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{
"id": "jvasp-99620",
"created_at": "2022-09-04T14:36:33.696518Z",
"updated_at": "2022-09-04T14:36:33.696536Z",
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{
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{
"id": "jvasp-34270",
"created_at": "2022-09-04T14:36:33.557237Z",
"updated_at": "2022-09-04T14:36:33.557253Z",
"structure_string": "Pb2 C2 Cl2 O4\n1.0\n4.172651 -0.009439 0.282658\n0.022388 4.172627 0.282582\n0.025049 0.024687 9.445239\nPb C Cl O\n2 2 2 4\ndirect\n0.780772 0.780786 0.777339 Pb\n0.219228 0.219215 0.222661 Pb\n0.631814 0.368185 0.500001 C\n0.368187 0.631814 0.499999 C\n0.729496 0.729490 0.114440 Cl\n0.270505 0.270511 0.885560 Cl\n0.328024 0.789749 0.609491 O\n0.210251 0.671980 0.390510 O\n0.789749 0.328021 0.609490 O\n0.671976 0.210252 0.390510 O\n",
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],
"chemical_system": "C-Cl-O-Pb",
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"volume": 164.39369803710682,
"volume_molar": 9.900019896363931,
"formula_full": "Pb2 C2 Cl2 O4",
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"spacegroup": 12
},
{
"id": "jvasp-109365",
"created_at": "2022-09-04T14:38:20.480281Z",
"updated_at": "2022-09-04T14:38:20.480306Z",
"structure_string": "Sm1 Zn1 Ag1 As2\n1.0\n4.293543 -0.000000 0.000000\n-2.146771 3.718318 0.000000\n0.000000 0.000000 6.921149\nSm Zn Ag As\n1 1 1 2\ndirect\n0.000000 0.000000 0.985545 Sm\n0.666666 0.333334 0.375923 Zn\n0.333333 0.666667 0.635171 Ag\n0.333333 0.666667 0.242976 As\n0.666666 0.333334 0.760385 As\n",
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"As"
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"density_atomic": 0.045251133221049934,
"volume": 110.49447039425962,
"volume_molar": 13.308265078317682,
"formula_full": "Sm1 Zn1 Ag1 As2",
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"spacegroup": 156
},
{
"id": "jvasp-108765",
"created_at": "2022-09-04T14:38:20.708347Z",
"updated_at": "2022-09-04T14:38:20.708367Z",
"structure_string": "La1 Mn1 Cu1 Ge2\n1.0\n3.944465 -0.019823 -4.587813\n-0.557188 3.904964 -4.587813\n0.017283 0.019823 6.050334\nLa Mn Cu Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.249999 0.749999 0.499999 Mn\n0.750000 0.250000 0.500000 Cu\n0.625188 0.625188 0.000001 Ge\n0.374812 0.374812 0.000001 Ge\n",
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"spacegroup": 119
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{
"id": "jvasp-29431",
"created_at": "2022-09-04T14:37:58.167097Z",
"updated_at": "2022-09-04T14:37:58.167129Z",
"structure_string": "Cd4 Sb4 S8 Cl4\n1.0\n3.955727 0.000000 0.000000\n-0.000000 9.587592 0.000000\n0.000000 0.000000 12.573216\nCd Sb S Cl\n4 4 8 4\ndirect\n0.750001 0.000188 0.269140 Cd\n0.250000 0.499812 0.769140 Cd\n0.250000 -0.000188 0.730860 Cd\n0.750001 0.500188 0.230860 Cd\n0.750001 0.812576 0.969930 Sb\n0.750001 0.312576 0.530070 Sb\n0.250000 0.187424 0.030070 Sb\n0.250000 0.687423 0.469930 Sb\n0.750001 0.741238 0.332996 S\n0.250000 0.258762 0.667004 S\n0.250000 0.946881 0.110406 S\n0.250000 0.758762 0.832996 S\n0.750001 0.053119 0.889594 S\n0.250000 0.446881 0.389594 S\n0.750001 0.241238 0.167004 S\n0.750001 0.553119 0.610406 S\n0.750001 0.426241 0.896070 Cl\n0.250000 0.073759 0.396070 Cl\n0.250000 0.573759 0.103930 Cl\n0.750001 0.926241 0.603931 Cl\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.648933518622831,
"density_atomic": 0.04194186742736233,
"volume": 476.8504891833276,
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{
"id": "jvasp-103106",
"created_at": "2022-09-04T14:36:33.226729Z",
"updated_at": "2022-09-04T14:36:33.226756Z",
"structure_string": "Dy1 Mn2 Si1 Ge1\n1.0\n3.696509 0.003197 -4.677054\n-0.443796 3.669773 -4.677054\n-0.002831 -0.003197 5.961460\nDy Mn Si Ge\n1 2 1 1\ndirect\n0.997431 0.997431 0.000000 Dy\n0.753862 0.253862 0.500001 Mn\n0.253861 0.753861 0.499999 Mn\n0.377289 0.377289 0.000000 Si\n0.617554 0.617555 0.000000 Ge\n",
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],
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"volume": 80.76728693903034,
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"formula_full": "Dy1 Mn2 Si1 Ge1",
"formula_reduced": "DyMn2SiGe",
"formula_anonymous": "ABCD2",
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"spacegroup": 107
},
{
"id": "jvasp-103727",
"created_at": "2022-09-04T14:36:39.959253Z",
"updated_at": "2022-09-04T14:36:39.959271Z",
"structure_string": "Ba1 Bi1 Br1 O2\n1.0\n3.908774 -0.048238 -6.295776\n-0.358782 3.892572 -6.295776\n0.044544 0.048238 7.410353\nBa Bi Br O\n1 1 1 2\ndirect\n0.857764 0.857764 -0.000002 Ba\n0.168485 0.168485 -0.000000 Bi\n0.494895 0.494895 -0.000001 Br\n0.739427 0.239428 0.499998 O\n0.239427 0.739428 0.499999 O\n",
"nsites": 5,
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"spacegroup": 107
},
{
"id": "jvasp-105529",
"created_at": "2022-09-04T14:36:49.796391Z",
"updated_at": "2022-09-04T14:36:49.796402Z",
"structure_string": "Ce1 Zn1 Ag1 As2\n1.0\n4.335312 0.000000 0.000000\n-2.167656 3.754490 0.000000\n-0.000000 0.000000 6.913921\nCe Zn Ag As\n1 1 1 2\ndirect\n0.333333 0.666667 0.990086 Ce\n0.000000 0.000000 0.373569 Zn\n0.666666 0.333333 0.637708 Ag\n0.666666 0.333333 0.243298 As\n0.000000 0.000000 0.755341 As\n",
"nsites": 5,
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{
"id": "jvasp-108927",
"created_at": "2022-09-04T14:38:27.576315Z",
"updated_at": "2022-09-04T14:38:27.576337Z",
"structure_string": "Na1 Li1 Cd1 S2\n1.0\n4.124134 -0.000000 0.000000\n-2.062066 3.571605 0.000000\n-0.000000 -0.000000 6.986526\nNa Li Cd S\n1 1 1 2\ndirect\n0.333333 0.666668 0.975285 Na\n0.666666 0.333334 0.671314 Li\n0.000000 0.000000 0.378927 Cd\n0.666666 0.333334 0.233486 S\n0.000000 0.000000 0.740989 S\n",
"nsites": 5,
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{
"id": "jvasp-99438",
"created_at": "2022-09-04T14:36:30.965237Z",
"updated_at": "2022-09-04T14:36:30.965256Z",
"structure_string": "Tm2 Fe4 Si2 C2\n1.0\n5.534440 -0.004007 0.000000\n-4.305105 3.477947 0.000000\n0.000000 -0.000000 6.704080\nTm Fe Si C\n2 4 2 2\ndirect\n0.549117 0.450883 0.250000 Tm\n0.450884 0.549117 0.750000 Tm\n0.835093 0.164906 0.061122 Fe\n0.164907 0.835094 0.938878 Fe\n0.164907 0.835094 0.561122 Fe\n0.835093 0.164906 0.438878 Fe\n0.269550 0.730451 0.250000 Si\n0.730451 0.269548 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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{
"id": "jvasp-56458",
"created_at": "2022-09-04T14:37:39.321331Z",
"updated_at": "2022-09-04T14:37:39.321347Z",
"structure_string": "Ba4 Ga2 Ge2 N2\n1.0\n0.000000 7.286317 0.004337\n4.224644 0.000000 0.000000\n0.000000 -3.032424 -8.872536\nBa Ga Ge N\n4 2 2 2\ndirect\n0.809661 0.749999 0.617906 Ba\n0.794539 0.749999 0.037725 Ba\n0.190340 0.250000 0.382094 Ba\n0.205462 0.250000 0.962276 Ba\n0.538146 0.250000 0.753935 Ga\n0.461855 0.749999 0.246065 Ga\n0.663818 0.250000 0.298639 Ge\n0.336182 0.749999 0.701362 Ge\n0.815195 0.250000 0.828312 N\n0.184806 0.749999 0.171688 N\n",
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}