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{
"id": "jvasp-14920",
"created_at": "2022-09-04T14:35:51.696725Z",
"updated_at": "2022-09-04T14:35:51.696741Z",
"structure_string": "Li2 Nd1 As2\n1.0\n2.133431 -3.695211 0.000000\n2.133431 3.695211 0.000000\n-0.000000 -0.000000 7.007083\nLi Nd As\n2 1 2\ndirect\n0.666667 0.333333 0.377051 Li\n0.333333 0.666667 0.622949 Li\n0.000000 0.000000 0.000000 Nd\n0.666667 0.333333 0.753681 As\n0.333333 0.666667 0.246319 As\n",
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{
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"created_at": "2022-09-04T14:36:01.519424Z",
"updated_at": "2022-09-04T14:36:01.519450Z",
"structure_string": "Tm1 Si2 Pt2\n1.0\n3.936675 0.000000 -1.517729\n-0.585138 3.892945 -1.517729\n-0.065176 -0.075704 5.695274\nTm Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.619129 0.619130 0.238258 Si\n0.380871 0.380872 0.761741 Si\n0.250000 0.750001 0.500000 Pt\n0.750000 0.250001 0.500000 Pt\n",
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"elements": [
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"volume": 86.37691442460557,
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"formula_full": "Tm1 Si2 Pt2",
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{
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"updated_at": "2022-09-04T14:35:54.044779Z",
"structure_string": "Er2 Se1 O2\n1.0\n1.895237 -3.282647 0.000000\n1.895237 3.282647 0.000000\n0.000000 0.000000 6.749775\nEr Se O\n2 1 2\ndirect\n0.666668 0.333334 0.709032 Er\n0.333334 0.666668 0.290967 Er\n0.000000 0.000000 0.000000 Se\n0.666668 0.333334 0.374172 O\n0.333334 0.666668 0.625828 O\n",
"nsites": 5,
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"elements": [
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],
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"density_atomic": 0.05953371757920875,
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"formula_full": "Er2 Se1 O2",
"formula_reduced": "Er2SeO2",
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"spacegroup": 164
},
{
"id": "jvasp-86987",
"created_at": "2022-09-04T14:35:48.677090Z",
"updated_at": "2022-09-04T14:35:48.677111Z",
"structure_string": "Sr2 B4 Rh4\n1.0\n5.411870 0.015867 -1.482961\n-2.844788 4.603887 -1.482961\n-0.013872 -0.024964 6.140899\nSr B Rh\n2 4 4\ndirect\n0.875000 0.125001 0.250000 Sr\n0.125001 0.875001 0.750001 Sr\n0.547473 0.452528 0.250000 B\n0.797474 0.202528 0.750001 B\n0.202527 0.797474 0.250000 B\n0.452528 0.547474 0.750001 B\n0.505956 0.755956 0.511912 Rh\n0.755955 0.505956 0.011912 Rh\n0.494045 0.244046 0.488089 Rh\n0.244046 0.494046 0.988090 Rh\n",
"nsites": 10,
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"elements": [
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"density": 6.843962466020082,
"density_atomic": 0.06541011407727078,
"volume": 152.8815557206753,
"volume_molar": 9.206742481576898,
"formula_full": "Sr2 B4 Rh4",
"formula_reduced": "Sr(BRh)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 70
},
{
"id": "jvasp-91507",
"created_at": "2022-09-04T14:35:53.315500Z",
"updated_at": "2022-09-04T14:35:53.315532Z",
"structure_string": "Na12 Mn6 O12\n1.0\n5.768753 0.003632 2.103754\n3.048063 8.100801 0.371704\n0.029413 0.028556 8.663149\nNa Mn O\n12 6 12\ndirect\n0.249999 0.938699 0.061300 Na\n0.749999 0.061301 0.938699 Na\n0.735912 0.400390 0.997360 Na\n0.764086 0.002640 0.599610 Na\n0.229633 0.323560 0.466913 Na\n0.770366 0.676441 0.533087 Na\n0.264086 0.599610 0.002640 Na\n0.729632 0.466913 0.323559 Na\n0.270366 0.533087 0.676440 Na\n0.749999 0.800477 0.199522 Na\n0.235912 0.997360 0.400390 Na\n0.249999 0.199523 0.800477 Na\n0.755937 0.129826 0.292526 Mn\n0.244061 0.870174 0.707474 Mn\n0.249999 0.678462 0.321538 Mn\n0.255938 0.292526 0.129826 Mn\n0.744061 0.707474 0.870174 Mn\n0.749999 0.321538 0.678462 Mn\n0.467848 0.328302 0.897390 O\n0.515711 0.890948 0.781189 O\n0.598012 0.279636 0.515742 O\n0.984287 0.218810 0.109051 O\n0.901986 0.484258 0.720364 O\n0.015711 0.781190 0.890948 O\n0.032150 0.102611 0.671698 O\n0.098013 0.515742 0.279636 O\n0.484288 0.109052 0.218810 O\n0.401986 0.720364 0.484258 O\n0.532150 0.671698 0.102610 O\n0.967848 0.897389 0.328302 O\n",
"nsites": 30,
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"elements": [
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"O"
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"volume": 404.36687610146953,
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"formula_full": "Na12 Mn6 O12",
"formula_reduced": "Na2MnO2",
"formula_anonymous": "AB2C2",
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"spacegroup": 15
},
{
"id": "jvasp-15609",
"created_at": "2022-09-04T14:35:58.075686Z",
"updated_at": "2022-09-04T14:35:58.075713Z",
"structure_string": "Ce1 Si2 Ag2\n1.0\n3.975535 0.000000 -1.470283\n-0.543758 3.938173 -1.470283\n0.010318 0.011841 6.137818\nCe Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.608460 0.608461 0.216923 Si\n0.391538 0.391538 0.783078 Si\n0.749999 0.250000 0.500000 Ag\n0.250000 0.749999 0.500000 Ag\n",
"nsites": 5,
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"elements": [
"Ce",
"Si",
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"density_atomic": 0.05195657204622235,
"volume": 96.23421644429945,
"volume_molar": 11.59071994711756,
"formula_full": "Ce1 Si2 Ag2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-92445",
"created_at": "2022-09-04T14:35:58.437971Z",
"updated_at": "2022-09-04T14:35:58.437996Z",
"structure_string": "Eu1 Mn2 Ge2\n1.0\n3.758194 -0.000000 -1.380046\n-0.506767 3.723869 -1.380046\n0.158654 0.181706 6.239304\nEu Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.249999 0.750001 0.499999 Mn\n0.749999 0.250001 0.499999 Mn\n0.373960 0.373962 0.747921 Ge\n0.626038 0.626039 0.252077 Ge\n",
"nsites": 5,
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"elements": [
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"Mn",
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],
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"density": 7.578568003402776,
"density_atomic": 0.05605127874123776,
"volume": 89.20403088540824,
"volume_molar": 10.743984607026318,
"formula_full": "Eu1 Mn2 Ge2",
"formula_reduced": "Eu(MnGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.229405276551724,
"spacegroup": 139
},
{
"id": "jvasp-93213",
"created_at": "2022-09-04T14:35:54.188101Z",
"updated_at": "2022-09-04T14:35:54.188132Z",
"structure_string": "Dy1 Cr2 Si2\n1.0\n3.850118 0.000000 0.000000\n0.000000 3.850118 0.000000\n-1.925058 -1.925058 5.359804\nDy Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.750000 0.500000 Cr\n0.750000 0.250000 0.500000 Cr\n0.384485 0.384485 0.768970 Si\n0.615515 0.615515 0.231030 Si\n",
"nsites": 5,
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"elements": [
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"Cr",
"Si"
],
"chemical_system": "Cr-Dy-Si",
"density": 6.743751292651426,
"density_atomic": 0.06293221468827777,
"volume": 79.45056478254432,
"volume_molar": 9.569249691639614,
"formula_full": "Dy1 Cr2 Si2",
"formula_reduced": "Dy(CrSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5975956999999994,
"spacegroup": 139
},
{
"id": "jvasp-15196",
"created_at": "2022-09-04T14:36:02.509107Z",
"updated_at": "2022-09-04T14:36:02.509132Z",
"structure_string": "Y1 Si2 Cu2\n1.0\n3.748962 0.000000 -1.387324\n-0.513387 3.713644 -1.387324\n-0.004301 -0.004936 5.747446\nY Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.617795 0.617795 0.235592 Si\n0.382204 0.382203 0.764410 Si\n0.749999 0.249999 0.500001 Cu\n0.249999 0.749999 0.500001 Cu\n",
"nsites": 5,
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],
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"density_atomic": 0.06252627700505117,
"volume": 79.96637956864241,
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"formula_full": "Y1 Si2 Cu2",
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"spacegroup": 139
},
{
"id": "jvasp-106161",
"created_at": "2022-09-04T14:35:54.859041Z",
"updated_at": "2022-09-04T14:35:54.859061Z",
"structure_string": "Ba1 Zn2 N2\n1.0\n3.647381 0.000000 -0.000004\n-1.823693 3.158726 -0.000000\n0.000000 0.000000 6.598153\nBa Zn N\n1 2 2\ndirect\n-0.000000 -0.000000 0.500000 Ba\n0.666667 0.333333 0.121301 Zn\n0.333334 0.666668 0.878699 Zn\n0.666667 0.333333 0.791466 N\n0.333334 0.666668 0.208534 N\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.469305854451824,
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"volume": 76.01783006801747,
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"formula_full": "Ba1 Zn2 N2",
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},
{
"id": "jvasp-108172",
"created_at": "2022-09-04T14:35:53.630750Z",
"updated_at": "2022-09-04T14:35:53.630767Z",
"structure_string": "Ba2 Fe4 N4\n1.0\n4.298575 0.000000 4.645200\n4.298575 4.298575 0.000000\n-0.000000 -0.000000 9.290400\nBa Fe N\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.730994 0.500001 0.634504 Fe\n0.269005 0.500001 0.365497 Fe\n0.269006 0.230994 0.865497 Fe\n0.730993 0.769007 0.134504 Fe\n0.680549 0.500001 0.159725 N\n0.319449 0.500001 0.840275 N\n0.319450 0.180550 0.340275 N\n0.680549 0.819451 0.659726 N\n",
"nsites": 10,
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"volume": 171.66566101331847,
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{
"id": "jvasp-92805",
"created_at": "2022-09-04T14:36:02.260420Z",
"updated_at": "2022-09-04T14:36:02.260448Z",
"structure_string": "K1 Ni2 Se2\n1.0\n3.804507 0.000000 -1.061035\n-0.295910 3.792982 -1.061035\n-0.098334 -0.106304 6.998757\nK Ni Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.250001 0.750000 0.500000 Ni\n0.750001 0.250000 0.500000 Ni\n0.354504 0.354504 0.709007 Se\n0.645497 0.645497 0.290993 Se\n",
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}
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}