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{
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{
"id": "mp-1214412",
"created_at": "2022-09-04T14:40:57.977331Z",
"structure_string": "Ba8 Rh2\n1.0\n-6.584167 -6.584167 0.000000\n-6.584167 0.000000 -6.584167\n0.000000 -6.584167 -6.584167\nBa Rh\n8 2\ndirect\n0.623874 0.623874 0.623874 Ba\n0.128377 0.623874 0.623874 Ba\n0.623874 0.128377 0.623874 Ba\n0.621623 0.126126 0.126126 Ba\n0.126126 0.126126 0.126126 Ba\n0.623874 0.623874 0.128377 Ba\n0.126126 0.621623 0.126126 Ba\n0.126126 0.126126 0.621623 Ba\n0.000000 0.000000 0.000000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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"formula_full": "Mg12 Zn2 Cu2",
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{
"id": "mp-1071260",
"created_at": "2022-09-04T14:42:06.656699Z",
"structure_string": "La2 Sn2 Au2\n1.0\n2.405617 -4.166650 0.000000\n2.405617 4.166650 0.000000\n0.000000 0.000000 7.934197\nLa Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.695788 La\n0.000000 0.000000 0.195788 La\n0.333333 0.666667 0.418065 Sn\n0.666667 0.333333 0.918065 Sn\n0.666667 0.333333 0.492977 Au\n0.333333 0.666667 0.992977 Au\n",
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"elements": [
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"density": 9.49171927255506,
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"formula_full": "La2 Sn2 Au2",
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"updated_at": "2021-11-28T01:35:36.203000Z",
"spacegroup": 186
},
{
"id": "mp-1183112",
"created_at": "2022-09-04T14:39:13.819622Z",
"structure_string": "Ac6 Ag2\n1.0\n3.867725 -6.699097 0.000000\n3.867725 6.699097 0.000000\n0.000000 0.000000 5.747898\nAc Ag\n6 2\ndirect\n0.175212 0.350423 0.250000 Ac\n0.649577 0.824788 0.250000 Ac\n0.175212 0.824788 0.250000 Ac\n0.824788 0.649577 0.750000 Ac\n0.350423 0.175212 0.750000 Ac\n0.824788 0.175212 0.750000 Ac\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
"nsites": 8,
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"density": 8.795745210236547,
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"volume": 297.8591201059116,
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"formula_full": "Ac6 Ag2",
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"spacegroup": 194
},
{
"id": "mp-21135",
"created_at": "2022-09-04T14:46:10.041142Z",
"structure_string": "Pr3 In1 O1\n1.0\n5.033320 0.000000 0.000000\n0.000000 5.033320 0.000000\n0.000000 0.000000 5.033320\nPr In O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 O\n",
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"elements": [
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"density_atomic": 0.039210860931034486,
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"formula_full": "Pr3 In1 O1",
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"updated_at": "2021-11-28T01:37:19.987000Z",
"spacegroup": 221
},
{
"id": "mp-1028150",
"created_at": "2022-09-04T14:43:24.052997Z",
"structure_string": "Ca1 Mg14 Sb1\n1.0\n6.543241 0.113896 0.000000\n-3.172984 5.495768 0.000000\n0.000000 0.000000 10.498633\nCa Mg Sb\n1 14 1\ndirect\n0.162570 0.331285 0.125000 Ca\n0.164960 0.332480 0.625000 Mg\n0.161659 0.830829 0.625000 Mg\n0.663498 0.327748 0.125000 Mg\n0.665952 0.335395 0.625000 Mg\n0.663498 0.835749 0.125000 Mg\n0.665952 0.830556 0.625000 Mg\n0.338436 0.168250 0.385547 Mg\n0.338436 0.168250 0.864453 Mg\n0.338436 0.670187 0.385547 Mg\n0.338436 0.670187 0.864453 Mg\n0.829383 0.164692 0.383518 Mg\n0.829383 0.164692 0.866482 Mg\n0.830371 0.665186 0.373736 Mg\n0.830371 0.665186 0.876264 Mg\n0.178657 0.839328 0.125000 Sb\n",
"nsites": 16,
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"elements": [
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"Mg",
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],
"chemical_system": "Ca-Mg-Sb",
"density": 2.1864996551554094,
"density_atomic": 0.0419588094978378,
"volume": 381.3263577181451,
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"formula_full": "Ca1 Mg14 Sb1",
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"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:36:16.931000Z",
"spacegroup": 38
},
{
"id": "mp-1112911",
"created_at": "2022-09-04T14:46:10.958702Z",
"structure_string": "Cs2 Hg1 As1 Br6\n1.0\n0.000000 5.668078 5.668078\n5.668078 0.000000 5.668078\n5.668078 5.668078 0.000000\nCs Hg As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.762418 0.237582 0.237582 Br\n0.237582 0.237582 0.762418 Br\n0.237582 0.762418 0.762418 Br\n0.237582 0.762418 0.237582 Br\n0.762418 0.237582 0.762418 Br\n0.762418 0.762418 0.237582 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.654033967753114,
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"volume": 364.1979105437377,
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"formula_full": "Cs2 Hg1 As1 Br6",
"formula_reduced": "Cs2HgAsBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "mp-568993",
"created_at": "2022-09-04T14:41:11.142110Z",
"structure_string": "Pr1 Ni2 As2\n1.0\n-2.057979 2.057979 5.051684\n2.057979 -2.057979 5.051684\n2.057979 2.057979 -5.051684\nPr Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.367005 0.367005 0.000000 As\n0.632995 0.632995 0.000000 As\n",
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"formula_full": "Pr1 Ni2 As2",
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"spacegroup": 139
},
{
"id": "mp-1224853",
"created_at": "2022-09-04T14:39:08.200951Z",
"structure_string": "Ga2 Ag2 Te2 Se2\n1.0\n-3.101784 3.146467 5.865309\n3.101784 -3.146467 5.865309\n3.101784 3.146467 -5.865309\nGa Ag Te Se\n2 2 2 2\ndirect\n0.134230 0.884230 0.250000 Ga\n0.365770 0.615770 0.750000 Ga\n0.629652 0.379652 0.250000 Ag\n0.870348 0.120348 0.750000 Ag\n0.250000 0.518021 0.268021 Te\n0.750000 0.981979 0.231979 Te\n0.469364 0.250000 0.719364 Se\n0.030636 0.750000 0.780636 Se\n",
"nsites": 8,
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{
"id": "mp-1111734",
"created_at": "2022-09-04T14:44:57.955075Z",
"structure_string": "Rb2 Ag1 Au1 Br6\n1.0\n0.000000 5.443991 5.443991\n5.443991 0.000000 5.443991\n5.443991 5.443991 0.000000\nRb Ag Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.752374 0.247626 0.247626 Br\n0.247626 0.247626 0.752374 Br\n0.247626 0.752374 0.752374 Br\n0.247626 0.752374 0.247626 Br\n0.752374 0.247626 0.752374 Br\n0.752374 0.752374 0.247626 Br\n",
"nsites": 10,
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"formula_full": "Rb2 Ag1 Au1 Br6",
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"updated_at": "2021-11-28T01:36:43.143000Z",
"spacegroup": 225
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{
"id": "mp-1114026",
"created_at": "2022-09-04T14:43:42.482518Z",
"structure_string": "Rb2 Na1 Au1 Br6\n1.0\n0.000000 5.557169 5.557169\n5.557169 0.000000 5.557169\n5.557169 5.557169 0.000000\nRb Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.760253 0.239747 0.239747 Br\n0.239747 0.239747 0.760253 Br\n0.239747 0.760253 0.760253 Br\n0.239747 0.760253 0.239747 Br\n0.760253 0.239747 0.760253 Br\n0.760253 0.760253 0.239747 Br\n",
"nsites": 10,
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"elements": [
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],
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"volume": 343.2344009107765,
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"formula_full": "Rb2 Na1 Au1 Br6",
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{
"id": "mp-983152",
"created_at": "2022-09-04T14:46:58.081775Z",
"structure_string": "Li6 Re2\n1.0\n2.707558 -4.689629 0.000000\n2.707558 4.689629 0.000000\n0.000000 0.000000 4.517163\nLi Re\n6 2\ndirect\n0.169600 0.339199 0.250000 Li\n0.660801 0.830400 0.250000 Li\n0.169600 0.830400 0.250000 Li\n0.830400 0.660801 0.750000 Li\n0.339199 0.169600 0.750000 Li\n0.830400 0.169600 0.750000 Li\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n",
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]
}