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{
"id": "mp-1235127",
"created_at": "2022-09-04T14:42:51.913397Z",
"structure_string": "Li1 P4 Br12 O4\n1.0\n6.668792 0.311456 0.087686\n0.502524 10.313801 -0.110348\n0.146453 -0.114600 10.571486\nLi P Br O\n1 4 12 4\ndirect\n0.818294 0.389955 0.036299 Li\n0.381424 0.310755 0.240808 P\n0.607696 0.684294 0.744809 P\n0.879919 0.192456 0.747246 P\n0.107206 0.815765 0.242759 P\n0.804755 0.642360 0.577537 Br\n0.877235 0.982898 0.249493 Br\n0.294871 0.843410 0.407895 Br\n0.682020 0.167197 0.917123 Br\n0.207659 0.346645 0.433243 Br\n0.809628 0.651969 0.908345 Br\n0.410299 0.526752 0.752256 Br\n0.692029 0.155482 0.586637 Br\n0.112123 0.028330 0.747677 Br\n0.185853 0.336023 0.032159 Br\n0.304948 0.848399 0.078948 Br\n0.618513 0.475188 0.230988 Br\n0.499892 0.816105 0.749194 O\n0.954730 0.322628 0.750671 O\n0.498917 0.180916 0.233961 O\n0.022822 0.688725 0.238348 O\n",
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"nsites": 34,
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"elements": [
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"chemical_system": "Ca-In-N",
"density": 3.669140127563676,
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"formula_full": "Ca19 In8 N7",
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"energy": -144.43056713,
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"spacegroup": 225
},
{
"id": "mp-1206647",
"created_at": "2022-09-04T14:46:27.377167Z",
"structure_string": "Ni1 Sn2 Au1\n1.0\n-1.802131 -3.121382 0.000000\n-1.802131 3.121382 0.000000\n0.000000 0.000000 -7.368016\nNi Sn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.778396 Sn\n0.333333 0.666667 0.221604 Sn\n0.666667 0.333333 0.500000 Au\n",
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"formula_full": "Ni1 Sn2 Au1",
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"updated_at": "2021-11-28T01:37:40.428000Z",
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{
"id": "mp-974729",
"created_at": "2022-09-04T14:48:13.392341Z",
"structure_string": "Nd1 Al8 Cu4\n1.0\n-4.450648 4.450648 2.599559\n4.450648 -4.450648 2.599559\n4.450648 4.450648 -2.599559\nNd Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.278778 0.500000 0.778778 Al\n0.500000 0.721222 0.221222 Al\n0.651060 0.000000 0.651060 Al\n0.000000 0.348940 0.348940 Al\n0.000000 0.651060 0.651060 Al\n0.348940 0.000000 0.348940 Al\n0.721222 0.500000 0.221222 Al\n0.500000 0.278778 0.778778 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",
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"volume": 205.9710414629201,
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"formula_full": "Nd1 Al8 Cu4",
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"spacegroup": 139
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{
"id": "mp-14091",
"created_at": "2022-09-04T14:39:15.918224Z",
"structure_string": "Al2 Ag2 Se4\n1.0\n-3.021358 3.021358 5.557863\n3.021358 -3.021358 5.557863\n3.021358 3.021358 -5.557863\nAl Ag Se\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Ag\n0.588875 0.625000 0.463875 Se\n0.375000 0.838875 0.963875 Se\n0.161125 0.125000 0.536125 Se\n0.875000 0.411125 0.036125 Se\n",
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"formula_full": "Al2 Ag2 Se4",
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"formula_anonymous": "ABC2",
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{
"id": "mp-542568",
"created_at": "2022-09-04T14:42:21.202917Z",
"structure_string": "Eu1 Ag5\n1.0\n2.863547 -4.959810 0.000000\n2.863547 4.959810 0.000000\n0.000000 0.000000 4.696666\nEu Ag\n1 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.333333 0.666667 0.000000 Ag\n0.666667 0.333333 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n",
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"density": 8.60458179832466,
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"formula_full": "Eu1 Ag5",
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{
"id": "mp-1186745",
"created_at": "2022-09-04T14:47:56.614033Z",
"structure_string": "Pr5 Mg1\n1.0\n6.071536 -3.193971 0.000000\n6.071536 3.193971 0.000000\n4.391327 0.000000 5.270792\nPr Mg\n5 1\ndirect\n0.134732 0.865268 0.500000 Pr\n0.500000 0.134732 0.865268 Pr\n0.865268 0.500000 0.134732 Pr\n0.660266 0.660266 0.660266 Pr\n0.339734 0.339734 0.339734 Pr\n0.000000 0.000000 0.000000 Mg\n",
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"density": 5.920355923875324,
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"volume": 204.4256638645628,
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{
"id": "mp-1113595",
"created_at": "2022-09-04T14:46:04.211345Z",
"structure_string": "Cs2 Er1 Ag1 Cl6\n1.0\n0.000000 5.409623 5.409623\n5.409623 0.000000 5.409623\n5.409623 5.409623 0.000000\nCs Er Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Ag\n0.757526 0.242474 0.242474 Cl\n0.242474 0.242474 0.757526 Cl\n0.242474 0.757526 0.757526 Cl\n0.242474 0.757526 0.242474 Cl\n0.757526 0.242474 0.757526 Cl\n0.757526 0.757526 0.242474 Cl\n",
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{
"id": "mp-697593",
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"formula_full": "Te28 W4 Cl20 O4",
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{
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