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{
"id": "jvasp-66528",
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"updated_at": "2022-09-04T14:35:49.492391Z",
"structure_string": "Ba1 Tl1 Zn1\n1.0\n-0.000000 3.888799 3.888799\n3.888799 0.000000 3.888799\n3.888799 3.888799 0.000000\nBa Tl Zn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Zn\n",
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{
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"structure_string": "Ba4 Mn1 Rh1\n1.0\n0.000000 4.763202 4.763202\n4.763202 0.000000 4.763202\n4.763202 4.763202 0.000000\nBa Mn Rh\n4 1 1\ndirect\n0.123819 0.625393 0.625393 Ba\n0.625393 0.625393 0.625393 Ba\n0.625393 0.123819 0.625393 Ba\n0.625393 0.625393 0.123819 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Rh\n",
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{
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"structure_string": "Mo2 As1 Pd1\n1.0\n-0.000000 3.163963 3.163963\n3.163963 0.000000 3.163963\n3.163963 3.163963 0.000000\nMo As Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Mo\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Pd\n",
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"volume": 63.34672749507698,
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"spacegroup": 216
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{
"id": "jvasp-64437",
"created_at": "2022-09-04T14:35:50.304074Z",
"updated_at": "2022-09-04T14:35:50.304094Z",
"structure_string": "Ba4 Nb1 Zn1\n1.0\n-0.000000 4.978272 4.978272\n4.978272 -0.000000 4.978272\n4.978272 4.978272 -0.000000\nBa Nb Zn\n4 1 1\ndirect\n0.125279 0.624907 0.624907 Ba\n0.624907 0.624907 0.624907 Ba\n0.624907 0.125279 0.624907 Ba\n0.624907 0.624907 0.125279 Ba\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
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"elements": [
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"Zn"
],
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"density_atomic": 0.024315622354838803,
"volume": 246.7549426636823,
"volume_molar": 24.766549965773734,
"formula_full": "Ba4 Nb1 Zn1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-75840",
"created_at": "2022-09-04T14:35:48.987047Z",
"updated_at": "2022-09-04T14:35:48.987086Z",
"structure_string": "Cd1 As1 Rh1\n1.0\n0.000000 3.139546 3.139546\n3.139546 0.000000 3.139546\n3.139546 3.139546 -0.000000\nCd As Rh\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.500001 0.500001 0.500001 As\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
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"elements": [
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"density": 7.787050160697301,
"density_atomic": 0.04847197406795204,
"volume": 61.89143433263829,
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"formula_full": "Cd1 As1 Rh1",
"formula_reduced": "CdAsRh",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-65065",
"created_at": "2022-09-04T14:35:49.006372Z",
"updated_at": "2022-09-04T14:35:49.006411Z",
"structure_string": "Be1 Pd4 Rh1\n1.0\n-0.000000 3.612759 3.612759\n3.612759 0.000000 3.612759\n3.612759 3.612759 0.000000\nBe Pd Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125033 0.624989 0.624989 Pd\n0.624989 0.624989 0.624989 Pd\n0.624989 0.125033 0.624989 Pd\n0.624989 0.624989 0.125033 Pd\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
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"elements": [
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],
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"density": 9.46584773925802,
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"volume": 94.30766030307792,
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"formula_full": "Be1 Pd4 Rh1",
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"spacegroup": 216
},
{
"id": "jvasp-75549",
"created_at": "2022-09-04T14:35:49.009507Z",
"updated_at": "2022-09-04T14:35:49.009542Z",
"structure_string": "As1 Ru2 Pt1\n1.0\n-0.000000 3.126166 3.126166\n3.126166 0.000000 3.126166\n3.126166 3.126166 0.000000\nAs Ru Pt\n1 2 1\ndirect\n0.500001 0.500001 0.500001 As\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Ru\n0.750001 0.750001 0.750001 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 12.830953832850687,
"density_atomic": 0.06546269633197144,
"volume": 61.10350205734549,
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"formula_full": "As1 Ru2 Pt1",
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"spacegroup": 216
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{
"id": "jvasp-66454",
"created_at": "2022-09-04T14:35:49.014400Z",
"updated_at": "2022-09-04T14:35:49.014434Z",
"structure_string": "Ba4 Fe1 W1\n1.0\n0.000000 4.779272 4.779272\n4.779272 0.000000 4.779272\n4.779272 4.779272 0.000000\nBa Fe W\n4 1 1\ndirect\n0.124825 0.625058 0.625058 Ba\n0.625058 0.625058 0.625058 Ba\n0.625058 0.124825 0.625058 Ba\n0.625058 0.625058 0.124825 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
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"W"
],
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"density_atomic": 0.027481220121189375,
"volume": 218.3309173879694,
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"formula_full": "Ba4 Fe1 W1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-64938",
"created_at": "2022-09-04T14:35:49.075151Z",
"updated_at": "2022-09-04T14:35:49.075175Z",
"structure_string": "Be1 Ni4 P1\n1.0\n-0.000000 3.270698 3.270698\n3.270698 -0.000000 3.270698\n3.270698 3.270698 0.000000\nBe Ni P\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124495 0.625169 0.625169 Ni\n0.625169 0.625169 0.625169 Ni\n0.625169 0.124495 0.625169 Ni\n0.625169 0.625169 0.124495 Ni\n0.250000 0.250000 0.250000 P\n",
"nsites": 6,
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"elements": [
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"volume": 69.97635742482261,
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"formula_full": "Be1 Ni4 P1",
"formula_reduced": "BeNi4P",
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"spacegroup": 216
},
{
"id": "jvasp-66037",
"created_at": "2022-09-04T14:35:49.077342Z",
"updated_at": "2022-09-04T14:35:49.077370Z",
"structure_string": "Ba4 Si1 Ni1\n1.0\n-0.000000 4.823292 4.823292\n4.823292 -0.000000 4.823292\n4.823292 4.823292 -0.000000\nBa Si Ni\n4 1 1\ndirect\n0.124128 0.625290 0.625290 Ba\n0.625290 0.625290 0.625290 Ba\n0.625290 0.124128 0.625290 Ba\n0.625290 0.625290 0.124128 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 6,
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"volume": 224.41953584982747,
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"formula_full": "Ba4 Si1 Ni1",
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{
"id": "jvasp-74742",
"created_at": "2022-09-04T14:35:49.073077Z",
"updated_at": "2022-09-04T14:35:49.073101Z",
"structure_string": "Mg4 Be1 Tl1\n1.0\n-0.000000 4.076439 4.076439\n4.076439 0.000000 4.076439\n4.076439 4.076439 0.000000\nMg Be Tl\n4 1 1\ndirect\n0.123295 0.625568 0.625568 Mg\n0.625568 0.625568 0.625568 Mg\n0.625568 0.123295 0.625568 Mg\n0.625568 0.625568 0.123295 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tl\n",
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{
"id": "jvasp-1177",
"created_at": "2022-09-04T14:35:49.780231Z",
"updated_at": "2022-09-04T14:35:49.780255Z",
"structure_string": "Ga1 Sb1\n1.0\n3.793682 0.000000 2.190283\n1.264561 3.576718 2.190283\n0.000000 0.000000 4.380567\nGa Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Sb\n",
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]
}