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{
"id": "mp-1104805",
"created_at": "2022-09-04T14:44:10.732249Z",
"structure_string": "Dy10 Ir4\n1.0\n0.000000 6.476878 0.000000\n0.895722 0.000000 -7.136073\n-7.960994 -3.238439 0.000000\nDy Ir\n10 4\ndirect\n0.791914 0.083748 0.813980 Dy\n0.977934 0.416252 0.186020 Dy\n0.208086 0.916252 0.186020 Dy\n0.022066 0.583748 0.813980 Dy\n0.209685 0.184261 0.560930 Dy\n0.648755 0.315739 0.439070 Dy\n0.790315 0.815739 0.439070 Dy\n0.351245 0.684261 0.560930 Dy\n0.429882 0.250000 0.000000 Dy\n0.570118 0.750000 0.000000 Dy\n0.600491 0.425278 0.777448 Ir\n0.823043 0.074722 0.222552 Ir\n0.399509 0.574722 0.222552 Ir\n0.176957 0.925278 0.777448 Ir\n",
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"spacegroup": 15
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{
"id": "mp-1104804",
"created_at": "2022-09-04T14:45:08.447195Z",
"structure_string": "Ba4 Cd4 Sb6\n1.0\n2.459742 9.172512 0.000000\n-2.459742 9.172512 0.000000\n0.000000 8.197868 10.948243\nBa Cd Sb\n4 4 6\ndirect\n0.264070 0.264070 0.337427 Ba\n0.735930 0.735930 0.662573 Ba\n0.398066 0.398066 0.944198 Ba\n0.601934 0.601934 0.055802 Ba\n0.041208 0.041208 0.689444 Cd\n0.958792 0.958792 0.310556 Cd\n0.408758 0.408758 0.654045 Cd\n0.591242 0.591242 0.345955 Cd\n0.079931 0.079931 0.875566 Sb\n0.920069 0.920069 0.124434 Sb\n0.155773 0.155773 0.195233 Sb\n0.844227 0.844227 0.804767 Sb\n0.386702 0.386702 0.458398 Sb\n0.613298 0.613298 0.541602 Sb\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Ba-Cd-Sb",
"density": 5.813268842330428,
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"volume": 494.0288020469737,
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"formula_full": "Ba4 Cd4 Sb6",
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"formula_anonymous": "A2B2C3",
"energy": -46.94821885,
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"updated_at": "2021-11-28T01:36:54.267000Z",
"spacegroup": 12
},
{
"id": "mp-1104803",
"created_at": "2022-09-04T14:42:07.430825Z",
"structure_string": "Dy2 Al6 C6\n1.0\n1.716872 -2.973710 0.000000\n1.716872 2.973710 0.000000\n0.000000 0.000000 17.348492\nDy Al C\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.366348 Al\n0.666667 0.333333 0.633652 Al\n0.666667 0.333333 0.866348 Al\n0.333333 0.666667 0.133652 Al\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.906893 C\n0.666667 0.333333 0.093107 C\n0.666667 0.333333 0.406893 C\n0.333333 0.666667 0.593107 C\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n",
"nsites": 14,
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"elements": [
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"Al",
"C"
],
"chemical_system": "Al-C-Dy",
"density": 5.239579897389682,
"density_atomic": 0.07903141880764815,
"volume": 177.1447382726877,
"volume_molar": 7.6199324912248905,
"formula_full": "Dy2 Al6 C6",
"formula_reduced": "Dy(AlC)3",
"formula_anonymous": "AB3C3",
"energy": -91.1195623,
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"total_magnetization": 9.3e-06,
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"updated_at": "2021-11-28T01:35:40.817000Z",
"spacegroup": 194
},
{
"id": "mp-1104802",
"created_at": "2022-09-04T14:47:25.283604Z",
"structure_string": "Cr4 Fe2 O8\n1.0\n2.951405 0.000000 0.000000\n-1.475702 4.868372 0.000000\n0.000000 0.000000 9.860233\nCr Fe O\n4 2 8\ndirect\n0.367198 0.734396 0.428128 Cr\n0.632802 0.265604 0.571872 Cr\n0.367198 0.734396 0.071872 Cr\n0.632802 0.265604 0.928128 Cr\n0.115055 0.230110 0.250000 Fe\n0.884945 0.769890 0.750000 Fe\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.462852 0.925705 0.250000 O\n0.537148 0.074295 0.750000 O\n0.268254 0.536507 0.888241 O\n0.731746 0.463493 0.111759 O\n0.268254 0.536507 0.611759 O\n0.731746 0.463493 0.388241 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cr-Fe-O",
"density": 5.2469504016122155,
"density_atomic": 0.09881623287851929,
"volume": 141.6771272510564,
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"formula_full": "Cr4 Fe2 O8",
"formula_reduced": "Cr2FeO4",
"formula_anonymous": "AB2C4",
"energy": -123.84181468,
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"updated_at": "2021-11-28T01:38:13.173000Z",
"spacegroup": 63
},
{
"id": "mp-1104800",
"created_at": "2022-09-04T14:42:43.931485Z",
"structure_string": "Sm6 Pt8\n1.0\n4.358843 -6.769368 0.000000\n4.358843 6.769368 0.000000\n-6.154118 0.000000 5.191406\nSm Pt\n6 8\ndirect\n0.973294 0.596693 0.718701 Sm\n0.718701 0.973294 0.596693 Sm\n0.596693 0.718701 0.973294 Sm\n0.026706 0.403307 0.281299 Sm\n0.281299 0.026706 0.403307 Sm\n0.403307 0.281299 0.026706 Sm\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.940362 0.777069 0.448374 Pt\n0.448374 0.940362 0.777069 Pt\n0.777069 0.448374 0.940362 Pt\n0.059638 0.222931 0.551626 Pt\n0.551626 0.059638 0.222931 Pt\n0.222931 0.551626 0.059638 Pt\n",
"nsites": 14,
"nelements": 2,
"elements": [
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"Pt"
],
"chemical_system": "Pt-Sm",
"density": 13.349024933816946,
"density_atomic": 0.04569763185762033,
"volume": 306.3616084881524,
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"formula_full": "Sm6 Pt8",
"formula_reduced": "Sm3Pt4",
"formula_anonymous": "A3B4",
"energy": -92.77612908,
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"updated_at": "2021-11-28T01:35:57.713000Z",
"spacegroup": 148
},
{
"id": "mp-1104799",
"created_at": "2022-09-04T14:42:38.768093Z",
"structure_string": "Tm2 Fe8 Si4\n1.0\n7.040117 0.000000 0.000000\n0.000000 7.040117 0.000000\n0.000000 0.000000 3.761601\nTm Fe Si\n2 8 4\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.647230 0.913843 0.500000 Fe\n0.352770 0.086157 0.500000 Fe\n0.147230 0.586157 0.000000 Fe\n0.852770 0.413843 0.000000 Fe\n0.913843 0.647230 0.500000 Fe\n0.086157 0.352770 0.500000 Fe\n0.586157 0.147230 0.000000 Fe\n0.413843 0.852770 0.000000 Fe\n0.780747 0.219253 0.500000 Si\n0.219253 0.780747 0.500000 Si\n0.280747 0.280747 0.000000 Si\n0.719253 0.719253 0.000000 Si\n",
"nsites": 14,
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"elements": [
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"Fe",
"Si"
],
"chemical_system": "Fe-Si-Tm",
"density": 7.989042618603339,
"density_atomic": 0.07509232565873496,
"volume": 186.43716088411597,
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"formula_full": "Tm2 Fe8 Si4",
"formula_reduced": "Tm(Fe2Si)2",
"formula_anonymous": "AB2C4",
"energy": -104.76143205,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:48.135000Z",
"spacegroup": 136
},
{
"id": "mp-1104798",
"created_at": "2022-09-04T14:45:39.088247Z",
"structure_string": "Th1 Al8 Cu4\n1.0\n-4.479658 4.479658 2.559270\n4.479658 -4.479658 2.559270\n4.479658 4.479658 -2.559270\nTh Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.348855 0.348855 Al\n0.000000 0.651145 0.651145 Al\n0.651145 0.000000 0.651145 Al\n0.348855 0.000000 0.348855 Al\n0.500000 0.279200 0.779200 Al\n0.500000 0.720800 0.220800 Al\n0.720800 0.500000 0.220800 Al\n0.279200 0.500000 0.779200 Al\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"Cu"
],
"chemical_system": "Al-Cu-Th",
"density": 5.6750069855075465,
"density_atomic": 0.06328161251095676,
"volume": 205.43092194038422,
"volume_molar": 9.516414833704355,
"formula_full": "Th1 Al8 Cu4",
"formula_reduced": "Th(Al2Cu)4",
"formula_anonymous": "AB4C8",
"energy": -57.44122933999999,
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"updated_at": "2021-11-28T01:37:18.139000Z",
"spacegroup": 139
},
{
"id": "mp-1104796",
"created_at": "2022-09-04T14:40:23.181072Z",
"structure_string": "Tb1 Mn4 Al8\n1.0\n0.000000 0.000000 5.150935\n-4.394372 4.394372 2.575467\n-4.394372 -4.394372 2.575467\nTb Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.336664 0.663336 Al\n0.000000 0.663336 0.336664 Al\n0.663336 0.336664 0.336664 Al\n0.336664 0.663336 0.663336 Al\n0.500000 0.774746 0.225254 Al\n0.500000 0.225254 0.774746 Al\n0.725254 0.774746 0.774746 Al\n0.274746 0.225254 0.225254 Al\n",
"nsites": 13,
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"density": 4.96264319069652,
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"volume": 198.93431497101827,
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"formula_full": "Tb1 Mn4 Al8",
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"updated_at": "2021-11-28T01:34:52.633000Z",
"spacegroup": 139
},
{
"id": "mp-1104795",
"created_at": "2022-09-04T14:43:53.494313Z",
"structure_string": "Sb14\n1.0\n8.392959 2.843163 -1.927046\n2.694852 10.404804 0.693580\n-1.110394 0.759876 6.399878\nSb\n14\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.284067 0.542156 0.363733 Sb\n0.715933 0.457844 0.636267 Sb\n0.914738 0.775226 0.917330 Sb\n0.085262 0.224774 0.082670 Sb\n0.847196 0.169966 0.320305 Sb\n0.152804 0.830034 0.679695 Sb\n0.652991 0.677199 0.880534 Sb\n0.347009 0.322801 0.119466 Sb\n0.831888 0.835804 0.363046 Sb\n0.168112 0.164196 0.636953 Sb\n",
"nsites": 14,
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"formula_full": "Sb14",
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"updated_at": "2021-11-28T01:36:16.690000Z",
"spacegroup": 2
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{
"id": "mp-1104794",
"created_at": "2022-09-04T14:40:06.350725Z",
"structure_string": "Yb4 Fe3 B6\n1.0\n-2.765962 -4.790788 0.000000\n2.765962 -4.790788 0.000000\n0.000000 -3.193858 7.363041\nYb Fe B\n4 3 6\ndirect\n0.237147 0.237147 0.288558 Yb\n0.762853 0.762853 0.711442 Yb\n0.425587 0.425587 0.723239 Yb\n0.574413 0.574413 0.276761 Yb\n0.000000 0.000000 0.000000 Fe\n0.105823 0.105823 0.682531 Fe\n0.894177 0.894177 0.317469 Fe\n0.646072 0.353928 0.000000 B\n0.353928 0.000000 0.000000 B\n0.000000 0.646072 0.000000 B\n0.646072 0.000000 0.000000 B\n0.000000 0.353928 0.000000 B\n0.353928 0.646072 0.000000 B\n",
"nsites": 13,
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"elements": [
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"density": 7.867636576067397,
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"volume": 195.1373382732124,
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"formula_full": "Yb4 Fe3 B6",
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"formula_anonymous": "A3B4C6",
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"spacegroup": 166
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{
"id": "mp-1104792",
"created_at": "2022-09-04T14:39:41.890811Z",
"structure_string": "Mn1 Be12\n1.0\n-3.577728 3.577728 2.049211\n3.577728 -3.577728 2.049211\n3.577728 3.577728 -2.049211\nMn Be\n1 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.346426 0.346426 Be\n0.000000 0.653574 0.653574 Be\n0.653574 0.000000 0.653574 Be\n0.346426 0.000000 0.346426 Be\n0.500000 0.290087 0.790087 Be\n0.500000 0.709913 0.209913 Be\n0.709913 0.500000 0.209913 Be\n0.290087 0.500000 0.790087 Be\n",
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"formula_full": "Mn1 Be12",
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{
"id": "mp-1104791",
"created_at": "2022-09-04T14:43:04.956910Z",
"structure_string": "Li1 Mg8 Si4\n1.0\n6.413323 0.000000 0.000000\n0.000000 6.413323 0.000000\n0.000000 0.000000 6.413323\nLi Mg Si\n1 8 4\ndirect\n0.500000 0.500000 0.500000 Li\n0.244732 0.755268 0.755268 Mg\n0.755268 0.244732 0.755268 Mg\n0.755268 0.755268 0.244732 Mg\n0.244732 0.244732 0.244732 Mg\n0.244732 0.755268 0.244732 Mg\n0.755268 0.244732 0.244732 Mg\n0.755268 0.755268 0.755268 Mg\n0.244732 0.244732 0.755268 Mg\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n",
"nsites": 13,
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"elements": [
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"volume": 263.7845406495804,
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"formula_full": "Li1 Mg8 Si4",
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"updated_at": "2021-11-28T01:35:56.157000Z",
"spacegroup": 221
}
]
}