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{
"id": "jvasp-107581",
"created_at": "2022-09-04T14:36:59.088938Z",
"updated_at": "2022-09-04T14:36:59.088954Z",
"structure_string": "Sr2 Ru1 N2\n1.0\n3.732748 -0.000000 -1.101736\n-0.326747 3.717408 -1.107039\n0.004169 0.013815 6.888381\nSr Ru N\n2 1 2\ndirect\n0.142674 0.142675 0.785349 Sr\n0.857326 0.857327 0.214650 Sr\n0.500000 0.500001 0.500000 Ru\n0.644943 0.644944 0.789885 N\n0.355057 0.355057 0.210115 N\n",
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{
"id": "jvasp-107263",
"created_at": "2022-09-04T14:37:00.844324Z",
"updated_at": "2022-09-04T14:37:00.844346Z",
"structure_string": "Ba1 Mg2 In2\n1.0\n4.569038 -0.022807 -5.492423\n-0.614700 4.527557 -5.492423\n0.020020 0.022807 7.144398\nBa Mg In\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500001 Mg\n0.250000 0.750001 0.500001 Mg\n0.383829 0.383829 0.000000 In\n0.616172 0.616171 0.000001 In\n",
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"elements": [
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"volume": 148.84269486715576,
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{
"id": "jvasp-15382",
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"updated_at": "2022-09-04T14:37:02.380827Z",
"structure_string": "Pr1 Si2 Ni2\n1.0\n3.818197 0.000000 -1.479469\n-0.573262 3.774916 -1.479469\n-0.013659 -0.015889 5.631463\nPr Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.631760 0.631760 0.263518 Si\n0.368241 0.368241 0.736481 Si\n0.750001 0.250000 0.500000 Ni\n0.250001 0.750001 0.500000 Ni\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.447580020419583,
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"volume": 80.98886142819323,
"volume_molar": 9.754526470254284,
"formula_full": "Pr1 Si2 Ni2",
"formula_reduced": "Pr(SiNi)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-2394",
"created_at": "2022-09-04T14:37:00.843438Z",
"updated_at": "2022-09-04T14:37:00.843464Z",
"structure_string": "Na2 Hg1 O2\n1.0\n3.306724 -0.000000 -0.821929\n-0.204301 3.300406 -0.821929\n0.019485 0.020728 7.141041\nNa Hg O\n2 1 2\ndirect\n0.676792 0.676794 0.353585 Na\n0.323206 0.323208 0.646414 Na\n0.000000 0.000000 0.000000 Hg\n0.850518 0.850521 0.701040 O\n0.149479 0.149480 0.298960 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Hg",
"O"
],
"chemical_system": "Hg-Na-O",
"density": 5.926886026162735,
"density_atomic": 0.06406424742106127,
"volume": 78.04665162360493,
"volume_molar": 9.400158438480629,
"formula_full": "Na2 Hg1 O2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-15422",
"created_at": "2022-09-04T14:36:58.927727Z",
"updated_at": "2022-09-04T14:36:58.927742Z",
"structure_string": "Yb1 Si2 Pd2\n1.0\n3.961538 0.000000 -1.518658\n-0.582178 3.918528 -1.518658\n-0.078005 -0.090451 5.722838\nYb Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.621516 0.621517 0.243032 Si\n0.378483 0.378484 0.756968 Si\n0.750000 0.250000 0.500000 Pd\n0.249999 0.750001 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"Si",
"Pd"
],
"chemical_system": "Pd-Si-Yb",
"density": 8.36520519155787,
"density_atomic": 0.056980352003788336,
"volume": 87.74954566211832,
"volume_molar": 10.568802312066477,
"formula_full": "Yb1 Si2 Pd2",
"formula_reduced": "Yb(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7152658599999997,
"spacegroup": 139
},
{
"id": "jvasp-2844",
"created_at": "2022-09-04T14:37:01.990702Z",
"updated_at": "2022-09-04T14:37:01.990712Z",
"structure_string": "K2 Te2 Pt1\n1.0\n3.831379 -0.000000 1.167346\n1.433536 6.241811 2.166162\n0.033688 0.009809 6.760640\nK Te Pt\n2 2 1\ndirect\n0.206914 0.293086 0.293086 K\n0.793088 0.706914 0.706914 K\n0.500001 0.773711 0.226289 Te\n0.500001 0.226289 0.773711 Te\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 5,
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],
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"density": 5.438252188805722,
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"volume": 161.36851542975734,
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"formula_full": "K2 Te2 Pt1",
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},
{
"id": "jvasp-76249",
"created_at": "2022-09-04T14:37:04.305249Z",
"updated_at": "2022-09-04T14:37:04.305269Z",
"structure_string": "Tb4 Mg2 Ge4\n1.0\n-0.000000 -0.000000 4.252242\n7.266039 0.000000 0.000000\n-0.000000 7.266039 0.000000\nTb Mg Ge\n4 2 4\ndirect\n0.500000 0.177407 0.677407 Tb\n0.500000 0.822593 0.322593 Tb\n0.500000 0.322593 0.177407 Tb\n0.500000 0.677407 0.822593 Tb\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.375944 0.875944 Ge\n0.000000 0.624057 0.124057 Ge\n0.000000 0.124057 0.375944 Ge\n0.000000 0.875944 0.624057 Ge\n",
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"elements": [
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"Ge"
],
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"density": 7.210792612773039,
"density_atomic": 0.04454372968608368,
"volume": 224.49848879906867,
"volume_molar": 13.51961499955275,
"formula_full": "Tb4 Mg2 Ge4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-27528",
"created_at": "2022-09-04T14:37:00.772953Z",
"updated_at": "2022-09-04T14:37:00.772976Z",
"structure_string": "Dy8 S8 O4\n1.0\n0.000000 6.859173 0.013756\n6.898543 0.000000 0.000000\n0.000000 -1.354055 -8.141381\nDy S O\n8 8 4\ndirect\n0.249518 0.054422 0.137391 Dy\n0.250482 0.554422 0.862609 Dy\n0.750482 0.945578 0.862608 Dy\n0.749518 0.445578 0.137391 Dy\n0.320707 0.143163 0.576744 Dy\n0.179293 0.643163 0.423256 Dy\n0.679293 0.856837 0.423255 Dy\n0.820707 0.356837 0.576744 Dy\n0.924289 0.133987 0.319036 S\n0.530119 0.777686 0.076812 S\n0.969881 0.277686 0.923187 S\n0.469881 0.222314 0.923187 S\n0.575711 0.633987 0.680963 S\n0.424289 0.366013 0.319036 S\n0.030119 0.722314 0.076812 S\n0.075711 0.866013 0.680963 S\n0.350234 0.912914 0.383079 O\n0.649766 0.087086 0.616920 O\n0.149767 0.412914 0.616920 O\n0.850234 0.587085 0.383079 O\n",
"nsites": 20,
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"elements": [
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"S",
"O"
],
"chemical_system": "Dy-O-S",
"density": 6.987479074262419,
"density_atomic": 0.05193350884594476,
"volume": 385.10781274817913,
"volume_molar": 11.595867280726285,
"formula_full": "Dy8 S8 O4",
"formula_reduced": "Dy2S2O",
"formula_anonymous": "AB2C2",
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"spacegroup": 14
},
{
"id": "jvasp-8677",
"created_at": "2022-09-04T14:37:05.360188Z",
"updated_at": "2022-09-04T14:37:05.360200Z",
"structure_string": "Zn1 B2 Ir2\n1.0\n2.934399 0.000000 -0.670699\n-0.153298 2.930392 -0.670699\n-0.020627 -0.021734 6.664304\nZn B Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250001 0.500000 B\n0.249999 0.750000 0.499999 B\n0.372630 0.372632 0.745263 Ir\n0.627368 0.627369 0.254736 Ir\n",
"nsites": 5,
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"elements": [
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"B",
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],
"chemical_system": "B-Ir-Zn",
"density": 13.68194042654257,
"density_atomic": 0.08738142931823951,
"volume": 57.22039613005423,
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"formula_full": "Zn1 B2 Ir2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-15284",
"created_at": "2022-09-04T14:37:01.720759Z",
"updated_at": "2022-09-04T14:37:01.720779Z",
"structure_string": "Er1 Si2 Ir2\n1.0\n3.821086 0.000000 -1.450365\n-0.550513 3.781220 -1.450365\n-0.009706 -0.011221 5.733067\nEr Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.620427 0.620427 0.240855 Si\n0.379573 0.379574 0.759147 Si\n0.250000 0.750000 0.500001 Ir\n0.750001 0.250000 0.500001 Ir\n",
"nsites": 5,
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"elements": [
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],
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"density": 12.204003710991351,
"density_atomic": 0.060452854757437766,
"volume": 82.70907999402343,
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"formula_full": "Er1 Si2 Ir2",
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},
{
"id": "jvasp-106653",
"created_at": "2022-09-04T14:36:59.535116Z",
"updated_at": "2022-09-04T14:36:59.535143Z",
"structure_string": "Nd2 Ga1 Co2\n1.0\n4.767814 -0.015626 -2.799913\n-0.876326 3.703068 -4.011377\n0.009179 0.015626 5.529148\nNd Ga Co\n2 1 2\ndirect\n0.294209 0.794210 0.500000 Nd\n0.705790 0.205791 0.500000 Nd\n0.000000 0.000000 0.000000 Ga\n0.713124 0.500000 0.213124 Co\n0.286875 0.500001 0.786876 Co\n",
"nsites": 5,
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"elements": [
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"formula_full": "Nd2 Ga1 Co2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-2736",
"created_at": "2022-09-04T14:37:03.714525Z",
"updated_at": "2022-09-04T14:37:03.714564Z",
"structure_string": "Li2 Ce1 N2\n1.0\n1.786972 -3.095125 -0.000000\n1.786972 3.095125 0.000000\n0.000000 0.000000 5.436521\nLi Ce N\n2 1 2\ndirect\n0.666667 0.333332 0.603631 Li\n0.333332 0.666667 0.396369 Li\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333332 0.229149 N\n0.333332 0.666667 0.770851 N\n",
"nsites": 5,
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],
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}