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{
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{
"id": "mp-758759",
"created_at": "2022-09-04T14:45:55.725618Z",
"structure_string": "Li6 Ti3 Ni6 O18\n1.0\n4.352717 6.484575 0.000000\n-4.352717 6.484575 0.000000\n0.000000 1.449469 5.723136\nLi Ti Ni O\n6 3 6 18\ndirect\n0.004558 0.344982 0.668174 Li\n0.344982 0.004558 0.668174 Li\n0.995442 0.655018 0.331826 Li\n0.655018 0.995442 0.331826 Li\n0.324631 0.675369 0.000000 Li\n0.675369 0.324631 0.000000 Li\n0.328956 0.671044 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.671044 0.328956 0.500000 Ti\n0.005801 0.333621 0.162746 Ni\n0.663843 0.663843 0.158644 Ni\n0.333621 0.005801 0.162746 Ni\n0.994199 0.666379 0.837254 Ni\n0.666379 0.994199 0.837254 Ni\n0.336157 0.336157 0.841356 Ni\n0.512589 0.512589 0.262983 O\n0.847788 0.484734 0.947573 O\n0.484734 0.847788 0.947573 O\n0.487411 0.487411 0.737017 O\n0.834499 0.479844 0.395643 O\n0.479844 0.834499 0.395643 O\n0.152212 0.515266 0.052427 O\n0.811741 0.811741 0.070420 O\n0.515266 0.152212 0.052427 O\n0.165501 0.520156 0.604357 O\n0.841987 0.841987 0.611086 O\n0.520156 0.165501 0.604357 O\n0.160592 0.826481 0.280834 O\n0.826481 0.160592 0.280834 O\n0.188259 0.188259 0.929580 O\n0.173519 0.839408 0.719166 O\n0.839408 0.173519 0.719166 O\n0.158013 0.158013 0.388914 O\n",
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},
{
"id": "mp-754087",
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"structure_string": "Li3 Fe2 Si2 O8\n1.0\n5.032249 0.000000 0.000000\n-0.061449 5.333610 0.000000\n-0.011054 -0.059995 6.639711\nLi Fe Si O\n3 2 2 8\ndirect\n0.500539 0.174350 0.006554 Li\n0.005299 0.814317 0.503026 Li\n0.996682 0.346162 0.760469 Li\n0.003661 0.817670 0.019213 Fe\n0.499633 0.174783 0.499525 Fe\n0.002081 0.324876 0.252621 Si\n0.513063 0.685779 0.752144 Si\n0.890345 0.194151 0.041326 O\n0.324803 0.266532 0.262907 O\n0.941102 0.621222 0.265999 O\n0.876943 0.183428 0.460280 O\n0.398227 0.843638 0.556072 O\n0.840932 0.686714 0.749309 O\n0.405785 0.385650 0.729774 O\n0.398835 0.820289 0.953459 O\n",
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"elements": [
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],
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"volume": 178.21019905474242,
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"formula_full": "Li3 Fe2 Si2 O8",
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"spacegroup": 1
},
{
"id": "mp-1214416",
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"structure_string": "Ba1 Er1 Fe4 O7\n1.0\n0.000000 4.579064 4.579064\n4.579064 0.000000 4.579064\n4.579064 4.579064 0.000000\nBa Er Fe O\n1 1 4 7\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Er\n0.381505 0.381505 0.381505 Fe\n0.381505 0.381505 0.855484 Fe\n0.381505 0.855484 0.381505 Fe\n0.855484 0.381505 0.381505 Fe\n0.754447 0.245553 0.245553 O\n0.245553 0.754447 0.754447 O\n0.245553 0.754447 0.245553 O\n0.754447 0.245553 0.754447 O\n0.245553 0.245553 0.754447 O\n0.754447 0.754447 0.245553 O\n0.250000 0.250000 0.250000 O\n",
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],
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"formula_full": "Ba1 Er1 Fe4 O7",
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"energy": -103.20427134,
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},
{
"id": "mp-1661592",
"created_at": "2022-09-04T14:45:55.747920Z",
"structure_string": "Li8 Mn6 Co6 Sb4 O32\n1.0\n-3.024106 5.144253 -0.023654\n0.124338 -0.016062 19.389173\n5.998002 -0.029850 0.036486\nLi Mn Co Sb O\n8 6 6 4 32\ndirect\n0.658140 0.451599 0.344398 Li\n0.659534 0.953457 0.329260 Li\n0.001948 0.494699 0.995823 Li\n0.999615 0.994439 0.005623 Li\n0.009255 0.244012 0.996279 Li\n0.004281 0.743677 0.009341 Li\n0.338874 0.202866 0.664096 Li\n0.336124 0.700723 0.679043 Li\n0.827333 0.606412 0.660705 Mn\n0.662225 0.356083 0.827630 Mn\n0.169546 0.358231 0.824488 Mn\n0.834806 0.106509 0.658764 Mn\n0.664238 0.856586 0.844771 Mn\n0.159832 0.857006 0.823159 Mn\n0.169032 0.356111 0.335483 Co\n0.181118 0.856475 0.344668 Co\n0.833792 0.107498 0.168740 Co\n0.828300 0.604607 0.172000 Co\n0.341999 0.106432 0.169869 Co\n0.340225 0.608079 0.170695 Co\n0.669078 0.243679 0.318509 Sb\n0.669789 0.742722 0.340771 Sb\n0.327221 0.493745 0.660072 Sb\n0.330543 0.993583 0.663807 Sb\n0.499875 0.170055 0.030335 O\n0.510005 0.676192 0.043091 O\n0.658006 0.057701 0.335308 O\n0.653667 0.555460 0.347483 O\n0.012461 0.149179 0.992519 O\n0.004140 0.649601 0.989150 O\n0.995448 0.400579 0.979147 O\n0.004833 0.898671 0.006384 O\n0.178474 0.049989 0.328505 O\n0.157323 0.543312 0.324408 O\n0.856527 0.297018 0.656465 O\n0.851517 0.795611 0.672888 O\n0.338512 0.307064 0.684433 O\n0.334334 0.808224 0.670180 O\n0.458602 0.425748 0.969299 O\n0.447269 0.923894 0.963810 O\n0.828426 0.295345 0.142036 O\n0.827221 0.795104 0.162522 O\n0.335120 0.298722 0.150019 O\n0.335732 0.796366 0.196253 O\n0.969745 0.174828 0.443668 O\n0.964513 0.669953 0.503097 O\n0.543161 0.177350 0.498107 O\n0.529520 0.670426 0.501937 O\n0.487951 0.423412 0.533252 O\n0.514713 0.925199 0.551055 O\n0.029588 0.421122 0.529788 O\n0.031514 0.924167 0.473668 O\n0.663160 0.047150 0.856817 O\n0.666108 0.548077 0.824052 O\n0.143321 0.043978 0.811636 O\n0.152967 0.549116 0.820690 O\n",
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"elements": [
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],
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"density_atomic": 0.09388355768337675,
"volume": 596.4835737143725,
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"formula_full": "Li8 Mn6 Co6 Sb4 O32",
"formula_reduced": "Li4Mn3Co3(SbO8)2",
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},
{
"id": "mp-1215840",
"created_at": "2022-09-04T14:45:57.341902Z",
"structure_string": "Yb6 Dy2 Sb6\n1.0\n6.612417 4.708436 0.000000\n-6.612417 4.708436 0.000000\n0.000000 4.696682 6.694626\nYb Dy Sb\n6 2 6\ndirect\n0.000918 0.359048 0.495237 Yb\n0.495720 0.495745 0.148440 Yb\n0.644520 0.148418 0.356652 Yb\n0.359048 0.000918 0.995237 Yb\n0.495745 0.495720 0.648440 Yb\n0.148418 0.644520 0.856652 Yb\n0.855170 0.000328 0.999508 Dy\n0.000328 0.855170 0.499508 Dy\n0.633478 0.873787 0.750267 Sb\n0.873787 0.633478 0.250267 Sb\n0.239984 0.118501 0.628790 Sb\n0.756610 0.377773 0.871105 Sb\n0.377773 0.756610 0.371105 Sb\n0.118501 0.239984 0.128790 Sb\n",
"nsites": 14,
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"Sb"
],
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"density": 8.340480514323417,
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"volume": 416.8628763865798,
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"formula_full": "Yb6 Dy2 Sb6",
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{
"id": "mp-1229270",
"created_at": "2022-09-04T14:45:55.757238Z",
"structure_string": "Al22 H4 N2 O34\n1.0\n-2.829067 -4.894896 0.000000\n-2.829067 4.894896 0.000000\n0.000000 0.000000 -22.866011\nAl H N O\n22 4 2 34\ndirect\n0.667543 0.333793 0.524727 Al\n0.333793 0.667543 0.475273 Al\n0.333793 0.667543 0.024727 Al\n0.667543 0.333793 0.975273 Al\n0.171017 0.335930 0.606454 Al\n0.171223 0.835056 0.606507 Al\n0.668046 0.834092 0.606585 Al\n0.834092 0.668046 0.393415 Al\n0.835056 0.171223 0.393493 Al\n0.335930 0.171017 0.393546 Al\n0.834092 0.668046 0.106585 Al\n0.835056 0.171223 0.106507 Al\n0.335930 0.171017 0.106454 Al\n0.171017 0.335930 0.893546 Al\n0.171223 0.835056 0.893493 Al\n0.668046 0.834092 0.893415 Al\n0.001235 0.001235 0.500000 Al\n0.001235 0.001235 0.000000 Al\n0.666761 0.333436 0.675441 Al\n0.333436 0.666761 0.324559 Al\n0.333436 0.666761 0.175441 Al\n0.666761 0.333436 0.824559 Al\n0.399344 0.866701 0.750000 H\n0.400641 0.531960 0.750000 H\n0.531960 0.400641 0.250000 H\n0.866701 0.399344 0.250000 H\n0.311465 0.655549 0.750000 N\n0.655549 0.311465 0.250000 N\n0.502099 0.998981 0.644178 O\n0.502153 0.503233 0.644026 O\n0.007652 0.503921 0.646096 O\n0.503921 0.007652 0.353904 O\n0.503233 0.502153 0.355974 O\n0.998981 0.502099 0.355822 O\n0.503921 0.007652 0.146096 O\n0.503233 0.502153 0.144026 O\n0.998981 0.502099 0.144178 O\n0.502099 0.998981 0.855822 O\n0.502153 0.503233 0.855974 O\n0.007652 0.503921 0.853904 O\n0.003006 0.001466 0.640679 O\n0.001466 0.003006 0.359321 O\n0.001466 0.003006 0.140679 O\n0.003006 0.001466 0.859321 O\n0.622751 0.312184 0.750000 O\n0.312184 0.622751 0.250000 O\n0.845075 0.686145 0.549439 O\n0.844925 0.159117 0.549737 O\n0.315468 0.157728 0.549258 O\n0.157728 0.315468 0.450742 O\n0.159117 0.844925 0.450263 O\n0.686145 0.845075 0.450561 O\n0.157728 0.315468 0.049258 O\n0.159117 0.844925 0.049737 O\n0.686145 0.845075 0.049439 O\n0.845075 0.686145 0.950561 O\n0.844925 0.159117 0.950263 O\n0.315468 0.157728 0.950742 O\n0.333545 0.667057 0.555403 O\n0.667057 0.333545 0.444597 O\n0.667057 0.333545 0.055403 O\n0.333545 0.667057 0.944597 O\n",
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{
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"structure_string": "Ca4 Nb4 O12\n1.0\n5.558866 0.000000 0.000000\n0.000000 5.716317 0.000000\n0.000000 0.000000 7.983121\nCa Nb O\n4 4 12\ndirect\n0.008718 0.051948 0.250000 Ca\n0.508718 0.448052 0.750000 Ca\n0.491282 0.551948 0.250000 Ca\n0.991282 0.948052 0.750000 Ca\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 Nb\n0.800952 0.203297 0.545536 O\n0.300952 0.296703 0.454464 O\n0.699048 0.703297 0.954464 O\n0.199048 0.796703 0.045536 O\n0.199048 0.796703 0.454464 O\n0.699048 0.703297 0.545536 O\n0.300952 0.296703 0.045536 O\n0.800952 0.203297 0.954464 O\n0.587599 0.972276 0.250000 O\n0.087599 0.527724 0.750000 O\n0.912401 0.472276 0.250000 O\n0.412401 0.027724 0.750000 O\n",
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{
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{
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{
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{
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}