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{
"id": "mp-753672",
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"structure_string": "Na4 Fe4 P4 O16\n1.0\n2.745048 4.267217 0.000101\n-2.744980 4.267173 0.000065\n0.000155 0.000259 13.776131\nNa Fe P O\n4 4 4 16\ndirect\n0.315729 0.315681 0.374997 Na\n0.315776 0.315758 0.874988 Na\n0.684202 0.684228 0.125016 Na\n0.684233 0.684243 0.624993 Na\n0.999956 0.999956 0.499988 Fe\n0.999918 0.999892 0.750015 Fe\n0.999910 0.999932 0.999978 Fe\n0.999928 0.999921 0.249972 Fe\n0.336157 0.336211 0.124982 P\n0.336239 0.336237 0.625011 P\n0.663846 0.663804 0.375006 P\n0.663830 0.663819 0.875023 P\n0.210439 0.676000 0.124994 O\n0.210495 0.675974 0.625013 O\n0.324076 0.789503 0.375000 O\n0.324096 0.789512 0.875028 O\n0.675941 0.210488 0.124984 O\n0.675971 0.210481 0.625001 O\n0.789538 0.324041 0.374999 O\n0.789518 0.324066 0.875007 O\n0.231345 0.231385 0.033811 O\n0.231305 0.231322 0.533860 O\n0.231259 0.231336 0.216135 O\n0.231337 0.231327 0.716172 O\n0.768727 0.768701 0.283852 O\n0.768734 0.768748 0.783871 O\n0.768751 0.768740 0.466140 O\n0.768744 0.768693 0.966163 O\n",
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{
"id": "mp-753673",
"created_at": "2022-09-04T14:41:11.570256Z",
"structure_string": "Bi8 O8 F8\n1.0\n3.949082 0.000000 0.000000\n0.000000 8.346615 0.000000\n0.000000 4.072206 11.738215\nBi O F\n8 8 8\ndirect\n0.750000 0.912949 0.878015 Bi\n0.250000 0.827860 0.593834 Bi\n0.750000 0.678887 0.337343 Bi\n0.750000 0.446942 0.874592 Bi\n0.250000 0.553058 0.125408 Bi\n0.250000 0.321113 0.662657 Bi\n0.750000 0.172140 0.406166 Bi\n0.250000 0.087051 0.121985 Bi\n0.750000 0.887030 0.496134 O\n0.750000 0.648210 0.989252 O\n0.250000 0.750915 0.236554 O\n0.250000 0.500774 0.756222 O\n0.750000 0.499226 0.243778 O\n0.750000 0.249085 0.763446 O\n0.250000 0.351790 0.010748 O\n0.250000 0.112970 0.503866 O\n0.250000 0.900760 0.988019 F\n0.250000 0.985969 0.755715 F\n0.750000 0.757616 0.752842 F\n0.250000 0.625238 0.499838 F\n0.750000 0.374762 0.500162 F\n0.250000 0.242384 0.247158 F\n0.750000 0.014031 0.244285 F\n0.750000 0.099240 0.011981 F\n",
"nsites": 24,
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"spacegroup": 11
},
{
"id": "mp-753674",
"created_at": "2022-09-04T14:47:27.692516Z",
"structure_string": "Li6 Mn8 O16\n1.0\n2.882877 -2.174746 -4.826106\n-5.765398 3.215728 -4.999508\n2.882641 5.390277 -0.173667\nLi Mn O\n6 8 16\ndirect\n0.000003 0.499998 0.500000 Li\n0.499999 0.999999 0.000001 Li\n0.999999 0.499998 0.000001 Li\n0.499999 0.999999 0.499999 Li\n0.250175 0.250093 0.249897 Li\n0.749823 0.749906 0.750106 Li\n0.999990 0.000001 0.500023 Mn\n0.249576 0.750416 0.749635 Mn\n0.750432 0.249578 0.250368 Mn\n0.499981 0.500003 0.999966 Mn\n0.750401 0.249729 0.749718 Mn\n0.249596 0.750276 0.250283 Mn\n0.000008 0.000001 0.000001 Mn\n0.500018 0.500008 0.499987 Mn\n0.038963 0.759783 0.980250 O\n0.539202 0.259512 0.480290 O\n0.460799 0.740492 0.519710 O\n0.961033 0.240215 0.019749 O\n0.758975 0.015026 0.771600 O\n0.258576 0.515452 0.271805 O\n0.741430 0.484549 0.728197 O\n0.241020 0.984971 0.228402 O\n0.243854 0.982623 0.730646 O\n0.743611 0.482100 0.230988 O\n0.010834 0.762735 0.523858 O\n0.511518 0.262655 0.024382 O\n0.488480 0.737342 0.975617 O\n0.989164 0.237265 0.476144 O\n0.256388 0.517900 0.769012 O\n0.756154 0.017374 0.269364 O\n",
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"volume": 304.3176820080049,
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"formula_full": "Li6 Mn8 O16",
"formula_reduced": "Li3Mn4O8",
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"energy": -226.78985941,
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{
"id": "mp-753675",
"created_at": "2022-09-04T14:39:42.189980Z",
"structure_string": "Li1 V1 F4\n1.0\n3.260664 -3.409103 0.000000\n3.260664 3.409103 0.000000\n0.000000 0.000000 3.118534\nLi V F\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 V\n0.189371 0.810629 0.000000 F\n0.293489 0.293489 0.500000 F\n0.810629 0.189371 0.000000 F\n0.706511 0.706511 0.500000 F\n",
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"volume": 69.33087007381376,
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"formula_full": "Li1 V1 F4",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy": -37.91553891,
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"updated_at": "2021-11-28T01:34:24.624000Z",
"spacegroup": 65
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{
"id": "mp-753676",
"created_at": "2022-09-04T14:48:10.709256Z",
"structure_string": "Ta4 Ti2 O12\n1.0\n3.423848 4.572327 0.000000\n-3.423848 4.572327 0.000000\n0.000000 3.080130 6.807173\nTa Ti O\n4 2 12\ndirect\n0.828805 0.828805 0.671457 Ta\n0.821418 0.821418 0.173192 Ta\n0.171195 0.171195 0.328543 Ta\n0.178582 0.178582 0.826808 Ta\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.124770 0.532141 0.171531 O\n0.806435 0.193565 0.500000 O\n0.398261 0.398261 0.805102 O\n0.738837 0.738837 0.466445 O\n0.065659 0.065659 0.129222 O\n0.261163 0.261163 0.533555 O\n0.601739 0.601739 0.194898 O\n0.934341 0.934341 0.870778 O\n0.875230 0.467859 0.828469 O\n0.193565 0.806435 0.500000 O\n0.532141 0.124770 0.171531 O\n0.467859 0.875230 0.828469 O\n",
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"formula_full": "Ta4 Ti2 O12",
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},
{
"id": "mp-753677",
"created_at": "2022-09-04T14:41:59.995521Z",
"structure_string": "Li6 Bi2 S6\n1.0\n4.175314 -5.463033 0.000000\n4.175314 5.463033 0.000000\n-2.972585 0.000000 6.200138\nLi Bi S\n6 2 6\ndirect\n0.098317 0.474589 0.696242 Li\n0.196242 0.974589 0.598317 Li\n0.974589 0.598317 0.196242 Li\n0.696242 0.098317 0.474589 Li\n0.474589 0.696242 0.098317 Li\n0.598317 0.196242 0.974589 Li\n0.515093 0.515093 0.515093 Bi\n0.015093 0.015093 0.015093 Bi\n0.280439 0.293133 0.926107 S\n0.426107 0.793133 0.780439 S\n0.780439 0.426107 0.793133 S\n0.293133 0.926107 0.280439 S\n0.793133 0.780439 0.426107 S\n0.926107 0.280439 0.293133 S\n",
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{
"id": "mp-753678",
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"structure_string": "Ba1 W6 O18\n1.0\n3.733463 -6.466548 0.000000\n3.733463 6.466548 0.000000\n0.000000 0.000000 7.691895\nBa W O\n1 6 18\ndirect\n0.000000 0.000000 0.565928 Ba\n0.000000 0.504321 0.751634 W\n0.000000 0.492394 0.250095 W\n0.495679 0.495679 0.751634 W\n0.507606 0.507606 0.250095 W\n0.492394 0.000000 0.250095 W\n0.504321 0.000000 0.751634 W\n0.000000 0.498670 0.999069 O\n0.000000 0.498774 0.501086 O\n0.210523 0.786793 0.253272 O\n0.209530 0.791114 0.745965 O\n0.208886 0.418416 0.745965 O\n0.213207 0.423730 0.253272 O\n0.576270 0.789477 0.253272 O\n0.581584 0.790470 0.745965 O\n0.501330 0.501330 0.999069 O\n0.501226 0.501226 0.501086 O\n0.423730 0.213207 0.253272 O\n0.418416 0.208886 0.745965 O\n0.498774 0.000000 0.501086 O\n0.790470 0.581584 0.745965 O\n0.789477 0.576270 0.253272 O\n0.498670 0.000000 0.999069 O\n0.786793 0.210523 0.253272 O\n0.791114 0.209530 0.745965 O\n",
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{
"id": "mp-753679",
"created_at": "2022-09-04T14:46:10.217315Z",
"structure_string": "Nb4 V4 O16\n1.0\n-0.025396 -5.360577 -3.790550\n-6.290406 0.697043 4.659364\n-0.000055 3.928170 -5.555231\nNb V O\n4 4 16\ndirect\n0.761964 0.529202 0.264612 Nb\n0.511394 0.029283 0.014636 Nb\n0.262216 0.529154 0.764587 Nb\n0.011712 0.029212 0.514607 Nb\n0.618904 0.243069 0.621538 V\n0.869737 0.744487 0.872248 V\n0.369808 0.744479 0.372244 V\n0.119191 0.243209 0.121614 V\n0.442657 0.488425 0.244174 O\n0.195089 0.989124 0.994548 O\n0.942325 0.489958 0.744943 O\n0.693364 0.988131 0.494049 O\n0.288388 0.986082 0.493068 O\n0.039390 0.486563 0.243290 O\n0.789110 0.985015 0.992534 O\n0.537511 0.484971 0.742503 O\n0.869314 0.744401 0.570473 O\n0.620018 0.244419 0.320658 O\n0.369659 0.744448 0.070587 O\n0.119213 0.244435 0.820668 O\n0.869336 0.744398 0.173931 O\n0.620036 0.244420 0.923760 O\n0.369677 0.744449 0.673867 O\n0.119230 0.244433 0.423768 O\n",
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{
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"created_at": "2022-09-04T14:39:58.030459Z",
"structure_string": "Li3 V1 Cr1 P2 O8 F2\n1.0\n5.292757 0.054089 0.020347\n-0.704620 5.336740 -0.024783\n2.433157 2.506219 6.698351\nLi V Cr P O F\n3 1 1 2 8 2\ndirect\n0.257572 0.588954 0.865310 Li\n0.506637 0.963949 0.509628 Li\n0.725934 0.399040 0.148666 Li\n0.000098 0.000361 0.999227 V\n0.006030 0.003515 0.500521 Cr\n0.334297 0.643505 0.239387 P\n0.667311 0.359899 0.758178 P\n0.130341 0.671726 0.126816 O\n0.277857 0.790753 0.389849 O\n0.324977 0.346000 0.336284 O\n0.636451 0.754285 0.078542 O\n0.364164 0.248577 0.917568 O\n0.676941 0.658531 0.659457 O\n0.726984 0.210960 0.609103 O\n0.867941 0.332136 0.873820 O\n0.167324 0.906527 0.751783 F\n0.836480 0.087701 0.249141 F\n",
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{
"id": "mp-753681",
"created_at": "2022-09-04T14:42:09.266657Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n-4.579551 0.000000 0.000000\n0.097260 8.711765 0.000000\n-0.024000 -4.352498 -7.594912\nLi V O F\n3 6 3 15\ndirect\n0.499219 0.333489 0.666283 Li\n0.995354 0.001143 0.999925 Li\n0.492261 0.667604 0.336124 Li\n0.015582 0.351005 0.993237 V\n0.484885 0.667141 0.996756 V\n0.015590 0.662573 0.649677 V\n0.485144 0.987045 0.673556 V\n0.518159 0.312391 0.324118 V\n0.982468 0.012814 0.349023 V\n0.255744 0.463170 0.907325 O\n0.736407 0.205452 0.422819 O\n0.264140 0.780256 0.572424 O\n0.242184 0.117466 0.891760 F\n0.734669 0.221721 0.786854 F\n0.249859 0.105534 0.559238 F\n0.737188 0.563709 0.773590 F\n0.228650 0.772889 0.883671 F\n0.765154 0.887387 0.780329 F\n0.261661 0.434255 0.540688 F\n0.235196 0.105389 0.216316 F\n0.749691 0.546384 0.439635 F\n0.739883 0.892938 0.458765 F\n0.770621 0.231012 0.106145 F\n0.266416 0.433633 0.215406 F\n0.744040 0.567625 0.113629 F\n0.261193 0.793187 0.228932 F\n0.768643 0.882788 0.113873 F\n",
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{
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{
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}