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{
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"results": [
{
"id": "mp-1028295",
"created_at": "2022-09-04T14:42:26.018549Z",
"structure_string": "Mg14 Si1 Sn1\n1.0\n6.261544 -0.192784 0.000000\n-3.297727 5.711831 0.000000\n0.000000 0.000000 10.168650\nMg Si Sn\n14 1 1\ndirect\n0.170800 0.335399 0.625000 Mg\n0.170094 0.835046 0.625000 Mg\n0.670825 0.334757 0.125000 Mg\n0.667737 0.334649 0.625000 Mg\n0.670825 0.836067 0.125000 Mg\n0.667737 0.833087 0.625000 Mg\n0.328215 0.159395 0.369372 Mg\n0.328215 0.159395 0.880628 Mg\n0.328215 0.668820 0.369372 Mg\n0.328215 0.668820 0.880628 Mg\n0.832693 0.166347 0.376271 Mg\n0.832693 0.166347 0.873729 Mg\n0.838389 0.669195 0.370401 Mg\n0.838389 0.669195 0.879599 Mg\n0.162275 0.831137 0.125000 Si\n0.164686 0.332342 0.125000 Sn\n",
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"formula_full": "Mg14 Si1 Sn1",
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{
"id": "mp-1173259",
"created_at": "2022-09-04T14:42:26.061780Z",
"structure_string": "Sr4 Nd2 Ga2 Cu4 O14\n1.0\n5.298913 -0.040327 -1.412848\n-0.368676 5.386376 -1.516146\n0.424788 0.579259 12.201387\nSr Nd Ga Cu O\n4 2 2 4 14\ndirect\n0.152469 0.176168 0.305105 Sr\n0.331695 0.369541 0.692829 Sr\n0.651112 0.637013 0.305552 Sr\n0.836928 0.829861 0.694331 Sr\n0.497447 0.494895 0.000211 Nd\n0.998234 0.996085 0.001129 Nd\n0.219143 0.823530 0.501437 Ga\n0.717145 0.183845 0.495925 Ga\n0.076882 0.575966 0.150119 Cu\n0.920785 0.419472 0.852600 Cu\n0.580748 0.076956 0.157063 Cu\n0.417324 0.918607 0.846219 Cu\n0.814400 0.324363 0.131881 O\n0.674753 0.670002 0.868417 O\n0.307267 0.308224 0.130726 O\n0.324910 0.810533 0.137153 O\n0.173065 0.683347 0.871034 O\n0.181644 0.183606 0.864018 O\n0.825588 0.819427 0.136873 O\n0.217499 0.625592 0.358878 O\n0.354888 0.779357 0.647583 O\n0.375501 0.128262 0.500316 O\n0.686192 0.172640 0.866970 O\n0.704231 0.224597 0.348801 O\n0.862861 0.387605 0.635238 O\n0.873490 0.880506 0.499595 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 5.85659148921938,
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"volume": 356.28393804962536,
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"formula_full": "Sr4 Nd2 Ga2 Cu4 O14",
"formula_reduced": "Sr2NdGaCu2O7",
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"spacegroup": 1
},
{
"id": "mp-722896",
"created_at": "2022-09-04T14:42:26.211381Z",
"structure_string": "Mg14 Si8 H4 O32\n1.0\n5.828500 0.000000 0.000000\n0.000000 8.282796 0.000000\n0.000000 0.000000 11.583927\nMg Si H O\n14 8 4 32\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.045819 0.750000 Mg\n0.000000 0.954181 0.250000 Mg\n0.253801 0.748312 0.613810 Mg\n0.253801 0.251688 0.386190 Mg\n0.253801 0.748312 0.886190 Mg\n0.253801 0.251688 0.113810 Mg\n0.746199 0.251688 0.386190 Mg\n0.746199 0.748312 0.613810 Mg\n0.746199 0.251688 0.113810 Mg\n0.746199 0.748312 0.886190 Mg\n0.000000 0.391936 0.618988 Si\n0.000000 0.608064 0.381012 Si\n0.000000 0.391936 0.881012 Si\n0.000000 0.608064 0.118988 Si\n0.500000 0.887970 0.124060 Si\n0.500000 0.112030 0.875940 Si\n0.500000 0.887970 0.375940 Si\n0.500000 0.112030 0.624060 Si\n0.000000 0.643657 0.750000 H\n0.000000 0.356343 0.250000 H\n0.500000 0.403289 0.250000 H\n0.500000 0.596711 0.750000 H\n0.000000 0.762940 0.750000 O\n0.000000 0.237060 0.250000 O\n0.500000 0.284034 0.250000 O\n0.500000 0.715966 0.750000 O\n0.000000 0.291636 0.750000 O\n0.000000 0.708364 0.250000 O\n0.500000 0.794564 0.250000 O\n0.500000 0.205436 0.750000 O\n0.000000 0.751323 0.484219 O\n0.000000 0.248677 0.515781 O\n0.000000 0.751323 0.015781 O\n0.000000 0.248677 0.984219 O\n0.500000 0.239208 0.986448 O\n0.500000 0.760792 0.013552 O\n0.500000 0.239208 0.513552 O\n0.500000 0.760792 0.486448 O\n0.260422 0.999199 0.624628 O\n0.260422 0.000801 0.375372 O\n0.260422 0.999199 0.875372 O\n0.260422 0.000801 0.124628 O\n0.739578 0.000801 0.375372 O\n0.739578 0.999199 0.624628 O\n0.739578 0.000801 0.124628 O\n0.739578 0.999199 0.875372 O\n0.771025 0.494767 0.117034 O\n0.771025 0.505233 0.882966 O\n0.771025 0.494767 0.382966 O\n0.771025 0.505233 0.617034 O\n0.228975 0.505233 0.882966 O\n0.228975 0.494767 0.117034 O\n0.228975 0.505233 0.617034 O\n0.228975 0.494767 0.382966 O\n",
"nsites": 58,
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"elements": [
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"density_atomic": 0.10371424630268437,
"volume": 559.2288626456404,
"volume_molar": 5.806474013632333,
"formula_full": "Mg14 Si8 H4 O32",
"formula_reduced": "Mg7Si4(HO8)2",
"formula_anonymous": "A2B4C7D16",
"energy": -407.82007225,
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"updated_at": "2021-11-28T01:35:44.100000Z",
"spacegroup": 51
},
{
"id": "mp-505130",
"created_at": "2022-09-04T14:42:26.218986Z",
"structure_string": "Cs2 Re2 O8\n1.0\n-3.032200 3.032200 7.518715\n3.032200 -3.032200 7.518715\n3.032200 3.032200 -7.518715\nCs Re O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Cs\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.000000 Re\n0.250000 0.750000 0.500000 Re\n0.079067 0.816735 0.262332 O\n0.566735 0.804404 0.237668 O\n0.566735 0.329067 0.762332 O\n0.670933 0.433265 0.237668 O\n0.195596 0.433265 0.762332 O\n0.183265 0.445596 0.262332 O\n0.183265 0.920933 0.737668 O\n0.554404 0.816735 0.737668 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Cs-O-Re",
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"volume": 276.5153857698424,
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"formula_full": "Cs2 Re2 O8",
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"updated_at": "2021-11-28T01:35:50.386000Z",
"spacegroup": 141
},
{
"id": "mp-1207421",
"created_at": "2022-09-04T14:42:23.718851Z",
"structure_string": "Zr12 Zn8\n1.0\n7.683103 0.000000 0.000000\n0.000000 7.683103 0.000000\n0.000000 0.000000 6.734031\nZr Zn\n12 8\ndirect\n0.500000 0.000000 0.250000 Zr\n0.500000 0.000000 0.750000 Zr\n0.000000 0.500000 0.250000 Zr\n0.000000 0.500000 0.750000 Zr\n0.700951 0.299049 0.000000 Zr\n0.299049 0.700951 0.000000 Zr\n0.799049 0.799049 0.500000 Zr\n0.200951 0.200951 0.500000 Zr\n0.155725 0.155725 0.000000 Zr\n0.844275 0.844275 0.000000 Zr\n0.655725 0.344275 0.500000 Zr\n0.344275 0.655725 0.500000 Zr\n0.380053 0.380053 0.201917 Zn\n0.619947 0.619947 0.798083 Zn\n0.619947 0.619947 0.201917 Zn\n0.880053 0.119947 0.701917 Zn\n0.880053 0.119947 0.298083 Zn\n0.380053 0.380053 0.798083 Zn\n0.119947 0.880053 0.298083 Zn\n0.119947 0.880053 0.701917 Zn\n",
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"elements": [
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],
"chemical_system": "Zn-Zr",
"density": 6.758782266488307,
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"volume": 397.51033281799596,
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"formula_full": "Zr12 Zn8",
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{
"id": "mp-14235",
"created_at": "2022-09-04T14:42:26.003562Z",
"structure_string": "Sr4 Ga8 Si8 O32\n1.0\n9.617659 0.000000 0.000000\n0.000000 8.504310 0.000000\n0.000000 0.109001 9.134958\nSr Ga Si O\n4 8 8 32\ndirect\n0.085435 0.748536 0.389006 Sr\n0.585435 0.251464 0.110994 Sr\n0.914565 0.251464 0.610994 Sr\n0.414565 0.748536 0.889006 Sr\n0.309500 0.426931 0.554421 Ga\n0.809500 0.573069 0.945579 Ga\n0.690500 0.573069 0.445579 Ga\n0.190500 0.426931 0.054421 Ga\n0.075959 0.930077 0.774070 Ga\n0.575959 0.069923 0.725930 Ga\n0.924041 0.069923 0.225930 Ga\n0.424041 0.930077 0.274070 Ga\n0.582624 0.440261 0.741901 Si\n0.082624 0.559739 0.758099 Si\n0.417376 0.559739 0.258099 Si\n0.917376 0.440261 0.241901 Si\n0.798640 0.945787 0.937033 Si\n0.298640 0.054213 0.562967 Si\n0.201360 0.054213 0.062967 Si\n0.701360 0.945787 0.437033 Si\n0.575781 0.263683 0.818288 O\n0.075781 0.736317 0.681712 O\n0.424219 0.736317 0.181712 O\n0.924219 0.263683 0.318288 O\n0.353832 0.225592 0.507146 O\n0.853832 0.774408 0.992854 O\n0.646168 0.774408 0.492854 O\n0.146168 0.225592 0.007146 O\n0.305849 0.563503 0.393792 O\n0.805849 0.436497 0.106208 O\n0.694151 0.436497 0.606208 O\n0.194151 0.563503 0.893792 O\n0.301012 0.926953 0.428191 O\n0.801012 0.073047 0.071809 O\n0.698988 0.073047 0.571809 O\n0.198988 0.926953 0.928191 O\n0.128362 0.440916 0.624956 O\n0.628362 0.559084 0.875044 O\n0.871638 0.559084 0.375044 O\n0.371638 0.440916 0.124956 O\n0.097327 0.984347 0.193038 O\n0.597327 0.015653 0.306962 O\n0.902673 0.015653 0.806962 O\n0.402673 0.984347 0.693038 O\n0.068086 0.511428 0.190017 O\n0.568086 0.488572 0.309983 O\n0.931914 0.488572 0.809983 O\n0.431914 0.511428 0.690017 O\n0.363636 0.061617 0.121667 O\n0.863636 0.938383 0.378333 O\n0.636364 0.938383 0.878333 O\n0.136364 0.061617 0.621667 O\n",
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"formula_full": "Sr4 Ga8 Si8 O32",
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{
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"structure_string": "Na10 Zr4 Mn2 F30\n1.0\n3.902471 -10.753003 0.000000\n3.902471 10.753003 0.000000\n0.000000 0.000000 7.604098\nNa Zr Mn F\n10 4 2 30\ndirect\n0.241517 0.758483 0.000000 Na\n0.241517 0.758483 0.500000 Na\n0.758483 0.241517 0.000000 Na\n0.758483 0.241517 0.500000 Na\n0.631386 0.877610 0.250000 Na\n0.122390 0.368614 0.750000 Na\n0.368614 0.122390 0.750000 Na\n0.877610 0.631386 0.250000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.413764 0.143257 0.250000 Zr\n0.856743 0.586236 0.750000 Zr\n0.586236 0.856743 0.750000 Zr\n0.143257 0.413764 0.250000 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.317813 0.706641 0.750000 F\n0.293359 0.682187 0.250000 F\n0.682187 0.293359 0.250000 F\n0.706641 0.317813 0.750000 F\n0.443533 0.077302 0.485738 F\n0.922698 0.556467 0.514262 F\n0.443533 0.077302 0.014262 F\n0.922698 0.556467 0.985738 F\n0.556467 0.922698 0.514262 F\n0.077302 0.443533 0.485738 F\n0.556467 0.922698 0.985738 F\n0.077302 0.443533 0.014262 F\n0.582268 0.436453 0.750000 F\n0.563547 0.417732 0.250000 F\n0.417732 0.563547 0.250000 F\n0.436453 0.582268 0.750000 F\n0.813879 0.139309 0.750000 F\n0.860691 0.186121 0.250000 F\n0.186121 0.860691 0.250000 F\n0.139309 0.813879 0.750000 F\n0.110481 0.110481 0.750000 F\n0.889519 0.889519 0.250000 F\n0.733425 0.865745 0.935112 F\n0.134255 0.266575 0.064888 F\n0.733425 0.865745 0.564888 F\n0.134255 0.266575 0.435112 F\n0.266575 0.134255 0.064888 F\n0.865745 0.733425 0.935112 F\n0.266575 0.134255 0.435112 F\n0.865745 0.733425 0.564888 F\n",
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{
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"structure_string": "U1 O11\n1.0\n-4.894041 0.001060 2.463763\n5.213354 0.232349 4.645507\n-0.611899 7.838992 -2.715039\nU O\n1 11\ndirect\n0.023547 0.020429 0.021797 U\n0.617353 0.998589 0.962059 O\n0.394755 0.988240 0.026550 O\n0.006014 0.163721 0.794099 O\n0.261141 0.245164 0.867913 O\n0.993780 0.798378 0.193620 O\n0.747778 0.729429 0.108475 O\n0.110100 0.627621 0.687272 O\n0.797997 0.458959 0.368177 O\n0.081904 0.238680 0.212923 O\n0.947824 0.678913 0.762984 O\n0.595806 0.334877 0.401130 O\n",
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{
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"elements": [
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],
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"volume_molar": 9.214244685012785,
"formula_full": "Sr3 Ca1 Zr16 P24 O96",
"formula_reduced": "Sr3CaZr16(PO4)24",
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"updated_at": "2021-11-28T01:35:48.266000Z",
"spacegroup": 148
},
{
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"structure_string": "V10 B6\n1.0\n5.643378 0.000000 0.000000\n0.000000 5.643378 0.000000\n-2.821689 -2.821689 5.184689\nV B\n10 6\ndirect\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.031275 0.531275 0.714364 V\n0.683088 0.183088 0.714364 V\n0.183088 0.031275 0.714364 V\n0.531275 0.683088 0.714364 V\n0.968725 0.468725 0.285636 V\n0.316912 0.816912 0.285636 V\n0.816912 0.968725 0.285636 V\n0.468725 0.316912 0.285636 V\n0.250000 0.250000 0.500000 B\n0.750000 0.750000 0.500000 B\n0.613515 0.113515 0.000000 B\n0.386485 0.886485 0.000000 B\n0.886485 0.613515 0.000000 B\n0.113515 0.386485 0.000000 B\n",
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"formula_full": "V10 B6",
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},
{
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"created_at": "2022-09-04T14:42:37.692373Z",
"structure_string": "K2 Rb1 Mn1 F6\n1.0\n6.470969 0.000000 0.000000\n3.235485 5.604024 0.000000\n3.235485 1.868008 5.283524\nK Rb Mn F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Mn\n0.213599 0.786401 0.213599 F\n0.786401 0.786401 0.213599 F\n0.786401 0.213599 0.786401 F\n0.786401 0.213599 0.213599 F\n0.213599 0.786401 0.786401 F\n0.213599 0.213599 0.786401 F\n",
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"formula_full": "K2 Rb1 Mn1 F6",
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{
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"structure_string": "Ca4 Mn2 Al2 O10\n1.0\n5.083947 0.000000 -1.669100\n-0.599995 5.277162 -1.827537\n-0.067348 -0.097179 8.372063\nCa Mn Al O\n4 2 2 10\ndirect\n0.122118 0.641693 0.223332 Ca\n0.398741 0.918354 0.776667 Ca\n0.898786 0.358307 0.776668 Ca\n0.622074 0.081646 0.223333 Ca\n0.498999 0.500000 0.000000 Mn\n0.998982 0.000000 0.000000 Mn\n0.287193 0.323235 0.500011 Al\n0.787182 0.676765 0.499989 Al\n0.619634 0.395399 0.500005 O\n0.119630 0.604601 0.499995 O\n0.614458 0.721760 0.297166 O\n0.317293 0.278240 0.702835 O\n0.114478 0.075425 0.297190 O\n0.817287 0.924575 0.702810 O\n0.236270 0.739237 0.970875 O\n0.265396 0.260763 0.029125 O\n0.765426 0.268392 0.029174 O\n0.736253 0.731608 0.970826 O\n",
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}
]
}