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{
"id": "mp-1361722",
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{
"id": "mp-1038197",
"created_at": "2022-09-04T14:40:21.405174Z",
"structure_string": "Rb1 Mg30 Al1 O32\n1.0\n8.603298 0.000000 0.000000\n0.000000 8.603298 0.000000\n0.000000 0.000000 8.614000\nRb Mg Al O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248754 0.248754 0.000000 Mg\n0.248754 0.751246 0.000000 Mg\n0.751246 0.248754 0.000000 Mg\n0.751246 0.751246 0.000000 Mg\n0.251142 0.251142 0.500000 Mg\n0.251142 0.748858 0.500000 Mg\n0.748858 0.251142 0.500000 Mg\n0.748858 0.748858 0.500000 Mg\n0.000000 0.251337 0.250566 Mg\n0.000000 0.748663 0.250566 Mg\n0.500000 0.248453 0.253123 Mg\n0.500000 0.751547 0.253123 Mg\n0.000000 0.251337 0.749434 Mg\n0.000000 0.748663 0.749434 Mg\n0.500000 0.248453 0.746877 Mg\n0.500000 0.751547 0.746877 Mg\n0.251337 0.000000 0.250566 Mg\n0.248453 0.500000 0.253123 Mg\n0.748663 0.000000 0.250566 Mg\n0.751547 0.500000 0.253123 Mg\n0.251337 0.000000 0.749434 Mg\n0.248453 0.500000 0.746877 Mg\n0.748663 0.000000 0.749434 Mg\n0.751547 0.500000 0.746877 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.236608 O\n0.000000 0.500000 0.253420 O\n0.500000 0.000000 0.253420 O\n0.500000 0.500000 0.278696 O\n0.000000 0.000000 0.763392 O\n0.000000 0.500000 0.746580 O\n0.500000 0.000000 0.746580 O\n0.500000 0.500000 0.721304 O\n0.249842 0.249842 0.249073 O\n0.249842 0.750158 0.249073 O\n0.750158 0.249842 0.249073 O\n0.750158 0.750158 0.249073 O\n0.249842 0.249842 0.750927 O\n0.249842 0.750158 0.750927 O\n0.750158 0.249842 0.750927 O\n0.750158 0.750158 0.750927 O\n0.000000 0.229077 0.000000 O\n0.000000 0.770923 0.000000 O\n0.500000 0.219870 0.000000 O\n0.500000 0.780130 0.000000 O\n0.000000 0.245889 0.500000 O\n0.000000 0.754111 0.500000 O\n0.500000 0.243746 0.500000 O\n0.500000 0.756254 0.500000 O\n0.229077 0.000000 0.000000 O\n0.219870 0.500000 0.000000 O\n0.770923 0.000000 0.000000 O\n0.780130 0.500000 0.000000 O\n0.245889 0.000000 0.500000 O\n0.243746 0.500000 0.500000 O\n0.754111 0.000000 0.500000 O\n0.756254 0.500000 0.500000 O\n",
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"Al",
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],
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"formula_full": "Rb1 Mg30 Al1 O32",
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"energy": -400.06218216,
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"spacegroup": 123
},
{
"id": "mp-865380",
"created_at": "2022-09-04T14:40:29.103232Z",
"structure_string": "Tm2 Pd1 Pt1\n1.0\n0.000000 3.452325 3.452325\n3.452325 0.000000 3.452325\n3.452325 3.452325 0.000000\nTm Pd Pt\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Tm\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"formula_full": "Tm2 Pd1 Pt1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:59.094000Z",
"spacegroup": 225
},
{
"id": "mp-1208199",
"created_at": "2022-09-04T14:40:30.303557Z",
"structure_string": "Ti1 C3\n1.0\n-1.305831 -2.261765 0.000000\n-3.399925 3.470791 0.000000\n0.000000 0.000000 -4.082237\nTi C\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.000000 0.500000 0.000000 C\n",
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"volume": 49.89350006067001,
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"formula_full": "Ti1 C3",
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"spacegroup": 65
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{
"id": "mp-1246226",
"created_at": "2022-09-04T14:40:30.380027Z",
"structure_string": "Ti2 Sn8 N8\n1.0\n6.425346 1.145490 -0.121895\n3.491242 6.970859 0.125266\n1.911111 3.244318 8.355943\nTi Sn N\n2 8 8\ndirect\n0.749261 0.800669 0.750331 Ti\n0.250739 0.199331 0.249669 Ti\n0.749924 0.625946 0.132685 Sn\n0.250076 0.374054 0.867315 Sn\n0.781300 0.284912 0.958103 Sn\n0.218700 0.715088 0.041897 Sn\n0.718962 0.524650 0.541426 Sn\n0.281038 0.475350 0.458574 Sn\n0.249628 0.990619 0.632007 Sn\n0.750372 0.009381 0.367993 Sn\n0.975368 0.573889 0.646303 N\n0.024632 0.426111 0.353697 N\n0.976350 0.714699 0.906933 N\n0.023650 0.285301 0.093067 N\n0.523875 0.695378 0.853757 N\n0.476125 0.304622 0.146243 N\n0.478250 0.901897 0.405942 N\n0.521750 0.098103 0.594058 N\n",
"nsites": 18,
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"density": 5.673802786097436,
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"volume": 338.7534323246629,
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"formula_full": "Ti2 Sn8 N8",
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"energy": -118.21245724,
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{
"id": "mp-1175537",
"created_at": "2022-09-04T14:40:30.414271Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.907520 0.000000 0.000000\n2.814108 7.179795 0.000000\n2.939064 2.354350 6.809971\nLi Mn Co O\n9 2 5 16\ndirect\n0.129470 0.368116 0.876179 Li\n0.000000 0.000000 0.000000 Li\n0.375712 0.124142 0.632878 Li\n0.251419 0.750925 0.749890 Li\n0.624288 0.875858 0.367122 Li\n0.500000 0.500000 0.500000 Li\n0.870530 0.631884 0.123821 Li\n0.748581 0.249075 0.250110 Li\n0.500000 0.000000 0.000000 Li\n0.744538 0.752971 0.749807 Mn\n0.255462 0.247029 0.250193 Mn\n0.622127 0.365018 0.876049 Co\n0.377873 0.634982 0.123951 Co\n0.125824 0.880618 0.364237 Co\n0.000000 0.500000 0.500000 Co\n0.874176 0.119382 0.635763 Co\n0.740516 0.515531 0.978812 O\n0.598050 0.140810 0.131035 O\n0.989363 0.252719 0.750342 O\n0.872438 0.877425 0.853348 O\n0.241568 0.015108 0.482239 O\n0.098235 0.637983 0.616954 O\n0.483224 0.737900 0.253164 O\n0.355867 0.375105 0.369300 O\n0.516776 0.262100 0.746836 O\n0.401950 0.859190 0.868965 O\n0.758432 0.984892 0.517761 O\n0.644133 0.624895 0.630700 O\n0.010637 0.747281 0.249658 O\n0.901765 0.362017 0.383046 O\n0.259484 0.484469 0.021188 O\n0.127562 0.122575 0.146652 O\n",
"nsites": 32,
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"elements": [
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"volume": 288.8434391940098,
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1043406",
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"structure_string": "Ti4 Si16 O40\n1.0\n7.433398 0.000000 0.000000\n0.000000 7.433398 0.000000\n0.000000 0.000000 14.955498\nTi Si O\n4 16 40\ndirect\n0.500000 0.000000 0.552769 Ti\n0.000000 0.500000 0.947231 Ti\n0.000000 0.500000 0.447231 Ti\n0.500000 0.000000 0.052769 Ti\n0.182466 0.261563 0.645096 Si\n0.817534 0.738437 0.645096 Si\n0.261563 0.182466 0.854904 Si\n0.761563 0.317534 0.645096 Si\n0.238437 0.682466 0.645096 Si\n0.317534 0.761563 0.854904 Si\n0.682466 0.238437 0.854904 Si\n0.738437 0.817534 0.854904 Si\n0.317534 0.238437 0.354904 Si\n0.682466 0.761563 0.354904 Si\n0.238437 0.317534 0.145096 Si\n0.738437 0.182466 0.354904 Si\n0.261563 0.817534 0.354904 Si\n0.182466 0.738437 0.145096 Si\n0.817534 0.261563 0.145096 Si\n0.761563 0.682466 0.145096 Si\n0.286480 0.116826 0.583621 O\n0.713520 0.883174 0.583621 O\n0.116826 0.286480 0.916379 O\n0.616826 0.213520 0.583621 O\n0.383174 0.786480 0.583621 O\n0.213520 0.616826 0.916379 O\n0.786480 0.383174 0.916379 O\n0.883174 0.713520 0.916379 O\n0.213520 0.383174 0.416379 O\n0.786480 0.616826 0.416379 O\n0.383174 0.213520 0.083621 O\n0.883174 0.286480 0.416379 O\n0.116826 0.713520 0.416379 O\n0.286480 0.883174 0.083621 O\n0.713520 0.116826 0.083621 O\n0.253705 0.032601 0.378158 O\n0.616826 0.786480 0.083621 O\n0.753705 0.532601 0.621842 O\n0.467399 0.246295 0.878158 O\n0.967399 0.253705 0.621842 O\n0.032601 0.746295 0.621842 O\n0.253705 0.967399 0.878158 O\n0.746295 0.032601 0.878158 O\n0.532601 0.753705 0.878158 O\n0.716969 0.716969 0.250000 O\n0.783031 0.216969 0.250000 O\n0.216969 0.783031 0.250000 O\n0.283031 0.283031 0.250000 O\n0.783031 0.783031 0.750000 O\n0.716969 0.283031 0.750000 O\n0.283031 0.716969 0.750000 O\n0.216969 0.216969 0.750000 O\n0.967399 0.746295 0.121842 O\n0.753705 0.467399 0.121842 O\n0.246295 0.532601 0.121842 O\n0.467399 0.753705 0.378158 O\n0.532601 0.246295 0.378158 O\n0.032601 0.253705 0.121842 O\n0.746295 0.967399 0.378158 O\n0.246295 0.467399 0.621842 O\n",
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"volume": 826.3721113259735,
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{
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