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{
"id": "mp-1094480",
"created_at": "2022-09-04T14:41:21.159034Z",
"structure_string": "Mg4 Zn2\n1.0\n1.526994 -2.644832 0.000000\n1.526994 2.644832 0.000000\n0.000000 0.000000 15.002159\nMg Zn\n4 2\ndirect\n0.666667 0.333333 0.775783 Mg\n0.333333 0.666667 0.591380 Mg\n0.666667 0.333333 0.408620 Mg\n0.333333 0.666667 0.224217 Mg\n0.333333 0.666667 0.931236 Zn\n0.666667 0.333333 0.068764 Zn\n",
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{
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"spacegroup": 155
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{
"id": "mp-1206184",
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"structure_string": "Ce1 Al2 Cu3\n1.0\n2.656970 -4.602008 0.000000\n2.656970 4.602008 0.000000\n0.000000 0.000000 4.030929\nCe Al Cu\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.000000 Al\n0.666667 0.333333 0.000000 Al\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 6,
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"density": 6.480692237801313,
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"volume": 98.57553990181532,
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"formula_full": "Ce1 Al2 Cu3",
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"energy": -27.30818392,
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"spacegroup": 191
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{
"id": "mp-1553",
"created_at": "2022-09-04T14:41:21.715182Z",
"structure_string": "Ho1 Ni5\n1.0\n2.425568 -4.201206 0.000000\n2.425568 4.201206 0.000000\n0.000000 0.000000 3.951067\nHo Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.500000 Ni\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 6,
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"elements": [
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"density": 9.452775548859902,
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"volume": 80.52520171988512,
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"formula_full": "Ho1 Ni5",
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"spacegroup": 191
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{
"id": "mp-1077021",
"created_at": "2022-09-04T14:41:11.652900Z",
"structure_string": "Ti2 S4\n1.0\n1.674076 -2.899585 0.000000\n1.674076 2.899585 0.000000\n0.000000 0.000000 12.959020\nTi S\n2 4\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n0.333333 0.666667 0.866156 S\n0.666667 0.333333 0.133844 S\n0.666667 0.333333 0.366156 S\n0.333333 0.666667 0.633844 S\n",
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"elements": [
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"density": 2.956462074706399,
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"volume": 125.80942298099262,
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"formula_full": "Ti2 S4",
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"updated_at": "2021-11-28T01:35:16.870000Z",
"spacegroup": 194
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{
"id": "mp-1039028",
"created_at": "2022-09-04T14:41:11.169086Z",
"structure_string": "Ca1 Mg5\n1.0\n1.650216 -2.858258 0.000000\n1.650216 2.858258 0.000000\n0.000000 0.000000 16.459998\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.824062 Mg\n0.000000 0.000000 0.662758 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.337242 Mg\n0.666667 0.333333 0.175938 Mg\n",
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"elements": [
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"Mg"
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"density": 1.7282100293347156,
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"volume": 155.2751634493534,
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"formula_full": "Ca1 Mg5",
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"formula_anonymous": "AB5",
"energy": -9.4935955,
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"updated_at": "2021-11-28T01:35:12.317000Z",
"spacegroup": 187
},
{
"id": "mp-1217066",
"created_at": "2022-09-04T14:41:20.609647Z",
"structure_string": "Ti2 Be3 Ga1\n1.0\n-3.293252 0.000000 -3.293252\n3.293252 -3.293252 0.000000\n-3.333885 -3.333885 0.040633\nTi Be Ga\n2 3 1\ndirect\n0.500463 0.750231 0.749306 Ti\n0.999537 0.999769 0.000694 Ti\n0.250000 0.375000 0.375000 Be\n0.250000 0.875000 0.375000 Be\n0.750000 0.375000 0.375000 Be\n0.750000 0.375000 0.875000 Ga\n",
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"Be",
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"density": 4.39335398871777,
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"volume": 72.75604333778124,
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"formula_full": "Ti2 Be3 Ga1",
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"formula_anonymous": "AB2C3",
"energy": -31.612383200000004,
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"updated_at": "2021-11-28T01:35:16.375000Z",
"spacegroup": 166
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{
"id": "mp-8911",
"created_at": "2022-09-04T14:41:14.561566Z",
"structure_string": "Cu2 Ag2 S2\n1.0\n1.983445 -3.402302 0.000000\n1.983445 3.402302 0.000000\n0.000000 0.000000 8.454771\nCu Ag S\n2 2 2\ndirect\n0.477704 0.522296 0.250000 Cu\n0.522296 0.477704 0.750000 Cu\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.183615 0.816385 0.750000 S\n0.816385 0.183615 0.250000 S\n",
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"volume": 114.11030532476309,
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"formula_full": "Cu2 Ag2 S2",
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{
"id": "mp-9556",
"created_at": "2022-09-04T14:41:20.423462Z",
"structure_string": "Sr2 Zn2 Si2\n1.0\n2.157762 -3.737354 0.000000\n2.157762 3.737354 0.000000\n0.000000 0.000000 9.009966\nSr Zn Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n",
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"formula_full": "Sr2 Zn2 Si2",
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"updated_at": "2021-11-28T01:35:09.961000Z",
"spacegroup": 194
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{
"id": "mp-1214778",
"created_at": "2022-09-04T14:41:14.631676Z",
"structure_string": "Ba2 Cu1 Te2 F1\n1.0\n3.895415 0.000000 0.000000\n0.000000 3.895415 0.000000\n0.000000 0.000000 16.292589\nBa Cu Te F\n2 1 2 1\ndirect\n0.500000 0.500000 0.650593 Ba\n0.500000 0.500000 0.349407 Ba\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.148672 Te\n0.500000 0.500000 0.851328 Te\n0.500000 0.500000 0.500000 F\n",
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"volume": 247.22794933606477,
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"formula_full": "Ba2 Cu1 Te2 F1",
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"formula_anonymous": "ABC2D2",
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{
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"created_at": "2022-09-04T14:41:20.360019Z",
"structure_string": "K2 C4\n1.0\n-3.752781 -2.407249 1.156984\n3.752781 -2.407249 -1.156984\n3.753520 2.407249 6.798152\nK C\n2 4\ndirect\n0.066338 0.816338 0.250000 K\n0.933662 0.183662 0.750000 K\n0.628009 0.122392 0.054972 C\n0.371991 0.877608 0.945028 C\n0.567420 0.573037 0.445028 C\n0.432580 0.426963 0.554972 C\n",
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"spacegroup": 15
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{
"id": "mp-1217279",
"created_at": "2022-09-04T14:41:11.213688Z",
"structure_string": "Th2 Si3 Ir1\n1.0\n-2.050826 2.118805 7.136444\n2.050826 -2.118805 7.136444\n2.050826 2.118805 -7.136444\nTh Si Ir\n2 3 1\ndirect\n0.751956 0.251956 0.500000 Th\n0.000291 0.000291 0.000000 Th\n0.583968 0.583968 0.000000 Si\n0.331515 0.831515 0.500000 Si\n0.417195 0.417195 0.000000 Si\n0.165076 0.665076 0.500000 Ir\n",
"nsites": 6,
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"volume": 124.039971383834,
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"formula_full": "Th2 Si3 Ir1",
"formula_reduced": "Th2Si3Ir",
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"energy": -45.27127646,
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"updated_at": "2021-11-28T01:35:15.739000Z",
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]
}