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{
"id": "mp-1021393",
"created_at": "2022-09-04T14:40:16.207048Z",
"structure_string": "K1 Mg6 Mo1\n1.0\n6.583543 0.000000 0.000000\n0.000000 6.583543 0.000000\n0.000000 0.000000 4.363796\nK Mg Mo\n1 6 1\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.214647 0.785353 0.000000 Mg\n0.785353 0.214647 0.000000 Mg\n0.214647 0.214647 0.000000 Mg\n0.785353 0.785353 0.000000 Mg\n0.000000 0.000000 0.500000 Mo\n",
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{
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"structure_string": "Nb8 Zn4 O24\n1.0\n5.090563 0.000000 0.000000\n0.000000 5.850563 0.000000\n0.000000 0.000000 14.412160\nNb Zn O\n8 4 24\ndirect\n0.746545 0.682933 0.660158 Nb\n0.246545 0.817067 0.839842 Nb\n0.753455 0.682933 0.339842 Nb\n0.253455 0.817067 0.160158 Nb\n0.746545 0.182933 0.839842 Nb\n0.246545 0.317067 0.660158 Nb\n0.753455 0.182933 0.160158 Nb\n0.253455 0.317067 0.339842 Nb\n0.750000 0.671055 0.000000 Zn\n0.250000 0.828945 0.500000 Zn\n0.250000 0.328945 0.000000 Zn\n0.750000 0.171055 0.500000 Zn\n0.918009 0.375105 0.744807 O\n0.418009 0.124895 0.755193 O\n0.581991 0.375105 0.255193 O\n0.081991 0.124895 0.244807 O\n0.081991 0.624895 0.255193 O\n0.581991 0.875105 0.244807 O\n0.418009 0.624895 0.744807 O\n0.918009 0.875105 0.755193 O\n0.913056 0.381459 0.079113 O\n0.413056 0.118541 0.420887 O\n0.586944 0.381459 0.920887 O\n0.086944 0.118541 0.579113 O\n0.928520 0.894773 0.096320 O\n0.428520 0.605227 0.403680 O\n0.571480 0.894773 0.903680 O\n0.071480 0.605227 0.596320 O\n0.071480 0.105227 0.903680 O\n0.571480 0.394773 0.596320 O\n0.428520 0.105227 0.096320 O\n0.928520 0.394773 0.403680 O\n0.913056 0.881459 0.420887 O\n0.413056 0.618541 0.079113 O\n0.586944 0.881459 0.579113 O\n0.086944 0.618541 0.920887 O\n",
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"formula_full": "Nb8 Zn4 O24",
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},
{
"id": "mp-1100350",
"created_at": "2022-09-04T14:40:16.211547Z",
"structure_string": "Ca6 Sn4 S14\n1.0\n-1.829412 6.557171 0.000000\n0.000000 0.000000 -7.200837\n-12.175940 0.136768 0.000000\nCa Sn S\n6 4 14\ndirect\n0.717751 0.403333 0.000000 Ca\n0.282249 0.903333 0.000000 Ca\n0.444374 0.088786 0.624433 Ca\n0.068807 0.088786 0.375567 Ca\n0.555626 0.588786 0.375567 Ca\n0.931193 0.588786 0.624433 Ca\n0.850121 0.004202 0.792326 Sn\n0.642447 0.004202 0.207674 Sn\n0.149879 0.504202 0.207674 Sn\n0.357553 0.504202 0.792326 Sn\n0.115143 0.541859 0.000000 S\n0.884857 0.041859 0.000000 S\n0.571397 0.455555 0.590245 S\n0.161643 0.455555 0.409755 S\n0.428603 0.955555 0.409755 S\n0.838357 0.955555 0.590245 S\n0.509765 0.185803 0.850710 S\n0.360475 0.185803 0.149290 S\n0.490235 0.685803 0.149290 S\n0.639525 0.685803 0.850710 S\n0.077291 0.297258 0.736196 S\n0.813488 0.297258 0.263804 S\n0.922709 0.797258 0.263804 S\n0.186512 0.797258 0.736196 S\n",
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"formula_full": "Ca6 Sn4 S14",
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{
"id": "mp-1221906",
"created_at": "2022-09-04T14:40:16.215858Z",
"structure_string": "Mn4 As4 O14\n1.0\n-0.008166 -0.002759 -4.902379\n-10.002802 -4.468261 2.277161\n-3.333689 4.468632 0.762429\nMn As O\n4 4 14\ndirect\n0.498388 0.847673 0.459012 Mn\n0.501266 0.154885 0.532787 Mn\n0.498448 0.347695 0.959167 Mn\n0.501200 0.654920 0.032675 Mn\n0.907857 0.113074 0.117343 As\n0.907800 0.613068 0.617329 As\n0.100254 0.382928 0.388574 As\n0.100254 0.882957 0.888430 As\n0.712040 0.039731 0.358478 O\n0.712039 0.539728 0.858488 O\n0.717172 0.190548 0.875069 O\n0.717134 0.690535 0.375029 O\n0.287143 0.465687 0.148543 O\n0.287288 0.965711 0.648438 O\n0.292506 0.297549 0.621472 O\n0.292444 0.797528 0.121287 O\n0.217699 0.203444 0.196497 O\n0.217647 0.703486 0.696319 O\n0.775175 0.307810 0.302121 O\n0.775169 0.807820 0.802050 O\n0.036069 0.488703 0.555157 O\n0.036211 0.988720 0.055134 O\n",
"nsites": 22,
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"elements": [
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"density": 4.223870021538905,
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"formula_full": "Mn4 As4 O14",
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"energy": -166.43165159,
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"updated_at": "2021-11-28T01:34:52.124000Z",
"spacegroup": 1
},
{
"id": "mp-1217841",
"created_at": "2022-09-04T14:40:16.224307Z",
"structure_string": "Tb2 Cu6 Se6\n1.0\n6.901104 -3.497989 0.000000\n6.901104 3.497989 0.000000\n5.128064 0.000000 5.793455\nTb Cu Se\n2 6 6\ndirect\n0.833588 0.833588 0.833588 Tb\n0.166412 0.166412 0.166412 Tb\n0.721260 0.374826 0.032028 Cu\n0.032028 0.721260 0.374826 Cu\n0.374826 0.032028 0.721260 Cu\n0.625174 0.967972 0.278740 Cu\n0.967972 0.278740 0.625174 Cu\n0.278740 0.625174 0.967972 Cu\n0.255676 0.911225 0.581897 Se\n0.911225 0.581897 0.255676 Se\n0.581897 0.255676 0.911225 Se\n0.418103 0.744324 0.088775 Se\n0.088775 0.418103 0.744324 Se\n0.744324 0.088775 0.418103 Se\n",
"nsites": 14,
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"volume": 279.70784379116225,
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"formula_full": "Tb2 Cu6 Se6",
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},
{
"id": "mp-1409490",
"created_at": "2022-09-04T14:40:16.228690Z",
"structure_string": "Li3 Mn2 Ni2 O8\n1.0\n5.759337 0.000000 0.000000\n-2.871276 5.097760 0.000000\n-0.003790 -3.297314 4.845755\nLi Mn Ni O\n3 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.710033 0.242236 0.210949 O\n0.745227 0.220988 0.776026 O\n0.753238 0.783325 0.227893 O\n0.243697 0.244598 0.217370 O\n0.756303 0.755402 0.782630 O\n0.246762 0.216675 0.772107 O\n0.254773 0.779012 0.223974 O\n0.289967 0.757764 0.789051 O\n",
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"formula_full": "Li3 Mn2 Ni2 O8",
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{
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"structure_string": "Sr2 Be26\n1.0\n0.000000 5.195941 5.195941\n5.195941 0.000000 5.195941\n5.195941 5.195941 0.000000\nSr Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.565240 0.786100 0.434760 Be\n0.286100 0.065240 0.934760 Be\n0.065240 0.286100 0.713900 Be\n0.713900 0.065240 0.286100 Be\n0.286100 0.934760 0.713900 Be\n0.065240 0.934760 0.286100 Be\n0.713900 0.286100 0.934760 Be\n0.434760 0.565240 0.786100 Be\n0.786100 0.434760 0.565240 Be\n0.565240 0.213900 0.786100 Be\n0.565240 0.434760 0.213900 Be\n0.786100 0.213900 0.434760 Be\n0.213900 0.565240 0.434760 Be\n0.213900 0.786100 0.565240 Be\n0.434760 0.786100 0.213900 Be\n0.934760 0.286100 0.065240 Be\n0.934760 0.713900 0.286100 Be\n0.286100 0.713900 0.065240 Be\n0.934760 0.065240 0.713900 Be\n0.713900 0.934760 0.065240 Be\n0.065240 0.713900 0.934760 Be\n0.786100 0.565240 0.213900 Be\n0.434760 0.213900 0.565240 Be\n0.213900 0.434760 0.786100 Be\n",
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{
"id": "mp-865522",
"created_at": "2022-09-04T14:40:16.234188Z",
"structure_string": "Y1 Cd1 Au2\n1.0\n0.000000 3.499673 3.499673\n3.499673 0.000000 3.499673\n3.499673 3.499673 0.000000\nY Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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{
"id": "mp-1220683",
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"structure_string": "Nb2 Sn12 O2 F30\n1.0\n4.035747 9.686263 0.000000\n-4.035747 9.686263 0.000000\n0.000000 0.004119 11.066943\nNb Sn O F\n2 12 2 30\ndirect\n0.673904 0.331572 0.764059 Nb\n0.331572 0.673904 0.264059 Nb\n0.246426 0.454844 0.532929 Sn\n0.545249 0.753230 0.968625 Sn\n0.753230 0.545249 0.468625 Sn\n0.454844 0.246426 0.032929 Sn\n0.716098 0.870678 0.682969 Sn\n0.129881 0.282798 0.817483 Sn\n0.282798 0.129881 0.317483 Sn\n0.870678 0.716098 0.182969 Sn\n0.104666 0.743696 0.905206 Sn\n0.256770 0.893966 0.595431 Sn\n0.893966 0.256770 0.095431 Sn\n0.743696 0.104666 0.405206 Sn\n0.707876 0.360080 0.917017 O\n0.360080 0.707876 0.417017 O\n0.508893 0.807609 0.541219 F\n0.193612 0.491660 0.959595 F\n0.491660 0.193612 0.459595 F\n0.807609 0.508893 0.041219 F\n0.427114 0.436349 0.784898 F\n0.561677 0.571924 0.707095 F\n0.571924 0.561677 0.207095 F\n0.436349 0.427114 0.284898 F\n0.862462 0.609624 0.591842 F\n0.389771 0.138382 0.908390 F\n0.138382 0.389771 0.408390 F\n0.609624 0.862462 0.091842 F\n0.883425 0.849525 0.016798 F\n0.151373 0.115403 0.482511 F\n0.115403 0.151373 0.982511 F\n0.849525 0.883425 0.516798 F\n0.770591 0.089729 0.789685 F\n0.907739 0.228524 0.702596 F\n0.228524 0.907739 0.202596 F\n0.089729 0.770591 0.289685 F\n0.709965 0.726834 0.840196 F\n0.273455 0.289414 0.659851 F\n0.289414 0.273455 0.159851 F\n0.726834 0.709965 0.340196 F\n0.982829 0.709893 0.756354 F\n0.290434 0.017430 0.744434 F\n0.017430 0.290434 0.244434 F\n0.709893 0.982829 0.256354 F\n0.638696 0.293928 0.580816 F\n0.293928 0.638696 0.080816 F\n",
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{
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"structure_string": "K2 Li1 Al1 F6\n1.0\n0.000000 3.989333 3.989333\n3.989333 0.000000 3.989333\n3.989333 3.989333 0.000000\nK Li Al F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.768782 0.231218 0.231218 F\n0.231218 0.231218 0.768782 F\n0.231218 0.768782 0.768782 F\n0.231218 0.768782 0.231218 F\n0.768782 0.231218 0.768782 F\n0.768782 0.768782 0.231218 F\n",
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