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{
"id": "jvasp-101396",
"created_at": "2022-09-04T14:36:32.842585Z",
"updated_at": "2022-09-04T14:36:32.842611Z",
"structure_string": "Er2 Ga6\n1.0\n6.233400 -0.000000 0.000000\n-3.116701 5.398283 0.000000\n-0.000000 0.000000 4.516705\nEr Ga\n2 6\ndirect\n0.333333 0.666667 0.750001 Er\n0.666667 0.333333 0.250000 Er\n0.149946 0.299890 0.250000 Ga\n0.700110 0.850054 0.250000 Ga\n0.149945 0.850054 0.250000 Ga\n0.850054 0.700109 0.750001 Ga\n0.299890 0.149946 0.750001 Ga\n0.850054 0.149946 0.750001 Ga\n",
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{
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"structure_string": "Mn6 As2\n1.0\n3.461756 0.000000 -0.804980\n-0.000000 3.560715 -0.000000\n0.001445 -0.000000 7.852209\nMn As\n6 2\ndirect\n0.947239 0.250000 0.894477 Mn\n0.052761 0.749999 0.105523 Mn\n0.550758 0.250000 0.101516 Mn\n0.449241 0.749999 0.898484 Mn\n0.314937 0.250000 0.629874 Mn\n0.685063 0.749999 0.370126 Mn\n0.162606 0.250000 0.325214 As\n0.837394 0.749999 0.674786 As\n",
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{
"id": "jvasp-14332",
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"structure_string": "Mn6 As2\n1.0\n3.461756 -0.000000 -0.804980\n0.000000 3.560710 -0.000000\n0.001444 0.000000 7.852207\nMn As\n6 2\ndirect\n0.947239 0.250000 0.894478 Mn\n0.052760 0.750000 0.105522 Mn\n0.550758 0.250000 0.101514 Mn\n0.449242 0.750000 0.898486 Mn\n0.314936 0.250000 0.629872 Mn\n0.685064 0.750000 0.370129 Mn\n0.162606 0.250000 0.325214 As\n0.837394 0.750000 0.674787 As\n",
"nsites": 8,
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"formula_full": "Mn6 As2",
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"spacegroup": 63
},
{
"id": "jvasp-106243",
"created_at": "2022-09-04T14:38:39.929510Z",
"updated_at": "2022-09-04T14:38:39.929526Z",
"structure_string": "Er2 Al1 Cd1\n1.0\n4.445900 0.000000 2.566841\n1.481966 4.191634 2.566841\n0.000000 0.000000 5.133682\nEr Al Cd\n2 1 1\ndirect\n0.750001 0.749999 0.749999 Er\n0.250000 0.250000 0.250000 Er\n0.500001 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 8.22571117194844,
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"volume": 95.6691703572594,
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"formula_full": "Er2 Al1 Cd1",
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"spacegroup": 225
},
{
"id": "jvasp-96928",
"created_at": "2022-09-04T14:35:45.354151Z",
"updated_at": "2022-09-04T14:35:45.354174Z",
"structure_string": "Ce3 Ag4 Sn4\n1.0\n4.533947 -0.000021 -1.235423\n-0.828074 6.646760 -3.039431\n-0.012634 -0.004951 8.892632\nCe Ag Sn\n3 4 4\ndirect\n0.000000 0.500000 0.000000 Ce\n0.128919 0.129002 0.257839 Ce\n0.871083 0.870999 0.742162 Ce\n0.329904 0.525260 0.659874 Ag\n0.670099 0.474741 0.340126 Ag\n0.670247 0.865614 0.340412 Ag\n0.329755 0.134386 0.659589 Ag\n0.214465 0.714310 0.428866 Sn\n0.785538 0.285690 0.571135 Sn\n0.499967 0.197114 0.999883 Sn\n0.500035 0.802886 0.000118 Sn\n",
"nsites": 11,
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"elements": [
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"density": 8.225825377101627,
"density_atomic": 0.041073638518395614,
"volume": 267.8116767053262,
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"formula_full": "Ce3 Ag4 Sn4",
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"spacegroup": 71
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{
"id": "jvasp-37795",
"created_at": "2022-09-04T14:38:11.088661Z",
"updated_at": "2022-09-04T14:38:11.088689Z",
"structure_string": "Pm1 Dy1 In2\n1.0\n-0.000378 3.784535 3.784535\n3.784535 -0.000378 3.784535\n3.784535 3.784535 -0.000378\nPm Dy In\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.249999 0.249999 0.249999 Dy\n0.000006 0.000006 0.000006 In\n0.499997 0.499997 0.499997 In\n",
"nsites": 4,
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"formula_full": "Pm1 Dy1 In2",
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"spacegroup": 225
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{
"id": "jvasp-41694",
"created_at": "2022-09-04T14:37:43.386002Z",
"updated_at": "2022-09-04T14:37:43.386022Z",
"structure_string": "Li2 Ho1 Tl1\n1.0\n0.000000 3.381688 3.381688\n3.381688 -0.000000 3.381688\n3.381688 3.381688 0.000000\nLi Ho Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ho\n0.750001 0.750001 0.750001 Tl\n",
"nsites": 4,
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"elements": [
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"Ho",
"Tl"
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"density": 8.22695324149665,
"density_atomic": 0.051716531064058,
"volume": 77.34470811751571,
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"formula_full": "Li2 Ho1 Tl1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-41328",
"created_at": "2022-09-04T14:37:51.010477Z",
"updated_at": "2022-09-04T14:37:51.010491Z",
"structure_string": "Lu4 Mg2 Ge4\n1.0\n7.114191 0.000000 0.000000\n0.000000 7.114191 -0.000000\n0.000000 -0.000000 4.143678\nLu Mg Ge\n4 2 4\ndirect\n0.176634 0.323366 0.500000 Lu\n0.323366 0.823366 0.500000 Lu\n0.676634 0.176634 0.500000 Lu\n0.823366 0.676634 0.500000 Lu\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.126074 0.626074 0.000000 Ge\n0.373926 0.126074 0.000000 Ge\n0.626074 0.873925 0.000000 Ge\n0.873925 0.373926 0.000000 Ge\n",
"nsites": 10,
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"elements": [
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"Ge"
],
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"density": 8.227037695683554,
"density_atomic": 0.047682932730423615,
"volume": 209.71864412231508,
"volume_molar": 12.629551949009281,
"formula_full": "Lu4 Mg2 Ge4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-8750",
"created_at": "2022-09-04T14:37:12.713995Z",
"updated_at": "2022-09-04T14:37:12.714021Z",
"structure_string": "V1 Sb1 Ru1\n1.0\n3.702512 0.000000 2.137646\n1.234171 3.490762 2.137646\n-0.000000 -0.000000 4.275293\nV Sb Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500001 Sb\n0.250000 0.250000 0.250000 Ru\n",
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"volume": 55.25640143430648,
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"formula_full": "V1 Sb1 Ru1",
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"spacegroup": 216
},
{
"id": "jvasp-87115",
"created_at": "2022-09-04T14:36:10.251329Z",
"updated_at": "2022-09-04T14:36:10.251356Z",
"structure_string": "Pr2 Fe17\n1.0\n6.287299 0.030509 0.788304\n0.699403 6.248352 0.788304\n0.033948 0.030509 6.336435\nPr Fe\n2 17\ndirect\n0.344903 0.344903 0.344903 Pr\n0.655097 0.655097 0.655095 Pr\n0.849037 0.334440 0.334439 Fe\n0.150963 0.665560 0.665559 Fe\n0.665559 0.665560 0.150963 Fe\n0.665560 0.150964 0.665559 Fe\n0.285321 1.000000 0.714677 Fe\n-0.000000 0.714679 0.285321 Fe\n0.714679 0.285321 -0.000001 Fe\n0.334441 0.334440 0.849035 Fe\n0.285321 0.714679 0.999999 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909004 0.909004 0.909002 Fe\n0.090996 0.090996 0.090996 Fe\n0.334440 0.849036 0.334439 Fe\n1.000000 0.285321 0.714677 Fe\n0.714679 0.000000 0.285320 Fe\n",
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"density": 8.227303140779242,
"density_atomic": 0.07646106541142754,
"volume": 248.49248304039907,
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"formula_full": "Pr2 Fe17",
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{
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"created_at": "2022-09-04T14:38:13.640859Z",
"updated_at": "2022-09-04T14:38:13.640886Z",
"structure_string": "Nb1 W3 Se8\n1.0\n1.852060 2.816648 13.090757\n-1.512185 3.012727 -13.090747\n-1.851443 -2.816643 13.090668\nNb W Se\n1 3 8\ndirect\n0.049453 0.674483 0.375029 Nb\n0.458445 0.333438 0.124964 W\n0.534081 0.659106 0.875025 W\n0.958474 0.333438 0.624993 W\n0.640565 0.328967 0.311595 Se\n0.228048 0.666669 0.561342 Se\n0.355443 0.666776 0.688587 Se\n0.767379 0.329024 0.438452 Se\n0.146369 0.337293 0.809064 Se\n0.728198 0.666806 0.061354 Se\n0.855319 0.666639 0.188600 Se\n0.278234 0.337358 0.940984 Se\n",
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{
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"structure_string": "Pr2 Fe17\n1.0\n6.287186 0.030224 0.787971\n0.699108 6.248270 0.787971\n0.033631 0.030224 6.336283\nPr Fe\n2 17\ndirect\n0.344923 0.344922 0.344923 Pr\n0.655078 0.655076 0.655076 Pr\n0.849062 0.334426 0.334427 Fe\n0.150939 0.665572 0.665573 Fe\n0.665574 0.665572 0.150938 Fe\n0.665573 0.150938 0.665573 Fe\n0.285332 -0.000001 0.714668 Fe\n0.000000 0.714668 0.285332 Fe\n0.714669 0.285332 -0.000000 Fe\n0.334427 0.334426 0.849061 Fe\n0.285332 0.714668 -0.000000 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.909006 0.909004 0.909004 Fe\n0.090995 0.090995 0.090995 Fe\n0.334427 0.849061 0.334427 Fe\n0.000000 0.285332 0.714668 Fe\n0.714668 -0.000001 0.285332 Fe\n",
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