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{
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"results": [
{
"id": "mp-1184851",
"created_at": "2022-09-04T14:48:13.020258Z",
"structure_string": "K3 Ga1\n1.0\n0.000000 4.533517 4.533517\n4.533517 0.000000 4.533517\n4.533517 4.533517 0.000000\nK Ga\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n",
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"formula_full": "K3 Ga1",
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{
"id": "mp-1021353",
"created_at": "2022-09-04T14:47:43.384107Z",
"structure_string": "K2 Li2 Mg12\n1.0\n5.327851 0.000000 0.000000\n0.000000 6.758981 0.000000\n0.000000 0.000000 11.633509\nK Li Mg\n2 2 12\ndirect\n0.000000 0.500000 0.327934 K\n0.000000 0.000000 0.827934 K\n0.500000 0.500000 0.156447 Li\n0.500000 0.000000 0.656447 Li\n0.000000 0.251418 0.080479 Mg\n0.000000 0.748582 0.080479 Mg\n0.000000 0.500000 0.835653 Mg\n0.500000 0.267888 0.925523 Mg\n0.500000 0.732112 0.925523 Mg\n0.500000 0.500000 0.667963 Mg\n0.000000 0.751418 0.580479 Mg\n0.000000 0.248582 0.580479 Mg\n0.000000 0.000000 0.335653 Mg\n0.500000 0.767888 0.425523 Mg\n0.500000 0.232112 0.425523 Mg\n0.500000 0.000000 0.167963 Mg\n",
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"elements": [
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"volume": 418.93247404690703,
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"formula_full": "K2 Li2 Mg12",
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"updated_at": "2021-11-28T01:38:21.696000Z",
"spacegroup": 38
},
{
"id": "mp-1021345",
"created_at": "2022-09-04T14:48:24.731016Z",
"structure_string": "K2 Ba2 Mg12\n1.0\n5.235817 0.000000 0.000000\n0.000000 6.909237 0.000000\n0.000000 0.000000 14.149261\nK Ba Mg\n2 2 12\ndirect\n0.500000 0.000000 0.178071 K\n0.500000 0.500000 0.678071 K\n0.500000 0.500000 0.174121 Ba\n0.500000 0.000000 0.674121 Ba\n0.500000 0.256897 0.423337 Mg\n0.500000 0.743103 0.423337 Mg\n0.000000 0.748156 0.043707 Mg\n0.000000 0.251844 0.043707 Mg\n0.000000 0.000000 0.357386 Mg\n0.000000 0.500000 0.356329 Mg\n0.500000 0.756897 0.923337 Mg\n0.500000 0.243103 0.923337 Mg\n0.000000 0.248156 0.543707 Mg\n0.000000 0.751844 0.543707 Mg\n0.000000 0.500000 0.857386 Mg\n0.000000 0.000000 0.856329 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ba-K-Mg",
"density": 2.090888409552984,
"density_atomic": 0.03125875495641374,
"volume": 511.85659896915007,
"volume_molar": 19.26545304954433,
"formula_full": "K2 Ba2 Mg12",
"formula_reduced": "KBaMg6",
"formula_anonymous": "ABC6",
"energy": -22.72161966,
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"updated_at": "2021-11-28T01:39:27.478000Z",
"spacegroup": 38
},
{
"id": "mp-1026610",
"created_at": "2022-09-04T14:39:10.754269Z",
"structure_string": "Rb1 Ba1 Mg14\n1.0\n6.994340 0.000000 0.000000\n-3.497170 6.057275 0.000000\n0.000000 0.000000 10.541664\nRb Ba Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Rb\n0.166667 0.333333 0.625000 Ba\n0.172536 0.836268 0.125000 Mg\n0.179475 0.839737 0.625000 Mg\n0.663732 0.327464 0.125000 Mg\n0.660263 0.320525 0.625000 Mg\n0.663732 0.836268 0.125000 Mg\n0.660263 0.839737 0.625000 Mg\n0.349815 0.150185 0.375840 Mg\n0.349815 0.150185 0.874160 Mg\n0.349815 0.699631 0.375840 Mg\n0.349815 0.699631 0.874160 Mg\n0.800369 0.150185 0.375840 Mg\n0.800369 0.150185 0.874160 Mg\n0.833333 0.666667 0.375894 Mg\n0.833333 0.666667 0.874106 Mg\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ba-Mg-Rb",
"density": 2.0935063147260116,
"density_atomic": 0.035825048097016886,
"volume": 446.61489237002036,
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"formula_full": "Rb1 Ba1 Mg14",
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"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:34:36.931000Z",
"spacegroup": 187
},
{
"id": "mp-1028191",
"created_at": "2022-09-04T14:40:25.409184Z",
"structure_string": "Cs1 Ca1 Mg14\n1.0\n6.816085 0.000000 0.000000\n-3.408043 5.902902 -0.000000\n0.000000 -0.000000 10.703596\nCs Ca Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 Ca\n0.173207 0.836603 0.125000 Mg\n0.172559 0.836279 0.625000 Mg\n0.663397 0.326793 0.125000 Mg\n0.663721 0.327441 0.625000 Mg\n0.663397 0.836603 0.125000 Mg\n0.663721 0.836279 0.625000 Mg\n0.344121 0.155879 0.365281 Mg\n0.344121 0.155879 0.884719 Mg\n0.344121 0.688243 0.365281 Mg\n0.344121 0.688243 0.884719 Mg\n0.811757 0.155879 0.365281 Mg\n0.811757 0.155879 0.884719 Mg\n0.833333 0.666667 0.376051 Mg\n0.833333 0.666667 0.873949 Mg\n",
"nsites": 16,
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"elements": [
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"Ca",
"Mg"
],
"chemical_system": "Ca-Cs-Mg",
"density": 1.9790223413007102,
"density_atomic": 0.03715264204535974,
"volume": 430.65577894744507,
"volume_molar": 16.209185749555996,
"formula_full": "Cs1 Ca1 Mg14",
"formula_reduced": "CsCaMg14",
"formula_anonymous": "ABC14",
"energy": -22.72697333,
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"updated_at": "2021-11-28T01:34:58.811000Z",
"spacegroup": 187
},
{
"id": "mp-1026626",
"created_at": "2022-09-04T14:42:03.559893Z",
"structure_string": "Rb1 Ba1 Mg14\n1.0\n6.784740 0.078907 0.000000\n-3.324035 5.757396 0.000000\n0.000000 0.000000 11.009444\nRb Ba Mg\n1 1 14\ndirect\n0.169751 0.334875 0.125000 Rb\n0.170948 0.835474 0.125000 Ba\n0.162468 0.331234 0.625000 Mg\n0.162616 0.831308 0.625000 Mg\n0.667181 0.337120 0.125000 Mg\n0.668967 0.333507 0.625000 Mg\n0.667181 0.830060 0.125000 Mg\n0.668967 0.835458 0.625000 Mg\n0.345312 0.172308 0.401823 Mg\n0.345312 0.172308 0.848177 Mg\n0.345312 0.673005 0.401823 Mg\n0.345312 0.673005 0.848177 Mg\n0.819599 0.159800 0.386192 Mg\n0.819599 0.159800 0.863808 Mg\n0.820737 0.660369 0.385790 Mg\n0.820737 0.660369 0.864210 Mg\n",
"nsites": 16,
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"elements": [
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"Ba",
"Mg"
],
"chemical_system": "Ba-Mg-Rb",
"density": 2.159615319399652,
"density_atomic": 0.03695633595386248,
"volume": 432.94335293344375,
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"formula_full": "Rb1 Ba1 Mg14",
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"spacegroup": 38
},
{
"id": "mp-1023517",
"created_at": "2022-09-04T14:42:28.859217Z",
"structure_string": "Rb1 Mg15\n1.0\n3.314284 -5.740508 0.000000\n3.314284 5.740508 0.000000\n0.000000 0.000000 10.620304\nRb Mg\n1 15\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Mg\n0.007576 0.503788 0.500000 Mg\n0.997470 0.498735 0.000000 Mg\n0.496212 0.503788 0.500000 Mg\n0.501265 0.498735 0.000000 Mg\n0.496212 0.992424 0.500000 Mg\n0.501265 0.002530 0.000000 Mg\n0.172247 0.344493 0.235075 Mg\n0.172247 0.344493 0.764925 Mg\n0.172247 0.827753 0.235075 Mg\n0.172247 0.827753 0.764925 Mg\n0.655507 0.827753 0.235075 Mg\n0.655507 0.827753 0.764925 Mg\n0.666667 0.333333 0.253290 Mg\n0.666667 0.333333 0.746710 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 1.8492512661860374,
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"volume": 404.1168794672976,
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"formula_full": "Rb1 Mg15",
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"updated_at": "2021-11-28T01:35:48.108000Z",
"spacegroup": 187
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{
"id": "mp-1183366",
"created_at": "2022-09-04T14:42:38.380433Z",
"structure_string": "Ba2 Cd6\n1.0\n3.792001 -6.387719 0.000000\n3.792001 6.387719 0.000000\n0.000000 0.000000 5.324224\nBa Cd\n2 6\ndirect\n0.332760 0.667240 0.250000 Ba\n0.667240 0.332760 0.750000 Ba\n0.140552 0.281718 0.750000 Cd\n0.718282 0.859448 0.750000 Cd\n0.140084 0.859916 0.750000 Cd\n0.859448 0.718282 0.250000 Cd\n0.281718 0.140552 0.250000 Cd\n0.859916 0.140084 0.250000 Cd\n",
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],
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{
"id": "mp-1096709",
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"structure_string": "Cd2 Ag1 Pd1\n1.0\n-5.312973 5.763021 8.148505\n5.312973 -5.763021 8.148505\n5.312973 5.763021 -8.148505\nCd Ag Pd\n2 1 1\ndirect\n0.000000 0.245455 0.245455 Cd\n0.000000 0.754545 0.754545 Cd\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Cd2 Ag1 Pd1",
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{
"id": "mp-1094788",
"created_at": "2022-09-04T14:47:25.223369Z",
"structure_string": "Mg2 Zn2\n1.0\n1.539936 -2.667247 0.000000\n1.539936 2.667247 0.000000\n0.000000 0.000000 9.160490\nMg Zn\n2 2\ndirect\n0.333333 0.666667 0.643243 Mg\n0.666667 0.333333 0.356757 Mg\n0.666667 0.333333 0.889837 Zn\n0.333333 0.666667 0.110163 Zn\n",
"nsites": 4,
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"formula_full": "Mg2 Zn2",
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"spacegroup": 164
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{
"id": "mp-1094461",
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"structure_string": "Mg2 Zn4\n1.0\n2.405044 4.408048 0.000000\n-2.405044 4.408048 0.000000\n0.000000 3.239342 4.817644\nMg Zn\n2 4\ndirect\n0.085315 0.914685 0.750000 Mg\n0.914685 0.085315 0.250000 Mg\n0.251816 0.417823 0.238189 Zn\n0.582177 0.748184 0.261811 Zn\n0.417823 0.251816 0.738189 Zn\n0.748184 0.582177 0.761811 Zn\n",
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{
"id": "mp-1096475",
"created_at": "2022-09-04T14:45:30.133074Z",
"structure_string": "Ba2 Tl1 Pb1\n1.0\n-6.344516 7.375057 10.578048\n6.344516 -7.375057 10.578048\n6.344516 7.375057 -10.578048\nBa Tl Pb\n2 1 1\ndirect\n0.000000 0.254479 0.254479 Ba\n0.000000 0.745521 0.745521 Ba\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1979.836847822267,
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"updated_at": "2021-11-28T01:36:57.697000Z",
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]
}