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{
"id": "mp-1182681",
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{
"id": "mp-1221581",
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"spacegroup": 156
},
{
"id": "mp-1178275",
"created_at": "2022-09-04T14:41:01.674983Z",
"structure_string": "Fe10 O16 F4\n1.0\n3.281457 3.279829 0.000000\n-3.281457 3.279829 0.000000\n0.000000 0.065681 15.143057\nFe O F\n10 16 4\ndirect\n0.004345 0.989494 0.705241 Fe\n0.023632 0.020461 0.901095 Fe\n0.979539 0.976368 0.098905 Fe\n0.010506 0.995655 0.294759 Fe\n0.016118 0.983882 0.500000 Fe\n0.494974 0.489263 0.794782 Fe\n0.510737 0.505026 0.205218 Fe\n0.501582 0.498418 0.000000 Fe\n0.484999 0.517528 0.400777 Fe\n0.482472 0.515001 0.599223 Fe\n0.203848 0.806988 0.804413 O\n0.195480 0.804520 0.000000 O\n0.193012 0.796152 0.195587 O\n0.187968 0.819002 0.396571 O\n0.180998 0.812032 0.603429 O\n0.690324 0.691464 0.697820 O\n0.682602 0.675681 0.099662 O\n0.697090 0.698854 0.304492 O\n0.687263 0.697826 0.500161 O\n0.301146 0.302910 0.695508 O\n0.324319 0.317398 0.900338 O\n0.308536 0.309676 0.302180 O\n0.302174 0.312737 0.499839 O\n0.814320 0.193138 0.801176 O\n0.806862 0.185680 0.198824 O\n0.808273 0.191727 0.000000 O\n0.707100 0.701194 0.898802 F\n0.298806 0.292900 0.101198 F\n0.798368 0.197392 0.598623 F\n0.802608 0.201632 0.401377 F\n",
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"formula_full": "Fe10 O16 F4",
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{
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"structure_string": "Rb6 Ni6 F18\n1.0\n2.965907 -5.137101 0.000000\n2.965907 5.137101 0.000000\n0.000000 0.000000 14.512409\nRb Ni F\n6 6 18\ndirect\n0.333333 0.666667 0.407095 Rb\n0.666667 0.333333 0.907095 Rb\n0.666667 0.333333 0.592905 Rb\n0.333333 0.666667 0.092905 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.655321 Ni\n0.666667 0.333333 0.155321 Ni\n0.666667 0.333333 0.344679 Ni\n0.333333 0.666667 0.844679 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.834490 0.165510 0.419916 F\n0.834490 0.668979 0.419916 F\n0.331021 0.165510 0.419916 F\n0.668979 0.834490 0.919916 F\n0.165510 0.331021 0.580084 F\n0.165510 0.834490 0.919916 F\n0.165510 0.331021 0.919916 F\n0.834490 0.165510 0.080084 F\n0.331021 0.165510 0.080084 F\n0.668979 0.834490 0.580084 F\n0.165510 0.834490 0.580084 F\n0.834490 0.668979 0.080084 F\n0.518304 0.036609 0.250000 F\n0.481696 0.518304 0.750000 F\n0.036609 0.518304 0.750000 F\n0.963391 0.481696 0.250000 F\n0.518304 0.481696 0.250000 F\n0.481696 0.963391 0.750000 F\n",
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"formula_full": "Rb6 Ni6 F18",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:34:57.614000Z",
"spacegroup": 194
},
{
"id": "mp-1111955",
"created_at": "2022-09-04T14:40:59.690389Z",
"structure_string": "K2 Mn1 Hg1 F6\n1.0\n6.248591 0.000000 0.000000\n3.124296 5.411439 0.000000\n3.124296 1.803813 5.101954\nK Mn Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Hg\n0.233673 0.766327 0.233673 F\n0.766327 0.766327 0.233673 F\n0.766327 0.233673 0.766327 F\n0.766327 0.233673 0.233673 F\n0.233673 0.766327 0.766327 F\n0.233673 0.233673 0.766327 F\n",
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"formula_full": "K2 Mn1 Hg1 F6",
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"spacegroup": 225
},
{
"id": "mp-1017556",
"created_at": "2022-09-04T14:41:06.380937Z",
"structure_string": "Cu1 Ni3 N1\n1.0\n3.729889 0.000000 0.000000\n0.000000 3.729889 0.000000\n0.000000 0.000000 3.729889\nCu Ni N\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 N\n",
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"density": 8.116465783420484,
"density_atomic": 0.09635678068257943,
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"formula_full": "Cu1 Ni3 N1",
"formula_reduced": "CuNi3N",
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},
{
"id": "mp-1182243",
"created_at": "2022-09-04T14:40:57.131421Z",
"structure_string": "Ba2 Eu4 Pd2 O10\n1.0\n6.778683 0.000000 0.000000\n0.000000 6.778683 0.000000\n0.000000 0.000000 5.930511\nBa Eu Pd O\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.324532 0.175468 0.500000 Eu\n0.675468 0.824532 0.500000 Eu\n0.824532 0.324532 0.500000 Eu\n0.175468 0.675468 0.500000 Eu\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.140089 0.359911 0.750229 O\n0.640089 0.140089 0.249771 O\n0.859911 0.640089 0.750229 O\n0.140089 0.359911 0.249771 O\n0.500000 0.500000 0.500000 O\n0.359911 0.859911 0.750229 O\n0.640089 0.140089 0.750229 O\n0.859911 0.640089 0.249771 O\n0.359911 0.859911 0.249771 O\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "Ba2 Eu4 Pd2 O10",
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{
"id": "mp-1191616",
"created_at": "2022-09-04T14:41:01.609585Z",
"structure_string": "Mn4 Se4 O16\n1.0\n13.376922 0.000000 0.000000\n0.000000 4.961118 0.000000\n0.000000 4.976725 5.752755\nMn Se O\n4 4 16\ndirect\n0.767914 0.158747 0.241933 Mn\n0.732086 0.158747 0.741933 Mn\n0.232086 0.841253 0.758067 Mn\n0.267914 0.841253 0.258067 Mn\n0.891817 0.668959 0.775468 Se\n0.608183 0.668959 0.275468 Se\n0.108183 0.331041 0.224532 Se\n0.391817 0.331041 0.724532 Se\n0.887067 0.014866 0.192471 O\n0.612933 0.014866 0.692471 O\n0.112933 0.985134 0.807529 O\n0.387067 0.985134 0.307529 O\n0.838810 0.053691 0.527967 O\n0.661190 0.053691 0.027967 O\n0.161190 0.946309 0.472033 O\n0.338810 0.946309 0.972033 O\n0.801508 0.653945 0.954932 O\n0.698492 0.653945 0.454932 O\n0.198492 0.346055 0.045068 O\n0.301508 0.346055 0.545068 O\n0.856863 0.334592 0.777231 O\n0.643137 0.334592 0.277231 O\n0.143137 0.665408 0.222769 O\n0.356863 0.665408 0.722769 O\n",
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"formula_full": "Mn4 Se4 O16",
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"spacegroup": 14
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{
"id": "mp-1280914",
"created_at": "2022-09-04T14:41:07.758697Z",
"structure_string": "Mn4 Sb4 O16\n1.0\n5.654302 0.211345 -0.000293\n-0.000292 0.000092 5.645752\n0.325987 -9.794222 -0.000169\nMn Sb O\n4 4 16\ndirect\n0.475808 0.999761 0.508095 Mn\n0.774128 0.499676 0.741919 Mn\n0.975758 0.999730 0.008140 Mn\n0.274256 0.499793 0.241826 Mn\n0.495207 0.250301 0.995084 Sb\n0.995366 0.250412 0.495089 Sb\n0.754895 0.750360 0.254946 Sb\n0.254651 0.750384 0.754891 Sb\n0.199714 0.273383 0.099835 O\n0.699882 0.273236 0.599907 O\n0.451606 0.725542 0.350048 O\n0.951414 0.725668 0.850134 O\n0.798452 0.225593 0.899985 O\n0.298595 0.225683 0.399868 O\n0.050300 0.773465 0.150167 O\n0.550060 0.773313 0.650094 O\n0.297611 0.999666 0.901458 O\n0.797741 0.999608 0.401456 O\n0.574817 0.501352 0.140483 O\n0.074637 0.501280 0.640673 O\n0.452229 0.499555 0.848555 O\n0.952445 0.499677 0.348517 O\n0.675202 0.001296 0.109495 O\n0.175225 0.001266 0.609335 O\n",
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"formula_full": "Mn4 Sb4 O16",
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{
"id": "mp-1182045",
"created_at": "2022-09-04T14:40:57.159883Z",
"structure_string": "Co2 H20 Se4 O20\n1.0\n4.393812 6.708915 0.000000\n-4.393812 6.708915 0.000000\n0.000000 5.744093 9.112291\nCo H Se O\n2 20 4 20\ndirect\n0.074914 0.925086 0.250000 Co\n0.925086 0.074914 0.750000 Co\n0.280919 0.259939 0.031258 H\n0.740061 0.719081 0.468742 H\n0.719081 0.740061 0.968742 H\n0.259939 0.280919 0.531258 H\n0.591972 0.301579 0.415590 H\n0.698421 0.408028 0.084410 H\n0.408028 0.698421 0.584410 H\n0.301579 0.591972 0.915590 H\n0.336937 0.569060 0.337235 H\n0.430940 0.663063 0.162765 H\n0.663063 0.430940 0.662765 H\n0.569060 0.336937 0.837235 H\n0.292654 0.292790 0.295721 H\n0.707210 0.707346 0.204279 H\n0.707346 0.707210 0.704279 H\n0.292790 0.292654 0.795721 H\n0.311726 0.401810 0.588801 H\n0.598190 0.688274 0.911199 H\n0.688274 0.598190 0.411199 H\n0.401810 0.311726 0.088801 H\n0.898032 0.767194 0.623039 Se\n0.232806 0.101968 0.876961 Se\n0.101968 0.232806 0.376961 Se\n0.767194 0.898032 0.123039 Se\n0.980957 0.813465 0.158482 O\n0.186535 0.019043 0.341518 O\n0.019043 0.186535 0.841518 O\n0.813465 0.980957 0.658482 O\n0.884124 0.819044 0.451869 O\n0.180956 0.115876 0.048131 O\n0.115876 0.180956 0.548131 O\n0.819044 0.884124 0.951869 O\n0.286281 0.661985 0.661184 O\n0.338015 0.713719 0.838816 O\n0.713719 0.338015 0.338816 O\n0.661985 0.286281 0.161184 O\n0.782714 0.217286 0.250000 O\n0.217286 0.782714 0.750000 O\n0.318947 0.681053 0.250000 O\n0.681053 0.318947 0.750000 O\n0.353411 0.357204 0.506130 O\n0.642796 0.646589 0.993870 O\n0.646589 0.642796 0.493870 O\n0.357204 0.353411 0.006130 O\n",
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"formula_full": "Co2 H20 Se4 O20",
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{
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"structure_string": "Li4 Fe4 Si12 O32\n1.0\n3.915886 6.724822 -0.085771\n-3.915886 6.724822 0.085771\n-6.455609 0.000000 13.057257\nLi Fe Si O\n4 4 12 32\ndirect\n0.298760 0.751589 0.621964 Li\n0.751589 0.298760 0.878036 Li\n0.248411 0.701240 0.121964 Li\n0.701240 0.248411 0.378036 Li\n0.240665 0.554684 0.833004 Fe\n0.445316 0.759335 0.333004 Fe\n0.554684 0.240665 0.666996 Fe\n0.759335 0.445316 0.166996 Fe\n0.456446 0.795562 0.836378 Si\n0.829247 0.863869 0.894262 Si\n0.165860 0.178019 0.886614 Si\n0.178019 0.165860 0.613386 Si\n0.863869 0.829247 0.605738 Si\n0.204438 0.543554 0.336378 Si\n0.795562 0.456446 0.663622 Si\n0.821981 0.834140 0.386614 Si\n0.136131 0.170753 0.394262 Si\n0.170753 0.136131 0.105738 Si\n0.834140 0.821981 0.113386 Si\n0.543554 0.204438 0.163622 Si\n0.048696 0.716731 0.881728 O\n0.290034 0.942585 0.880484 O\n0.119722 0.689309 0.684169 O\n0.342238 0.918510 0.708118 O\n0.494027 0.560702 0.865277 O\n0.303839 0.276700 0.884085 O\n0.685928 0.764963 0.879651 O\n0.057415 0.709966 0.380484 O\n0.283269 0.951304 0.381728 O\n0.764963 0.685928 0.620349 O\n0.276700 0.303839 0.615915 O\n0.310691 0.880278 0.184169 O\n0.081490 0.657762 0.208118 O\n0.560702 0.494027 0.634723 O\n0.148729 0.100116 0.513938 O\n0.851271 0.899884 0.486062 O\n0.439298 0.505973 0.365277 O\n0.689309 0.119722 0.815831 O\n0.918510 0.342238 0.791882 O\n0.235037 0.314072 0.379651 O\n0.723300 0.696161 0.384085 O\n0.716731 0.048696 0.618272 O\n0.942585 0.290034 0.619516 O\n0.696161 0.723300 0.115915 O\n0.314072 0.235037 0.120349 O\n0.505973 0.439298 0.134723 O\n0.100116 0.148729 0.986062 O\n0.899884 0.851271 0.013938 O\n0.880278 0.310691 0.315831 O\n0.657762 0.081490 0.291882 O\n0.709966 0.057415 0.119516 O\n0.951304 0.283269 0.118272 O\n",
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{
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"structure_string": "Zn4 Cr4 Bi4 O20\n1.0\n5.386697 0.038002 0.000000\n-2.235067 7.423856 0.000000\n0.000000 0.000000 11.703921\nZn Cr Bi O\n4 4 4 20\ndirect\n0.617005 0.171352 0.918199 Zn\n0.382995 0.828648 0.081801 Zn\n0.882995 0.328648 0.418199 Zn\n0.117005 0.671352 0.581801 Zn\n0.783542 0.968663 0.644038 Cr\n0.216458 0.031337 0.355962 Cr\n0.716458 0.531337 0.144038 Cr\n0.283542 0.468663 0.855962 Cr\n0.111296 0.169790 0.103686 Bi\n0.888704 0.830210 0.896314 Bi\n0.611296 0.669790 0.396314 Bi\n0.388704 0.330210 0.603686 Bi\n0.563927 0.333171 0.077457 O\n0.028871 0.330319 0.926812 O\n0.495932 0.650555 0.178983 O\n0.754959 0.511143 0.524079 O\n0.792223 0.490258 0.286795 O\n0.292223 0.990258 0.213205 O\n0.528871 0.830319 0.573188 O\n0.471129 0.169681 0.426812 O\n0.245041 0.488857 0.475921 O\n0.936073 0.166829 0.577457 O\n0.207777 0.509742 0.713205 O\n0.436073 0.666829 0.922543 O\n0.063927 0.833171 0.422543 O\n0.707777 0.009742 0.786795 O\n0.745041 0.988857 0.024079 O\n0.254959 0.011143 0.975921 O\n0.504068 0.349445 0.821017 O\n0.971129 0.669681 0.073188 O\n0.004068 0.849445 0.678983 O\n0.995932 0.150555 0.321017 O\n",
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],
"chemical_system": "Bi-Cr-O-Zn",
"density": 5.754918469291877,
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]
}