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{
"id": "jvasp-107281",
"created_at": "2022-09-04T14:36:50.882462Z",
"updated_at": "2022-09-04T14:36:50.882490Z",
"structure_string": "Tc3 Pt1\n1.0\n2.762992 0.000000 0.000000\n-1.381495 2.392822 0.000000\n-0.000000 0.000000 8.894427\nTc Pt\n3 1\ndirect\n0.333332 0.666666 -0.000000 Tc\n0.666665 0.333333 0.756638 Tc\n0.666665 0.333333 0.243362 Tc\n0.333332 0.666666 0.500000 Pt\n",
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{
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"created_at": "2022-09-04T14:37:53.274784Z",
"updated_at": "2022-09-04T14:37:53.274799Z",
"structure_string": "Tc1 Pt3\n1.0\n-1.955845 1.955845 3.990309\n1.955845 -1.955845 3.990309\n1.955845 1.955845 -3.990309\nTc Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Tc\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n0.499999 0.499999 0.000000 Pt\n",
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{
"id": "jvasp-99925",
"created_at": "2022-09-04T14:36:49.402158Z",
"updated_at": "2022-09-04T14:36:49.402190Z",
"structure_string": "Tc1 Pt1\n1.0\n2.639521 0.000808 4.041684\n1.203466 2.349200 4.041684\n0.001322 0.000808 4.827244\nTc Pt\n1 1\ndirect\n0.500000 0.500001 0.499998 Tc\n0.000000 0.000000 0.000000 Pt\n",
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"volume": 29.910663279623535,
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{
"id": "jvasp-40443",
"created_at": "2022-09-04T14:38:05.214996Z",
"updated_at": "2022-09-04T14:38:05.215021Z",
"structure_string": "Tc2 Rh6\n1.0\n2.736947 -4.740532 -0.000000\n2.736947 4.740532 0.000000\n-0.000000 0.000000 4.347845\nTc Rh\n2 6\ndirect\n0.333334 0.666667 0.250000 Tc\n0.666667 0.333334 0.750001 Tc\n0.168062 0.831939 0.750001 Rh\n0.663877 0.831939 0.750001 Rh\n0.168062 0.336124 0.750001 Rh\n0.831939 0.168062 0.250000 Rh\n0.336124 0.168062 0.250000 Rh\n0.831939 0.663877 0.250000 Rh\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Rh-Tc",
"density": 11.9721835293376,
"density_atomic": 0.07090754807650067,
"volume": 112.82296761085249,
"volume_molar": 8.492947398918432,
"formula_full": "Tc2 Rh6",
"formula_reduced": "TcRh3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-42888",
"created_at": "2022-09-04T14:36:34.363538Z",
"updated_at": "2022-09-04T14:36:34.363560Z",
"structure_string": "Tc6 Rh2\n1.0\n2.756307 -4.774064 0.000000\n2.756307 4.774064 0.000000\n0.000000 0.000000 4.354267\nTc Rh\n6 2\ndirect\n0.839758 0.160243 0.750000 Tc\n0.320485 0.160243 0.750000 Tc\n0.839758 0.679516 0.750000 Tc\n0.160243 0.839758 0.250000 Tc\n0.679516 0.839758 0.250000 Tc\n0.160243 0.320485 0.250000 Tc\n0.666667 0.333334 0.250000 Rh\n0.333334 0.666667 0.750000 Rh\n",
"nsites": 8,
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"density": 11.50284674472515,
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"volume": 114.59373546824635,
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"formula_full": "Tc6 Rh2",
"formula_reduced": "Tc3Rh",
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"spacegroup": 194
},
{
"id": "jvasp-102177",
"created_at": "2022-09-04T14:37:02.430199Z",
"updated_at": "2022-09-04T14:37:02.430229Z",
"structure_string": "Tc1 Rh1\n1.0\n2.738045 0.000000 0.000000\n-1.369023 2.371217 -0.000000\n-0.000000 0.000000 4.361878\nTc Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.333335 0.666668 0.500000 Rh\n",
"nsites": 2,
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"elements": [
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"density": 11.780277687124384,
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"volume": 28.319487902177137,
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"spacegroup": 187
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{
"id": "jvasp-40445",
"created_at": "2022-09-04T14:38:02.034598Z",
"updated_at": "2022-09-04T14:38:02.034619Z",
"structure_string": "Tc2 Ru6\n1.0\n2.733323 -4.734254 0.000000\n2.733323 4.734254 0.000000\n-0.000000 -0.000000 4.313844\nTc Ru\n2 6\ndirect\n0.666666 0.333333 0.250000 Tc\n0.333333 0.666666 0.749999 Tc\n0.832668 0.665335 0.749999 Ru\n0.832668 0.167331 0.749999 Ru\n0.334664 0.167331 0.749999 Ru\n0.167331 0.334664 0.250000 Ru\n0.167331 0.832668 0.250000 Ru\n0.665335 0.832668 0.250000 Ru\n",
"nsites": 8,
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"elements": [
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"density": 11.93476577346123,
"density_atomic": 0.07165607980882982,
"volume": 111.6443994891024,
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"formula_full": "Tc2 Ru6",
"formula_reduced": "TcRu3",
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"spacegroup": 194
},
{
"id": "jvasp-42892",
"created_at": "2022-09-04T14:36:46.739382Z",
"updated_at": "2022-09-04T14:36:46.739402Z",
"structure_string": "Tc6 Ru2\n1.0\n2.751861 -4.766363 0.000000\n2.751861 4.766363 -0.000000\n0.000000 -0.000000 4.359507\nTc Ru\n6 2\ndirect\n0.164755 0.329509 0.250000 Tc\n0.670491 0.835245 0.250000 Tc\n0.164755 0.835245 0.250000 Tc\n0.835245 0.670491 0.750000 Tc\n0.329509 0.164755 0.750000 Tc\n0.835245 0.164755 0.750000 Tc\n0.333333 0.666667 0.750000 Ru\n0.666667 0.333333 0.250000 Ru\n",
"nsites": 8,
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"elements": [
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"density": 11.472872377566237,
"density_atomic": 0.06995342840822762,
"volume": 114.36180015816173,
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"formula_full": "Tc6 Ru2",
"formula_reduced": "Tc3Ru",
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"spacegroup": 194
},
{
"id": "jvasp-149",
"created_at": "2022-09-04T14:36:48.077046Z",
"updated_at": "2022-09-04T14:36:48.077082Z",
"structure_string": "Tc4 S8\n1.0\n6.419970 0.001940 -0.009854\n3.149870 5.706772 0.034977\n1.585691 2.551710 6.021396\nTc S\n4 8\ndirect\n0.511500 0.285377 0.502457 Tc\n0.488500 0.714622 0.497545 Tc\n0.938183 0.308500 0.509095 Tc\n0.061817 0.691499 0.490907 Tc\n0.321262 0.185127 0.302904 S\n0.678738 0.814872 0.697097 S\n0.857338 0.169853 0.276573 S\n0.142662 0.830146 0.723429 S\n0.361335 0.690045 0.212587 S\n0.638665 0.309954 0.787415 S\n0.824443 0.718166 0.240509 S\n0.175557 0.281832 0.759493 S\n",
"nsites": 12,
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"elements": [
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"chemical_system": "S-Tc",
"density": 4.894788967991219,
"density_atomic": 0.05454346789476023,
"volume": 220.00801311632023,
"volume_molar": 11.040993527620056,
"formula_full": "Tc4 S8",
"formula_reduced": "TcS2",
"formula_anonymous": "AB2",
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"spacegroup": 2
},
{
"id": "jvasp-123714",
"created_at": "2022-09-04T14:38:54.991287Z",
"updated_at": "2022-09-04T14:38:54.991313Z",
"structure_string": "Tc1 Se2\n1.0\n1.629500 -2.822913 -0.014269\n1.629965 2.823182 0.000000\n0.012823 -0.007404 6.599736\nTc Se\n1 2\ndirect\n0.000000 0.333338 0.166667 Tc\n0.668593 0.667629 0.427334 Se\n0.331405 -0.000965 0.906000 Se\n",
"nsites": 3,
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"density": 6.9977324049928535,
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"volume": 60.728980951180844,
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"formula_full": "Tc1 Se2",
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"spacegroup": 164
},
{
"id": "jvasp-122615",
"created_at": "2022-09-04T14:38:54.801595Z",
"updated_at": "2022-09-04T14:38:54.801621Z",
"structure_string": "Tc1 Sn7\n1.0\n6.488901 -0.000000 0.000000\n0.000000 6.488901 0.000000\n-0.000000 -0.000000 6.488901\nTc Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Tc\n0.232631 0.232631 0.732631 Sn\n0.000000 0.500000 0.000000 Sn\n0.232631 0.767369 0.267369 Sn\n0.500000 0.000000 0.000000 Sn\n0.767369 0.232631 0.267369 Sn\n0.500000 0.500000 0.500000 Sn\n0.767369 0.767369 0.732631 Sn\n",
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"elements": [
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"density": 5.645954083737644,
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"volume": 273.22060254485814,
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"formula_full": "Tc1 Sn7",
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"spacegroup": 215
},
{
"id": "jvasp-104682",
"created_at": "2022-09-04T14:36:50.738744Z",
"updated_at": "2022-09-04T14:36:50.738770Z",
"structure_string": "Tc1 W1\n1.0\n2.737080 0.011007 0.000000\n-0.965699 2.561085 0.000000\n0.000000 0.000000 4.386798\nTc W\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 W\n",
"nsites": 2,
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"elements": [
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}