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"id": "jvasp-23339",
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"structure_string": "U4 Te4 S4\n1.0\n4.184961 0.000000 0.000000\n-0.000000 7.609213 0.000000\n0.000000 0.000000 8.877579\nU Te S\n4 4 4\ndirect\n0.250000 0.706563 0.623637 U\n0.750000 0.293437 0.376363 U\n0.250000 0.206563 0.876363 U\n0.750000 0.793437 0.123637 U\n0.250000 0.475709 0.160257 Te\n0.750000 0.024291 0.660257 Te\n0.250000 0.975709 0.339743 Te\n0.750000 0.524291 0.839743 Te\n0.750000 0.647460 0.427876 S\n0.250000 0.852539 0.927876 S\n0.750000 0.147460 0.072124 S\n0.250000 0.352539 0.572124 S\n",
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"structure_string": "Tm2 Te1 S2\n1.0\n4.919882 -0.012249 -5.524574\n-0.464795 3.916569 -6.258403\n0.034032 0.012255 7.397726\nTm Te S\n2 1 2\ndirect\n0.831920 0.331917 0.499966 Tm\n0.168080 0.668082 0.500034 Tm\n0.000000 0.000000 0.000000 Te\n0.699368 0.699338 -0.000032 S\n0.300633 0.300662 0.000033 S\n",
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"updated_at": "2022-09-04T14:36:03.507088Z",
"structure_string": "Tl8 Te4 S12\n1.0\n6.055221 -0.000000 0.000000\n-0.000000 8.216608 0.000000\n0.000000 0.000000 13.556160\nTl Te S\n8 4 12\ndirect\n0.305339 0.825187 0.578931 Tl\n0.194661 0.325187 0.921069 Tl\n0.694661 0.174813 0.078931 Tl\n0.694661 0.174813 0.421069 Tl\n0.305339 0.825187 0.921069 Tl\n0.805339 0.674813 0.078931 Tl\n0.194661 0.325187 0.578931 Tl\n0.805339 0.674813 0.421069 Tl\n0.264286 0.890524 0.250000 Te\n0.235714 0.390524 0.250000 Te\n0.764286 0.609476 0.750000 Te\n0.735714 0.109476 0.750000 Te\n0.821926 0.938800 0.890944 S\n0.160886 0.576676 0.750000 S\n0.660886 0.923324 0.250000 S\n0.339114 0.076676 0.750000 S\n0.321926 0.561200 0.390944 S\n0.678074 0.438800 0.890944 S\n0.178074 0.061200 0.109056 S\n0.178074 0.061200 0.390944 S\n0.678074 0.438800 0.609056 S\n0.321926 0.561200 0.109056 S\n0.839113 0.423324 0.250000 S\n0.821926 0.938800 0.609056 S\n",
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{
"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",
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"volume": 220.00801311632023,
"volume_molar": 11.040993527620056,
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{
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"created_at": "2022-09-04T14:38:28.805114Z",
"updated_at": "2022-09-04T14:38:28.805143Z",
"structure_string": "Tb4 Yb2 S8\n1.0\n6.805623 -0.000000 -2.409500\n-3.401232 5.896578 -2.405034\n-0.003157 -0.000000 7.219570\nTb Yb S\n4 2 8\ndirect\n0.250000 0.628322 0.378322 Tb\n0.621678 0.371678 0.250000 Tb\n0.750000 0.871679 0.121679 Tb\n0.878321 0.128322 0.750000 Tb\n0.125000 0.750000 0.875000 Yb\n0.375000 0.250000 0.625000 Yb\n0.996693 0.855175 0.495876 S\n0.995875 0.355175 0.496693 S\n0.503307 0.999182 0.858482 S\n0.141519 0.144826 0.140701 S\n0.358481 0.499182 0.003307 S\n0.640701 0.644826 0.641519 S\n0.504124 0.000818 0.359299 S\n0.859299 0.500818 0.004125 S\n",
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"elements": [
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"density": 7.098448509794581,
"density_atomic": 0.048329912705998006,
"volume": 289.6756732246802,
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"formula_full": "Tb4 Yb2 S8",
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{
"id": "jvasp-37065",
"created_at": "2022-09-04T14:38:01.529281Z",
"updated_at": "2022-09-04T14:38:01.529311Z",
"structure_string": "Tb1 Tl1 S2\n1.0\n-2.015976 -3.491773 -0.000000\n-4.031952 -0.000000 -0.000000\n-2.015976 -1.163924 -7.476607\nTb Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.499999 0.500001 0.500000 Tl\n0.733352 0.733355 0.799941 S\n0.266646 0.266647 0.200059 S\n",
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"density_atomic": 0.038000917515512544,
"volume": 105.26061636188494,
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"formula_full": "Tb1 Tl1 S2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
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{
"id": "jvasp-110158",
"created_at": "2022-09-04T14:38:07.824149Z",
"updated_at": "2022-09-04T14:38:07.824179Z",
"structure_string": "Tb2 Te1 S2\n1.0\n5.005257 -0.008025 -5.643798\n-0.469891 4.003714 -6.376096\n0.029409 0.008025 7.543486\nTb Te S\n2 1 2\ndirect\n0.833019 0.333018 0.500000 Tb\n0.166982 0.666982 0.500000 Tb\n0.000000 0.000000 0.000000 Te\n0.701338 0.701336 -0.000002 S\n0.298662 0.298661 -0.000001 S\n",
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"formula_full": "Tb2 Te1 S2",
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{
"id": "jvasp-16276",
"created_at": "2022-09-04T14:37:46.646069Z",
"updated_at": "2022-09-04T14:37:46.646090Z",
"structure_string": "Tb2 S4\n1.0\n4.792649 0.000000 2.767037\n1.597550 4.518552 2.767037\n-0.000000 -0.000000 5.534075\nTb S\n2 4\ndirect\n0.125000 0.125000 0.125000 Tb\n0.875000 0.875000 0.875000 Tb\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.500000 0.500000 0.500000 S\n0.500000 0.500000 0.000001 S\n",
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{
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"created_at": "2022-09-04T14:35:50.355244Z",
"updated_at": "2022-09-04T14:35:50.355265Z",
"structure_string": "Tb2 S4\n1.0\n3.878504 0.000000 0.000000\n0.000000 3.878526 -0.003436\n0.000000 0.007132 7.955774\nTb S\n2 4\ndirect\n0.250000 0.249955 0.273682 Tb\n0.749999 0.750045 0.726318 Tb\n0.250000 0.749996 -0.000000 S\n0.749999 0.250005 -0.000000 S\n0.749999 0.749968 0.367844 S\n0.250000 0.250033 0.632155 S\n",
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{
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"created_at": "2022-09-04T14:37:13.806844Z",
"updated_at": "2022-09-04T14:37:13.806874Z",
"structure_string": "Tb8 S12\n1.0\n3.883415 0.000000 0.000000\n0.000000 10.468418 0.000000\n0.000000 0.000000 10.684396\nTb S\n8 12\ndirect\n0.250000 0.996614 0.807364 Tb\n0.750001 0.003387 0.192636 Tb\n0.750001 0.496614 0.692636 Tb\n0.250000 0.503387 0.307364 Tb\n0.250000 0.186826 0.489435 Tb\n0.750001 0.813175 0.510566 Tb\n0.750001 0.686826 0.010566 Tb\n0.250000 0.313174 0.989435 Tb\n0.750001 0.126309 0.954176 S\n0.250000 0.873691 0.045824 S\n0.250000 0.555715 0.880442 S\n0.750001 0.444286 0.119558 S\n0.750001 0.055714 0.619559 S\n0.750001 0.697548 0.272060 S\n0.250000 0.197548 0.227941 S\n0.750001 0.802452 0.772060 S\n0.750001 0.373691 0.454176 S\n0.250000 0.302452 0.727941 S\n0.250000 0.944286 0.380442 S\n0.250000 0.626309 0.545824 S\n",
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{
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"structure_string": "Tb1 S1\n1.0\n3.394381 0.000000 1.959747\n1.131460 3.200253 1.959747\n-0.000000 -0.000000 3.919493\nTb S\n1 1\ndirect\n0.500000 0.500000 0.500001 Tb\n0.000000 0.000000 0.000000 S\n",
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{
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}