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{
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"results": [
{
"id": "mp-1186875",
"created_at": "2022-09-04T14:40:56.444883Z",
"structure_string": "Rb3 Tb1\n1.0\n-3.119746 3.119746 6.805386\n3.119746 -3.119746 6.805386\n3.119746 3.119746 -6.805386\nRb Tb\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tb\n",
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{
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"structure_string": "Mo2 Ir2\n1.0\n2.775346 0.000000 0.000000\n0.000000 4.463059 0.000000\n0.000000 0.000000 4.861714\nMo Ir\n2 2\ndirect\n0.000000 0.250000 0.829139 Mo\n0.000000 0.750000 0.170861 Mo\n0.500000 0.250000 0.325741 Ir\n0.500000 0.750000 0.674259 Ir\n",
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"spacegroup": 51
},
{
"id": "mp-12704",
"created_at": "2022-09-04T14:40:56.409322Z",
"structure_string": "Tb4 Ga4 Pd4\n1.0\n4.491093 0.000000 0.000000\n0.000000 6.977928 0.000000\n0.000000 0.000000 7.680750\nTb Ga Pd\n4 4 4\ndirect\n0.250000 0.482705 0.198163 Tb\n0.750000 0.517295 0.801837 Tb\n0.250000 0.982705 0.301837 Tb\n0.750000 0.017295 0.698163 Tb\n0.250000 0.824442 0.924007 Ga\n0.750000 0.175558 0.075993 Ga\n0.250000 0.324442 0.575993 Ga\n0.750000 0.675558 0.424007 Ga\n0.750000 0.780910 0.096377 Pd\n0.250000 0.219090 0.903623 Pd\n0.750000 0.280910 0.403623 Pd\n0.250000 0.719090 0.596377 Pd\n",
"nsites": 12,
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"density_atomic": 0.0498538937948945,
"volume": 240.70336510463122,
"volume_molar": 12.079579550548011,
"formula_full": "Tb4 Ga4 Pd4",
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"energy": -62.05324836999999,
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"spacegroup": 62
},
{
"id": "mp-22305",
"created_at": "2022-09-04T14:40:56.414776Z",
"structure_string": "Na1 Cu3 Ru4 O12\n1.0\n-3.722185 3.722185 3.722185\n3.722185 -3.722185 3.722185\n3.722185 3.722185 -3.722185\nNa Cu Ru O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.175221 0.688450 0.863671 O\n0.824779 0.311550 0.136329 O\n0.824779 0.688450 0.513229 O\n0.136329 0.824779 0.311550 O\n0.688450 0.863671 0.175221 O\n0.311550 0.486771 0.175221 O\n0.486771 0.175221 0.311550 O\n0.311550 0.136329 0.824779 O\n0.175221 0.311550 0.486771 O\n0.863671 0.175221 0.688450 O\n0.688450 0.513229 0.824779 O\n0.513229 0.824779 0.688450 O\n",
"nsites": 20,
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"density": 6.519690003089662,
"density_atomic": 0.09695632380810236,
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"formula_full": "Na1 Cu3 Ru4 O12",
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},
{
"id": "mp-1215884",
"created_at": "2022-09-04T14:40:56.417590Z",
"structure_string": "Zn18 Fe8\n1.0\n6.363380 4.447549 0.000000\n-6.363380 4.447549 0.000000\n0.000000 4.433348 6.379428\nZn Fe\n18 8\ndirect\n0.991534 0.271428 0.346908 Zn\n0.725550 0.725550 0.620441 Zn\n0.271428 0.991534 0.346908 Zn\n0.987849 0.650704 0.729600 Zn\n0.271580 0.644173 0.016412 Zn\n0.729863 0.383167 0.274358 Zn\n0.383167 0.729863 0.274358 Zn\n0.644173 0.271580 0.016412 Zn\n0.650704 0.987849 0.729600 Zn\n0.624292 0.351440 0.657748 Zn\n0.347933 0.347933 0.364309 Zn\n0.351440 0.624292 0.657748 Zn\n0.001637 0.001637 0.661577 Zn\n0.000799 0.339310 0.998088 Zn\n0.339310 0.000799 0.998088 Zn\n0.659967 0.659967 0.339749 Zn\n0.363329 0.001655 0.635624 Zn\n0.001655 0.363329 0.635624 Zn\n0.351522 0.351522 0.994164 Fe\n0.657118 0.001585 0.341726 Fe\n0.001585 0.657118 0.341726 Fe\n0.651214 0.651214 0.997545 Fe\n0.002242 0.002242 0.215444 Fe\n0.998313 0.790940 0.003044 Fe\n0.790940 0.998313 0.003044 Fe\n0.200857 0.200857 0.799756 Fe\n",
"nsites": 26,
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"elements": [
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],
"chemical_system": "Fe-Zn",
"density": 7.468741195214812,
"density_atomic": 0.07200340126059358,
"volume": 361.0940531253684,
"volume_molar": 8.363689290461101,
"formula_full": "Zn18 Fe8",
"formula_reduced": "Zn9Fe4",
"formula_anonymous": "A4B9",
"energy": -89.36986519,
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"updated_at": "2021-11-28T01:35:01.438000Z",
"spacegroup": 8
},
{
"id": "mp-13119",
"created_at": "2022-09-04T14:40:56.436826Z",
"structure_string": "Cd2 O2\n1.0\n1.842084 -3.190583 0.000000\n1.842084 3.190583 0.000000\n0.000000 0.000000 5.825275\nCd O\n2 2\ndirect\n0.666667 0.333333 0.499647 Cd\n0.333333 0.666667 0.999647 Cd\n0.666667 0.333333 0.885253 O\n0.333333 0.666667 0.385253 O\n",
"nsites": 4,
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"elements": [
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"density": 6.22806858747616,
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"volume": 68.47403260346604,
"volume_molar": 10.309006568572546,
"formula_full": "Cd2 O2",
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"energy": -17.17166438,
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"updated_at": "2021-11-28T01:34:59.362000Z",
"spacegroup": 186
},
{
"id": "mp-1074538",
"created_at": "2022-09-04T14:40:56.452378Z",
"structure_string": "Mg4 Si3\n1.0\n4.361818 0.000000 0.000000\n2.054143 5.137178 0.000000\n2.014449 0.531294 6.133299\nMg Si\n4 3\ndirect\n0.609699 0.712518 0.097933 Mg\n0.172182 0.201628 0.444284 Mg\n0.827818 0.798372 0.555716 Mg\n0.390301 0.287482 0.902067 Mg\n0.500000 0.500000 0.500000 Si\n0.831569 0.139729 0.168398 Si\n0.168431 0.860271 0.831602 Si\n",
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"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.1927201151333438,
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"volume": 137.43150155828675,
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"formula_full": "Mg4 Si3",
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"formula_anonymous": "A3B4",
"energy": -22.27544909,
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"updated_at": "2021-11-28T01:35:00.821000Z",
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},
{
"id": "mp-1027986",
"created_at": "2022-09-04T14:40:56.522105Z",
"structure_string": "Mg14 Fe1 Cu1\n1.0\n6.269686 -0.021617 0.000000\n-3.153564 5.462133 0.000000\n0.000000 0.000000 9.790061\nMg Fe Cu\n14 1 1\ndirect\n0.172180 0.336089 0.625000 Mg\n0.171543 0.835771 0.625000 Mg\n0.688363 0.341951 0.125000 Mg\n0.664097 0.332187 0.625000 Mg\n0.688363 0.846411 0.125000 Mg\n0.664097 0.831909 0.625000 Mg\n0.320189 0.162123 0.351602 Mg\n0.320189 0.162123 0.898398 Mg\n0.320189 0.658067 0.351602 Mg\n0.320189 0.658067 0.898398 Mg\n0.841631 0.170816 0.370240 Mg\n0.841631 0.170816 0.879760 Mg\n0.838316 0.669159 0.370277 Mg\n0.838316 0.669159 0.879723 Mg\n0.152816 0.326408 0.125000 Fe\n0.157888 0.828943 0.125000 Cu\n",
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"volume": 334.60165238795815,
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"formula_full": "Mg14 Fe1 Cu1",
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{
"id": "mp-1206479",
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"structure_string": "Yb1 Tl1 Cu4\n1.0\n0.000000 3.612228 3.612228\n3.612228 0.000000 3.612228\n3.612228 3.612228 0.000000\nYb Tl Cu\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 Tl\n0.624851 0.624851 0.624851 Cu\n0.624851 0.624851 0.125446 Cu\n0.624851 0.125446 0.624851 Cu\n0.125446 0.624851 0.624851 Cu\n",
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{
"id": "mp-617426",
"created_at": "2022-09-04T14:40:56.459938Z",
"structure_string": "In4 Fe4 Br12\n1.0\n3.721589 0.000000 0.000000\n0.000000 9.207578 0.000000\n0.000000 0.000000 15.284974\nIn Fe Br\n4 4 12\ndirect\n0.750000 0.552078 0.672727 In\n0.250000 0.447922 0.327273 In\n0.250000 0.947922 0.172727 In\n0.750000 0.052078 0.827273 In\n0.250000 0.648519 0.950823 Fe\n0.750000 0.851481 0.450823 Fe\n0.250000 0.148519 0.549177 Fe\n0.750000 0.351481 0.049177 Fe\n0.250000 0.015762 0.409472 Br\n0.750000 0.236208 0.196489 Br\n0.250000 0.692949 0.497436 Br\n0.750000 0.736208 0.303511 Br\n0.250000 0.515762 0.090528 Br\n0.250000 0.192949 0.002564 Br\n0.750000 0.807051 0.997436 Br\n0.750000 0.984238 0.590528 Br\n0.750000 0.484238 0.909472 Br\n0.250000 0.263792 0.696489 Br\n0.750000 0.307051 0.502564 Br\n0.250000 0.763792 0.803511 Br\n",
"nsites": 20,
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"elements": [
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"formula_full": "In4 Fe4 Br12",
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"spacegroup": 62
},
{
"id": "mp-542621",
"created_at": "2022-09-04T14:40:56.465607Z",
"structure_string": "Ta5 Se10\n1.0\n7.802667 0.000000 0.000000\n-2.633451 7.796802 0.000000\n-1.320818 -1.539098 9.548419\nTa Se\n5 10\ndirect\n0.000000 0.000000 0.000000 Ta\n0.035413 0.188511 0.249119 Ta\n0.964587 0.811489 0.750881 Ta\n0.651447 0.137829 0.132368 Ta\n0.348553 0.862171 0.867632 Ta\n0.041413 0.898767 0.245099 Se\n0.958587 0.101233 0.754901 Se\n0.772558 0.673318 0.919138 Se\n0.227442 0.326682 0.080862 Se\n0.405521 0.856655 0.124530 Se\n0.594479 0.143345 0.875470 Se\n0.840622 0.280325 0.392008 Se\n0.159378 0.719675 0.607992 Se\n0.467103 0.644972 0.760932 Se\n0.532897 0.355028 0.239068 Se\n",
"nsites": 15,
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"volume": 580.8861828790899,
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"formula_full": "Ta5 Se10",
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"energy": -101.94747998,
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{
"id": "mp-1187036",
"created_at": "2022-09-04T14:40:56.479930Z",
"structure_string": "Sn3 Rh1\n1.0\n0.000000 3.541463 3.541463\n3.541463 0.000000 3.541463\n3.541463 3.541463 0.000000\nSn Rh\n3 1\ndirect\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Rh\n",
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}
]
}