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{
"id": "jvasp-17887",
"created_at": "2022-09-04T14:38:12.216437Z",
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"structure_string": "Nd1 Si2 Pt2\n1.0\n3.978465 0.000000 -1.580200\n-0.627637 3.928646 -1.580200\n0.005348 0.006270 5.811849\nNd Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.621720 0.621722 0.243441 Si\n0.378279 0.378279 0.756559 Si\n0.250000 0.750001 0.500000 Pt\n0.749999 0.250000 0.500000 Pt\n",
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{
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"structure_string": "Nd3 Sn3 Pt3\n1.0\n3.829237 -6.632431 -0.000000\n3.829237 6.632431 0.000000\n-0.000000 0.000000 4.127784\nNd Sn Pt\n3 3 3\ndirect\n0.408243 0.408243 0.000000 Nd\n0.000000 0.591758 0.000000 Nd\n0.591758 0.000000 0.000000 Nd\n0.254574 0.000000 0.500000 Sn\n0.745427 0.745427 0.500000 Sn\n0.000000 0.254574 0.500000 Sn\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500000 Pt\n0.666667 0.333333 0.500000 Pt\n",
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{
"id": "jvasp-59650",
"created_at": "2022-09-04T14:37:27.667200Z",
"updated_at": "2022-09-04T14:37:27.667210Z",
"structure_string": "Nd4 Sn4 Pt4\n1.0\n4.648476 -0.000000 0.000000\n-0.000000 7.452304 0.000000\n0.000000 0.000000 8.122536\nNd Sn Pt\n4 4 4\ndirect\n0.750001 0.488020 0.804785 Nd\n0.250000 0.011980 0.304785 Nd\n0.750001 0.988019 0.695216 Nd\n0.250000 0.511980 0.195215 Nd\n0.250000 0.677094 0.584211 Sn\n0.250000 0.177094 0.915790 Sn\n0.750001 0.322906 0.415790 Sn\n0.750001 0.822905 0.084210 Sn\n0.250000 0.787180 0.909503 Pt\n0.250000 0.287180 0.590498 Pt\n0.750001 0.712819 0.409503 Pt\n0.750001 0.212819 0.090497 Pt\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.042646996005220754,
"volume": 281.37972481182464,
"volume_molar": 14.120902581890604,
"formula_full": "Nd4 Sn4 Pt4",
"formula_reduced": "NdSnPt",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-107468",
"created_at": "2022-09-04T14:36:56.458369Z",
"updated_at": "2022-09-04T14:36:56.458391Z",
"structure_string": "Nd1 Pu3\n1.0\n4.398235 -0.036399 -3.973333\n-0.891955 4.306995 -3.973333\n0.029885 0.036399 5.927137\nNd Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.749999 0.250000 0.500000 Pu\n0.250000 0.750001 0.500001 Pu\n0.500000 0.500000 0.000001 Pu\n",
"nsites": 4,
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"elements": [
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"volume": 113.3672116974848,
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"formula_full": "Nd1 Pu3",
"formula_reduced": "NdPu3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-38216",
"created_at": "2022-09-04T14:37:52.736931Z",
"updated_at": "2022-09-04T14:37:52.736953Z",
"structure_string": "Rb3 Nd1\n1.0\n0.000000 5.038315 5.038315\n5.038315 0.000000 5.038315\n5.038315 5.038315 0.000000\nRb Nd\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750001 0.750001 Nd\n",
"nsites": 4,
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"elements": [
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"density": 2.600897954354746,
"density_atomic": 0.015637742092067575,
"volume": 255.7914036725958,
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"spacegroup": 225
},
{
"id": "jvasp-1657",
"created_at": "2022-09-04T14:36:54.532646Z",
"updated_at": "2022-09-04T14:36:54.532672Z",
"structure_string": "Rb1 Nd1 S2\n1.0\n4.055420 -0.001399 6.916586\n1.877119 3.594837 6.916586\n-0.002310 -0.001399 8.017829\nRb Nd S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Nd\n0.766554 0.766554 0.766554 S\n0.233446 0.233447 0.233447 S\n",
"nsites": 4,
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"elements": [
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"volume": 116.98810395502564,
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"formula_full": "Rb1 Nd1 S2",
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"spacegroup": 166
},
{
"id": "jvasp-1708",
"created_at": "2022-09-04T14:35:48.856859Z",
"updated_at": "2022-09-04T14:35:48.856877Z",
"structure_string": "Rb1 Nd1 Se2\n1.0\n4.198168 -0.001534 7.184214\n1.944025 3.720939 7.184214\n-0.002533 -0.001534 8.320910\nRb Nd Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.499998 Nd\n0.234679 0.234680 0.234678 Se\n0.765322 0.765323 0.765318 Se\n",
"nsites": 4,
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"elements": [
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"Nd",
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],
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"volume": 130.09938836778895,
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"formula_full": "Rb1 Nd1 Se2",
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"spacegroup": 166
},
{
"id": "jvasp-10725",
"created_at": "2022-09-04T14:38:16.803783Z",
"updated_at": "2022-09-04T14:38:16.803814Z",
"structure_string": "Rb2 Nd2 Te8\n1.0\n6.966457 0.000000 0.000000\n0.000000 6.966457 0.000000\n0.000000 -0.000000 9.081304\nRb Nd Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.500000 Nd\n0.355830 0.855831 0.289870 Te\n0.144170 0.355830 0.289870 Te\n0.855831 0.644170 0.289870 Te\n0.355830 0.144170 0.710129 Te\n0.644170 0.855831 0.710129 Te\n0.644170 0.144170 0.289870 Te\n0.855831 0.355830 0.710129 Te\n0.144170 0.644170 0.710129 Te\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.57703169050726,
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"volume": 440.72951515243415,
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"formula_full": "Rb2 Nd2 Te8",
"formula_reduced": "RbNdTe4",
"formula_anonymous": "ABC4",
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"spacegroup": 125
},
{
"id": "jvasp-1510",
"created_at": "2022-09-04T14:36:49.724816Z",
"updated_at": "2022-09-04T14:36:49.724833Z",
"structure_string": "Rb1 Nd1 Te2\n1.0\n4.455364 -0.003786 7.682171\n2.063586 3.948658 7.682171\n-0.006256 -0.003786 8.880651\nRb Nd Te\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Rb\n0.000000 0.000000 0.000000 Nd\n0.263805 0.263804 0.263805 Te\n0.736195 0.736194 0.736196 Te\n",
"nsites": 4,
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],
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"formula_full": "Rb1 Nd1 Te2",
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"spacegroup": 166
},
{
"id": "jvasp-20750",
"created_at": "2022-09-04T14:37:36.768827Z",
"updated_at": "2022-09-04T14:37:36.768852Z",
"structure_string": "Nd2 Rh4\n1.0\n4.682753 -0.000000 2.703588\n1.560918 4.414941 2.703588\n0.000000 0.000000 5.407177\nNd Rh\n2 4\ndirect\n0.125000 0.125000 0.125000 Nd\n0.875000 0.875000 0.875001 Nd\n0.500000 -0.000000 0.500001 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.500001 Rh\n0.500000 0.500000 0.000000 Rh\n",
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},
{
"id": "jvasp-37135",
"created_at": "2022-09-04T14:38:04.504555Z",
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"structure_string": "Nd2 Rh2\n1.0\n-3.955589 0.000000 0.000000\n0.000000 0.000000 -4.222773\n-1.977795 -5.498857 0.000000\nNd Rh\n2 2\ndirect\n0.141413 0.749999 0.717172 Nd\n0.858585 0.250000 0.282829 Nd\n0.414247 0.749999 0.171505 Rh\n0.585752 0.250000 0.828495 Rh\n",
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{
"id": "jvasp-20657",
"created_at": "2022-09-04T14:38:10.626649Z",
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"structure_string": "Nd2 Rh4\n1.0\n4.682751 -0.000000 2.703587\n1.560917 4.414940 2.703587\n0.000000 0.000000 5.407175\nNd Rh\n2 4\ndirect\n0.125000 0.125000 0.125000 Nd\n0.875000 0.875000 0.875002 Nd\n0.500000 -0.000000 0.500001 Rh\n0.000000 0.500000 0.500001 Rh\n0.500000 0.500000 0.500001 Rh\n0.500000 0.500000 0.000000 Rh\n",
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