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{
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"results": [
{
"id": "mp-1021401",
"created_at": "2022-09-04T14:41:01.552450Z",
"structure_string": "Mg12 Ga2 Sn2\n1.0\n5.322033 0.000000 0.000000\n0.000000 6.209780 0.000000\n0.000000 0.000000 10.845117\nMg Ga Sn\n12 2 2\ndirect\n0.000000 0.746983 0.085468 Mg\n0.000000 0.253017 0.085468 Mg\n0.000000 0.000000 0.332990 Mg\n0.500000 0.249467 0.416090 Mg\n0.500000 0.750533 0.416090 Mg\n0.500000 0.000000 0.167275 Mg\n0.000000 0.246983 0.585468 Mg\n0.000000 0.753017 0.585468 Mg\n0.000000 0.500000 0.832990 Mg\n0.500000 0.749467 0.916090 Mg\n0.500000 0.250533 0.916090 Mg\n0.500000 0.500000 0.667275 Mg\n0.500000 0.500000 0.163152 Ga\n0.500000 0.000000 0.663152 Ga\n0.000000 0.500000 0.333467 Sn\n0.000000 0.000000 0.833467 Sn\n",
"nsites": 16,
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"elements": [
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"density": 3.0972722444738814,
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"spacegroup": 38
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{
"id": "mp-1185414",
"created_at": "2022-09-04T14:42:42.642697Z",
"structure_string": "Li1 Si1 O3\n1.0\n3.508652 0.000000 0.000000\n0.000000 3.508652 0.000000\n0.000000 0.000000 3.508652\nLi Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Li-O-Si",
"density": 3.1917989373979303,
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"volume": 43.19374764725567,
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"formula_full": "Li1 Si1 O3",
"formula_reduced": "LiSiO3",
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"updated_at": "2021-11-28T01:35:51.890000Z",
"spacegroup": 221
},
{
"id": "mp-1223046",
"created_at": "2022-09-04T14:46:23.606342Z",
"structure_string": "La1 Mn1 Fe1 Ge2\n1.0\n-2.055293 2.055293 5.351137\n2.055293 -2.055293 5.351137\n2.055293 2.055293 -5.351137\nLa Mn Fe Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Fe\n0.630063 0.630063 0.000000 Ge\n0.369937 0.369937 0.000000 Ge\n",
"nsites": 5,
"nelements": 4,
"elements": [
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"Mn",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-La-Mn",
"density": 7.253673896780323,
"density_atomic": 0.05529889546847121,
"volume": 90.41771915409706,
"volume_molar": 10.890164638882412,
"formula_full": "La1 Mn1 Fe1 Ge2",
"formula_reduced": "LaMnFeGe2",
"formula_anonymous": "ABCD2",
"energy": -34.1490763,
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"updated_at": "2021-11-28T01:37:32.800000Z",
"spacegroup": 119
},
{
"id": "mp-1206642",
"created_at": "2022-09-04T14:40:39.827779Z",
"structure_string": "Li1 W1 N2\n1.0\n5.470537 -1.480446 0.000000\n5.470537 1.480446 0.000000\n5.069896 0.000000 2.532716\nLi W N\n1 1 2\ndirect\n0.829095 0.829095 0.829095 Li\n0.003314 0.003314 0.003314 W\n0.596076 0.596076 0.596076 N\n0.411516 0.411516 0.411516 N\n",
"nsites": 4,
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"elements": [
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"W",
"N"
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"chemical_system": "Li-N-W",
"density": 8.856176827410989,
"density_atomic": 0.09750367188291839,
"volume": 41.024096044333255,
"volume_molar": 6.1763220232683524,
"formula_full": "Li1 W1 N2",
"formula_reduced": "LiWN2",
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"energy": -34.148327200000004,
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"updated_at": "2021-11-28T01:35:06.705000Z",
"spacegroup": 160
},
{
"id": "mp-22740",
"created_at": "2022-09-04T14:48:06.055768Z",
"structure_string": "Ce2 Cu2 Si2\n1.0\n2.071255 -3.587519 0.000000\n2.071255 3.587519 0.000000\n0.000000 0.000000 7.983219\nCe Cu Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n",
"nsites": 6,
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"elements": [
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"Cu",
"Si"
],
"chemical_system": "Ce-Cu-Si",
"density": 6.4872156097910905,
"density_atomic": 0.050572617468751815,
"volume": 118.64127862686412,
"volume_molar": 11.907907997289254,
"formula_full": "Ce2 Cu2 Si2",
"formula_reduced": "CeCuSi",
"formula_anonymous": "ABC",
"energy": -34.14570088,
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"updated_at": "2021-11-28T01:38:25.103000Z",
"spacegroup": 194
},
{
"id": "mp-568967",
"created_at": "2022-09-04T14:47:00.938302Z",
"structure_string": "Ba5 Ga5 Sn1\n1.0\n3.037870 -5.261744 0.000000\n3.037870 5.261744 0.000000\n0.000000 0.000000 11.009601\nBa Ga Sn\n5 5 1\ndirect\n0.000000 0.000000 0.669038 Ba\n0.666667 0.333333 0.797878 Ba\n0.666667 0.333333 0.202122 Ba\n0.333333 0.666667 0.000000 Ba\n0.000000 0.000000 0.330962 Ba\n0.514602 0.485398 0.500000 Ga\n0.970796 0.485398 0.500000 Ga\n0.514602 0.029204 0.500000 Ga\n0.333333 0.666667 0.674314 Ga\n0.333333 0.666667 0.325686 Ga\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 11,
"nelements": 3,
"elements": [
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"Ga",
"Sn"
],
"chemical_system": "Ba-Ga-Sn",
"density": 5.444266515723228,
"density_atomic": 0.0312530358369157,
"volume": 351.96580765465785,
"volume_molar": 19.2689785127585,
"formula_full": "Ba5 Ga5 Sn1",
"formula_reduced": "Ba5Ga5Sn",
"formula_anonymous": "AB5C5",
"energy": -34.14376278,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.989000Z",
"spacegroup": 187
},
{
"id": "mp-6950",
"created_at": "2022-09-04T14:39:16.289743Z",
"structure_string": "Ba2 Sb6\n1.0\n4.314885 5.497006 0.000000\n-4.314885 5.497006 0.000000\n0.000000 2.549352 6.063310\nBa Sb\n2 6\ndirect\n0.334636 0.334636 0.821401 Ba\n0.665364 0.665364 0.178599 Ba\n0.857741 0.416916 0.702749 Sb\n0.583084 0.142259 0.297251 Sb\n0.987287 0.987287 0.728557 Sb\n0.012713 0.012713 0.271443 Sb\n0.416916 0.857741 0.702749 Sb\n0.142259 0.583084 0.297251 Sb\n",
"nsites": 8,
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"elements": [
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"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.80326524387731,
"density_atomic": 0.02781344484125545,
"volume": 287.63067810045834,
"volume_molar": 21.65190538019012,
"formula_full": "Ba2 Sb6",
"formula_reduced": "BaSb3",
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"energy": -34.14320926,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:35.053000Z",
"spacegroup": 12
},
{
"id": "mp-1221881",
"created_at": "2022-09-04T14:44:29.254644Z",
"structure_string": "Mn2 Al1 Cu3\n1.0\n4.205438 -2.417190 0.000000\n4.205438 2.417190 0.000000\n2.816092 0.000000 3.949449\nMn Al Cu\n2 1 3\ndirect\n0.126022 0.126022 0.126022 Mn\n0.873978 0.873978 0.873978 Mn\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n",
"nsites": 6,
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"elements": [
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"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mn",
"density": 6.77276607323318,
"density_atomic": 0.0747244489632085,
"volume": 80.2950049582055,
"volume_molar": 8.059130369720192,
"formula_full": "Mn2 Al1 Cu3",
"formula_reduced": "Mn2AlCu3",
"formula_anonymous": "AB2C3",
"energy": -34.14249506,
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"updated_at": "2021-11-28T01:36:44.854000Z",
"spacegroup": 166
},
{
"id": "mp-1026459",
"created_at": "2022-09-04T14:46:36.080577Z",
"structure_string": "Mg14 Cd1 W1\n1.0\n6.279639 -0.020668 0.000000\n-3.157718 5.469328 0.000000\n0.000000 0.000000 9.967928\nMg Cd W\n14 1 1\ndirect\n0.167013 0.333506 0.625000 Mg\n0.168769 0.834384 0.625000 Mg\n0.668074 0.332736 0.125000 Mg\n0.665971 0.331523 0.625000 Mg\n0.668074 0.835338 0.125000 Mg\n0.665971 0.834447 0.625000 Mg\n0.327344 0.171634 0.364537 Mg\n0.327344 0.171634 0.885463 Mg\n0.327344 0.655712 0.364537 Mg\n0.327344 0.655712 0.885463 Mg\n0.844380 0.172190 0.366896 Mg\n0.844380 0.172190 0.883104 Mg\n0.833385 0.666693 0.374379 Mg\n0.833385 0.666693 0.875621 Mg\n0.164815 0.832407 0.125000 Cd\n0.166407 0.333203 0.125000 W\n",
"nsites": 16,
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"elements": [
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"Cd",
"W"
],
"chemical_system": "Cd-Mg-W",
"density": 3.09324509626215,
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"volume": 341.7019842651749,
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"formula_full": "Mg14 Cd1 W1",
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"spacegroup": 38
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{
"id": "mp-1216632",
"created_at": "2022-09-04T14:39:05.680213Z",
"structure_string": "Tm2 Ni2 Ge2\n1.0\n2.057124 5.065741 0.000000\n-2.057124 5.065741 0.000000\n0.000000 4.510113 5.054532\nTm Ni Ge\n2 2 2\ndirect\n0.550066 0.550066 0.689927 Tm\n0.449934 0.449934 0.310073 Tm\n0.168549 0.168549 0.279913 Ni\n0.831451 0.831451 0.720087 Ni\n0.830096 0.830096 0.104323 Ge\n0.169904 0.169904 0.895677 Ge\n",
"nsites": 6,
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"elements": [
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"density": 9.466145634786749,
"density_atomic": 0.05695565514413516,
"volume": 105.34511427910125,
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"formula_full": "Tm2 Ni2 Ge2",
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"spacegroup": 12
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{
"id": "mp-1008278",
"created_at": "2022-09-04T14:44:14.307159Z",
"structure_string": "Cr3 Ni1\n1.0\n3.569271 0.000000 0.000000\n0.000000 3.569271 0.000000\n0.000000 0.000000 3.569271\nCr Ni\n3 1\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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"density": 7.839810277972502,
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"volume": 45.471425595045694,
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"formula_full": "Cr3 Ni1",
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"updated_at": "2021-11-28T01:36:30.970000Z",
"spacegroup": 221
},
{
"id": "mp-1235294",
"created_at": "2022-09-04T14:47:59.281684Z",
"structure_string": "Sr2 Li1 Cu1 Br1 O2\n1.0\n4.119258 0.076132 9.303844\n1.958257 3.713301 9.319758\n-0.026403 0.076132 10.174926\nSr Li Cu Br O\n2 1 1 1 2\ndirect\n0.221031 0.276601 0.221031 Sr\n0.751154 0.822883 0.751154 Sr\n0.340548 0.432265 0.340548 Li\n0.479827 0.543559 0.479827 Cu\n0.974369 0.070381 0.974369 Br\n0.409822 0.484093 0.409822 O\n0.545125 0.601468 0.545125 O\n",
"nsites": 7,
"nelements": 5,
"elements": [
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],
"chemical_system": "Br-Cu-Li-O-Sr",
"density": 3.8693644489257624,
"density_atomic": 0.045609454692691655,
"volume": 153.4769500570605,
"volume_molar": 13.203711380844405,
"formula_full": "Sr2 Li1 Cu1 Br1 O2",
"formula_reduced": "Sr2LiCuBrO2",
"formula_anonymous": "ABCD2E2",
"energy": -34.137888520000004,
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"updated_at": "2021-11-28T01:38:23.200000Z",
"spacegroup": 8
}
]
}