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{
"id": "jvasp-19770",
"created_at": "2022-09-04T14:38:17.121409Z",
"updated_at": "2022-09-04T14:38:17.121431Z",
"structure_string": "Nd1 Sb1\n1.0\n3.913457 -0.006629 -2.256419\n-2.605667 3.690136 -0.004524\n-0.004681 0.006629 4.517361\nNd Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500001 0.500000 Sb\n",
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{
"id": "jvasp-20314",
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"updated_at": "2022-09-04T14:38:28.532341Z",
"structure_string": "Nd8 Sb6\n1.0\n7.758994 -0.000000 -2.743219\n-3.879497 6.719486 -2.743219\n0.000000 0.000000 8.229656\nNd Sb\n8 6\ndirect\n0.358561 0.500000 -0.000000 Nd\n0.641438 0.641439 0.641438 Nd\n0.500000 -0.000000 0.358562 Nd\n-0.000000 0.358562 0.500000 Nd\n0.500000 -0.000000 0.858562 Nd\n-0.000000 0.858562 0.500000 Nd\n0.858561 0.500000 -0.000000 Nd\n0.141438 0.141438 0.141438 Nd\n0.750000 0.875001 0.125000 Sb\n0.625000 0.375000 0.250000 Sb\n0.874999 0.125000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.375000 0.250000 0.625000 Sb\n0.250000 0.625000 0.375000 Sb\n",
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"elements": [
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"formula_full": "Nd8 Sb6",
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{
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"updated_at": "2022-09-04T14:36:08.013024Z",
"structure_string": "Nd2 Sc2 Sb2\n1.0\n4.448382 0.000000 0.000000\n0.000000 4.448382 0.000000\n-2.224190 -2.224190 8.287440\nNd Sc Sb\n2 2 2\ndirect\n0.824165 0.824165 0.648331 Nd\n0.175835 0.175835 0.351669 Nd\n0.500000 -0.000000 -0.000000 Sc\n-0.000000 0.500000 -0.000000 Sc\n0.626219 0.626219 0.252439 Sb\n0.373781 0.373781 0.747561 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
"chemical_system": "Nd-Sb-Sc",
"density": 6.297325731293953,
"density_atomic": 0.03658699185489222,
"volume": 163.99271150240006,
"volume_molar": 16.459786538025405,
"formula_full": "Nd2 Sc2 Sb2",
"formula_reduced": "NdScSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.44071095,
"spacegroup": 139
},
{
"id": "jvasp-116664",
"created_at": "2022-09-04T14:38:44.139112Z",
"updated_at": "2022-09-04T14:38:44.139136Z",
"structure_string": "Nd2 Sm6 Sb6\n1.0\n7.684125 0.001280 2.716506\n-3.849796 6.650177 2.716506\n0.000085 0.000148 8.139279\nNd Sm Sb\n2 6 6\ndirect\n0.500780 0.642226 0.999577 Nd\n0.642226 0.500780 0.499577 Nd\n0.143738 0.500173 0.498969 Sm\n0.999260 0.998663 0.858160 Sm\n0.358595 0.857271 0.643329 Sm\n0.500174 0.143738 0.998969 Sm\n0.998663 0.999260 0.358160 Sm\n0.857270 0.358595 0.143329 Sm\n0.625143 0.878863 0.248893 Sb\n0.878864 0.625143 0.748892 Sb\n0.372176 0.245394 0.376823 Sb\n0.126027 0.751698 0.124254 Sb\n0.751698 0.126027 0.624254 Sb\n0.245394 0.372176 0.876823 Sb\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Sm",
"Sb"
],
"chemical_system": "Nd-Sb-Sm",
"density": 7.66961537766329,
"density_atomic": 0.033657281971843915,
"volume": 415.9575336984054,
"volume_molar": 17.892534415101718,
"formula_full": "Nd2 Sm6 Sb6",
"formula_reduced": "Nd(SmSb)3",
"formula_anonymous": "AB3C3",
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"spacegroup": 9
},
{
"id": "jvasp-35009",
"created_at": "2022-09-04T14:37:32.205263Z",
"updated_at": "2022-09-04T14:37:32.205297Z",
"structure_string": "Nd2 Sb2 Te2\n1.0\n4.367152 0.000000 0.000000\n0.000000 4.367152 0.000000\n0.000000 0.000000 9.508425\nNd Sb Te\n2 2 2\ndirect\n0.500000 0.000000 0.725175 Nd\n0.000000 0.500000 0.274825 Nd\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.374816 Te\n0.000000 0.500000 0.625183 Te\n",
"nsites": 6,
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"elements": [
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"Sb",
"Te"
],
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"volume": 181.34483935526805,
"volume_molar": 18.20140247828353,
"formula_full": "Nd2 Sb2 Te2",
"formula_reduced": "NdSbTe",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-105224",
"created_at": "2022-09-04T14:36:54.365844Z",
"updated_at": "2022-09-04T14:36:54.365866Z",
"structure_string": "Nd6 Sc2\n1.0\n7.187496 0.000000 0.000000\n-3.593748 6.224554 0.000000\n-0.000000 -0.000000 5.708766\nNd Sc\n6 2\ndirect\n0.659112 0.829556 0.250000 Nd\n0.170443 0.340888 0.250000 Nd\n0.340888 0.170443 0.750000 Nd\n0.829557 0.659112 0.750000 Nd\n0.170443 0.829556 0.250000 Nd\n0.829557 0.170443 0.750000 Nd\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666666 0.750000 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Sc"
],
"chemical_system": "Nd-Sc",
"density": 6.211404221514163,
"density_atomic": 0.03132289468154969,
"volume": 255.4042364645273,
"volume_molar": 19.22600328362135,
"formula_full": "Nd6 Sc2",
"formula_reduced": "Nd3Sc",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-38562",
"created_at": "2022-09-04T14:37:49.019210Z",
"updated_at": "2022-09-04T14:37:49.019237Z",
"structure_string": "Nd2 Sc6\n1.0\n3.398459 -5.886303 -0.000000\n3.398459 5.886303 -0.000000\n-0.000000 -0.000000 5.318431\nNd Sc\n2 6\ndirect\n0.666667 0.333333 0.750000 Nd\n0.333333 0.666667 0.250000 Nd\n0.839286 0.678572 0.250000 Sc\n0.321429 0.160714 0.250000 Sc\n0.839286 0.160715 0.250000 Sc\n0.160714 0.321429 0.750000 Sc\n0.678572 0.839286 0.750000 Sc\n0.160715 0.839286 0.750000 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
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"density": 4.3562811966593795,
"density_atomic": 0.037596880626894334,
"volume": 212.78361041147988,
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"formula_full": "Nd2 Sc6",
"formula_reduced": "NdSc3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-76204",
"created_at": "2022-09-04T14:35:58.712469Z",
"updated_at": "2022-09-04T14:35:58.712485Z",
"structure_string": "Nd2 Sc2 Si2\n1.0\n4.293282 -0.000000 0.000000\n-0.000000 4.293282 0.000000\n-2.146642 -2.146642 7.904008\nNd Sc Si\n2 2 2\ndirect\n0.676415 0.676415 0.352831 Nd\n0.323585 0.323585 0.647169 Nd\n0.500000 -0.000000 -0.000000 Sc\n-0.000000 0.500000 -0.000000 Sc\n0.877278 0.877278 0.754557 Si\n0.122722 0.122722 0.245444 Si\n",
"nsites": 6,
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"elements": [
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"Sc",
"Si"
],
"chemical_system": "Nd-Sc-Si",
"density": 4.95312699450851,
"density_atomic": 0.04118367025651374,
"volume": 145.68881215852832,
"volume_molar": 14.62264223293095,
"formula_full": "Nd2 Sc2 Si2",
"formula_reduced": "NdScSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9728751166666665,
"spacegroup": 139
},
{
"id": "jvasp-12325",
"created_at": "2022-09-04T14:38:09.623813Z",
"updated_at": "2022-09-04T14:38:09.623830Z",
"structure_string": "Nd4 Sc2 Si4\n1.0\n7.392136 -0.000000 -0.000000\n0.000000 7.392136 0.000000\n-0.000000 0.000000 4.424529\nNd Sc Si\n4 2 4\ndirect\n0.177869 0.677869 0.500000 Nd\n0.322131 0.177869 0.500000 Nd\n0.677869 0.822132 0.500000 Nd\n0.822132 0.322131 0.500000 Nd\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.118851 0.381149 0.000000 Si\n0.381149 0.881150 0.000000 Si\n0.618851 0.118851 0.000000 Si\n0.881150 0.618851 0.000000 Si\n",
"nsites": 10,
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"elements": [
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],
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"volume": 241.77252312228813,
"volume_molar": 14.55988166142774,
"formula_full": "Nd4 Sc2 Si4",
"formula_reduced": "Nd2ScSi2",
"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-123685",
"created_at": "2022-09-04T14:38:55.079691Z",
"updated_at": "2022-09-04T14:38:55.079726Z",
"structure_string": "Nd1 Se2\n1.0\n2.235777 -3.785582 -0.603521\n2.160524 3.742135 -0.000000\n-0.727405 0.419967 5.872878\nNd Se\n1 2\ndirect\n-0.000000 0.333310 0.166667 Nd\n0.767861 0.717275 0.434174 Se\n0.232138 -0.050586 0.899160 Se\n",
"nsites": 3,
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"elements": [
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],
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"formula_full": "Nd1 Se2",
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"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-56587",
"created_at": "2022-09-04T14:37:07.272951Z",
"updated_at": "2022-09-04T14:37:07.272965Z",
"structure_string": "Nd4 Se8\n1.0\n0.000000 8.415276 -0.008081\n4.191444 0.000000 0.000000\n0.000000 -0.021908 -8.532212\nNd Se\n4 8\ndirect\n0.626301 0.275029 0.274759 Nd\n0.373700 0.724970 0.725240 Nd\n0.126300 0.224970 0.274759 Nd\n0.873700 0.775029 0.725240 Nd\n0.380714 0.189594 0.998344 Se\n0.874869 0.755495 0.368017 Se\n0.125131 0.244504 0.631982 Se\n0.625131 0.255496 0.631982 Se\n0.119286 0.689593 0.001655 Se\n0.374869 0.744503 0.368017 Se\n0.619286 0.810406 0.001655 Se\n0.880714 0.310406 0.998344 Se\n",
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"elements": [
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],
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"volume": 300.95027264145403,
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"formula_full": "Nd4 Se8",
"formula_reduced": "NdSe2",
"formula_anonymous": "AB2",
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"spacegroup": 14
},
{
"id": "jvasp-19718",
"created_at": "2022-09-04T14:38:32.234097Z",
"updated_at": "2022-09-04T14:38:32.234122Z",
"structure_string": "Nd1 Se1\n1.0\n3.660322 0.000000 2.113288\n1.220107 3.450985 2.113288\n0.000000 0.000000 4.226577\nNd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.499999 0.500001 Se\n",
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}
]
}