217696 5.217696\n5.217696 0.000000 5.217696\n5.217696 5.217696 0.000000\nSm Pt O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Sm\n0.625000 0.125000 0.125000 Sm\n0.125000 0.625000 0.125000 Sm\n0.125000 0.125000 0.625000 Sm\n0.625000 0.625000 0.125000 Pt\n0.625000 0.625000 0.625000 Pt\n0.625000 0.125000 0.625000 Pt\n0.125000 0.625000 0.625000 Pt\n0.712490 0.287510 0.287510 O\n0.712490 0.287510 0.712490 O\n0.000000 0.000000 0.000000 O\n0.287510 0.712490 0.287510 O\n0.712490 0.712490 0.287510 O\n0.962490 0.537510 0.537510 O\n0.287510 0.712490 0.712490 O\n0.250000 0.250000 0.250000 O\n0.962490 0.537510 0.962490 O\n0.537510 0.962490 0.537510 O\n0.537510 0.537510 0.962490 O\n0.962490 0.962490 0.537510 O\n0.537510 0.962490 0.962490 O\n0.287510 0.287510 0.712490 O\n",
"nsites": 22,
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"elements": [
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"density": 9.385674235246256,
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"volume": 284.09678035352795,
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"formula_full": "Sm4 Pt4 O14",
"formula_reduced": "Sm2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy": -165.0699383,
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"updated_at": "2021-11-28T01:36:31.590000Z",
"spacegroup": 227
},
{
"id": "mp-756149",
"created_at": "2022-09-04T14:39:37.686579Z",
"structure_string": "Li3 Nb4 Fe1 O12\n1.0\n5.640470 -0.003298 -0.002671\n6.347297 9.278398 -0.006339\n6.347085 6.307836 4.323306\nLi Nb Fe O\n3 4 1 12\ndirect\n0.280935 0.499435 0.285792 Li\n0.783051 0.000066 0.786552 Li\n0.785185 0.499218 0.783337 Li\n0.014843 0.003788 0.988783 Nb\n0.984052 0.497540 0.005993 Nb\n0.494118 0.997399 0.502501 Nb\n0.506548 0.503187 0.491266 Nb\n0.296752 0.000634 0.286560 Fe\n0.358656 0.306837 0.111244 O\n0.224275 0.123951 0.614717 O\n0.110718 0.319209 0.724383 O\n0.865175 0.193413 0.222583 O\n0.363747 0.802634 0.115235 O\n0.722441 0.372539 0.367576 O\n0.225601 0.629991 0.607081 O\n0.603388 0.177855 0.869964 O\n0.111403 0.822686 0.718532 O\n0.860547 0.692597 0.224993 O\n0.725197 0.875655 0.359050 O\n0.612968 0.681367 0.863459 O\n",
"nsites": 20,
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"volume_molar": 6.823829075875024,
"formula_full": "Li3 Nb4 Fe1 O12",
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"updated_at": "2021-11-28T01:34:31.092000Z",
"spacegroup": 1
},
{
"id": "mp-756151",
"created_at": "2022-09-04T14:48:00.756700Z",
"structure_string": "Li4 Cr5 W1 O12\n1.0\n4.577169 2.605284 0.000000\n-4.577169 2.605284 0.000000\n0.000000 1.060910 10.305220\nLi Cr W O\n4 5 1 12\ndirect\n0.876688 0.539720 0.290773 Li\n0.460280 0.123312 0.709227 Li\n0.539720 0.876688 0.290773 Li\n0.123312 0.460280 0.709227 Li\n0.836448 0.163552 0.500000 Cr\n0.666733 0.333267 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.333267 0.666733 0.000000 Cr\n0.163552 0.836448 0.500000 Cr\n0.000000 0.000000 0.000000 W\n0.015238 0.353202 0.899790 O\n0.646798 0.984762 0.100210 O\n0.812016 0.466917 0.603670 O\n0.533083 0.187984 0.396330 O\n0.843903 0.843903 0.395431 O\n0.695701 0.695701 0.905060 O\n0.304299 0.304299 0.094940 O\n0.156097 0.156097 0.604569 O\n0.466917 0.812016 0.603670 O\n0.187984 0.533083 0.396330 O\n0.353202 0.015238 0.899790 O\n0.984762 0.646798 0.100210 O\n",
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],
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"formula_full": "Li4 Cr5 W1 O12",
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},
{
"id": "mp-756152",
"created_at": "2022-09-04T14:40:26.937602Z",
"structure_string": "Sm4 U2 O11\n1.0\n2.746882 6.210908 0.000000\n-2.746882 6.210908 0.000000\n0.000000 2.298776 7.243968\nSm U O\n4 2 11\ndirect\n0.960582 0.680609 0.587296 Sm\n0.689607 0.312083 0.761406 Sm\n0.687917 0.310393 0.238594 Sm\n0.319391 0.039418 0.412704 Sm\n0.019855 0.659852 0.074371 U\n0.340148 0.980145 0.925629 U\n0.915909 0.084091 0.500000 O\n0.765647 0.891403 0.302667 O\n0.718750 0.916886 0.858638 O\n0.945447 0.054553 0.000000 O\n0.242239 0.462535 0.824871 O\n0.410538 0.589462 0.000000 O\n0.574831 0.736709 0.660650 O\n0.537465 0.757761 0.175129 O\n0.263291 0.425169 0.339350 O\n0.108597 0.234353 0.697333 O\n0.083114 0.281250 0.141362 O\n",
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"elements": [
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"density": 8.421099042550404,
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"volume": 247.17333568133682,
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"formula_full": "Sm4 U2 O11",
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"energy": -161.14084624999998,
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},
{
"id": "mp-756153",
"created_at": "2022-09-04T14:43:11.448819Z",
"structure_string": "Li6 Fe2 Sb8 O24\n1.0\n5.583900 -0.040926 -0.018981\n-0.014103 5.969206 -8.722439\n0.644585 6.323828 4.347357\nLi Fe Sb O\n6 2 8 24\ndirect\n0.057014 0.250175 0.784651 Li\n0.056292 0.750332 0.784318 Li\n0.567620 0.499702 0.783767 Li\n0.567624 0.000502 0.783673 Li\n0.057933 0.248861 0.279114 Li\n0.057343 0.749454 0.279131 Li\n0.573552 0.500456 0.283055 Fe\n0.578192 0.997337 0.281872 Fe\n0.997514 0.000692 0.989904 Sb\n0.996394 0.499893 0.990863 Sb\n0.483974 0.249256 0.501545 Sb\n0.486902 0.749543 0.503051 Sb\n0.994520 0.498982 0.500470 Sb\n0.993610 0.998186 0.500660 Sb\n0.488742 0.251455 0.991683 Sb\n0.488317 0.751762 0.990344 Sb\n0.779474 0.147371 0.414536 O\n0.784583 0.649974 0.416383 O\n0.964961 0.067338 0.743719 O\n0.964723 0.566839 0.744456 O\n0.162072 0.164055 0.046874 O\n0.162874 0.663148 0.048489 O\n0.288925 0.098206 0.415067 O\n0.290814 0.597974 0.414311 O\n0.293878 0.402745 0.914182 O\n0.293503 0.902698 0.912346 O\n0.465082 0.182771 0.744626 O\n0.464464 0.681480 0.745352 O\n0.460343 0.314228 0.243398 O\n0.462616 0.815902 0.242539 O\n0.662949 0.089128 0.045458 O\n0.661768 0.589479 0.046012 O\n0.653669 0.415210 0.540522 O\n0.654591 0.914605 0.546506 O\n0.788039 0.350338 0.913647 O\n0.788673 0.850326 0.914477 O\n0.956043 0.435864 0.241485 O\n0.958423 0.936862 0.240708 O\n0.154669 0.333618 0.548482 O\n0.155723 0.833253 0.547530 O\n",
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"formula_full": "Li6 Fe2 Sb8 O24",
"formula_reduced": "Li3Fe(SbO3)4",
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},
{
"id": "mp-756154",
"created_at": "2022-09-04T14:43:50.085835Z",
"structure_string": "Li4 Cr6 Bi2 O16\n1.0\n0.000159 3.488425 -4.933298\n-9.444717 -1.964840 -5.089007\n-3.021085 1.744223 4.933403\nLi Cr Bi O\n4 6 2 16\ndirect\n0.127166 0.309249 0.563603 Li\n0.127133 0.809299 0.063586 Li\n0.872860 0.190700 0.936450 Li\n0.872829 0.690751 0.436434 Li\n0.499999 0.499992 0.999978 Cr\n0.000004 0.500008 0.999987 Cr\n0.500007 0.499991 0.499979 Cr\n0.499983 0.000033 0.499929 Cr\n0.000035 0.999967 0.499975 Cr\n0.500013 0.000003 0.999935 Cr\n0.500019 0.249969 0.250028 Bi\n0.499989 0.750024 0.750016 Bi\n0.733375 0.399935 0.866699 O\n0.733347 0.899964 0.366677 O\n0.266635 0.100045 0.633321 O\n0.266631 0.600058 0.133322 O\n0.718240 0.387979 0.359128 O\n0.718283 0.888017 0.859145 O\n0.252906 0.387968 0.359124 O\n0.252851 0.887998 0.859153 O\n0.252909 0.387966 0.893807 O\n0.252855 0.887997 0.393720 O\n0.747144 0.112005 0.606292 O\n0.747081 0.612033 0.106207 O\n0.747150 0.112005 0.140865 O\n0.747087 0.612035 0.640893 O\n0.281698 0.111992 0.140853 O\n0.281769 0.612016 0.640896 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.151926977111958,
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"volume": 326.7272309701244,
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"formula_full": "Li4 Cr6 Bi2 O16",
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{
"id": "mp-756155",
"created_at": "2022-09-04T14:41:12.556631Z",
"structure_string": "Li24 Fe4 O16\n1.0\n6.686419 -0.000441 -0.000446\n-0.000725 6.691772 4.671189\n0.000154 -6.690807 4.669748\nLi Fe O\n24 4 16\ndirect\n0.249994 0.474176 0.224114 Li\n0.249980 0.974188 0.724138 Li\n0.249974 0.224170 0.974103 Li\n0.249988 0.724164 0.474100 Li\n0.750048 0.525879 0.775843 Li\n0.750037 0.025870 0.275823 Li\n0.750019 0.775882 0.025860 Li\n0.750051 0.275895 0.525859 Li\n0.035137 0.642617 0.107340 Li\n0.035190 0.142625 0.607360 Li\n0.035109 0.857477 0.892512 Li\n0.035133 0.357469 0.392511 Li\n0.464963 0.642577 0.107415 Li\n0.464924 0.142596 0.607415 Li\n0.464796 0.857436 0.892572 Li\n0.464806 0.357436 0.392568 Li\n0.535014 0.142601 0.107477 Li\n0.535057 0.642596 0.607467 Li\n0.535192 0.357446 0.892574 Li\n0.535207 0.857435 0.392576 Li\n0.964843 0.142634 0.107400 Li\n0.964813 0.642640 0.607400 Li\n0.964898 0.357481 0.892495 Li\n0.964889 0.857476 0.392500 Li\n0.250249 0.999819 0.250178 Fe\n0.749649 0.999727 0.750094 Fe\n0.250397 0.500087 0.749958 Fe\n0.749748 0.499710 0.250169 Fe\n0.016257 0.605431 0.355372 O\n0.016236 0.105419 0.855376 O\n0.250081 0.238424 0.222359 O\n0.250078 0.738555 0.722179 O\n0.250132 0.472430 0.988416 O\n0.250101 0.972262 0.488536 O\n0.483601 0.605378 0.355208 O\n0.483599 0.105421 0.855224 O\n0.516484 0.394763 0.644578 O\n0.516287 0.894706 0.144568 O\n0.749983 0.761307 0.777998 O\n0.749946 0.261425 0.277883 O\n0.749923 0.527616 0.011576 O\n0.750023 0.027613 0.511569 O\n0.983769 0.394683 0.644555 O\n0.983747 0.894633 0.144604 O\n",
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"formula_full": "Li24 Fe4 O16",
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{
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