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{
"id": "jvasp-117177",
"created_at": "2022-09-04T14:38:48.907111Z",
"updated_at": "2022-09-04T14:38:48.907128Z",
"structure_string": "Sm8 Sb20\n1.0\n4.257145 0.000000 0.000000\n-0.000000 13.125642 2.819352\n0.000000 0.056415 14.974666\nSm Sb\n8 20\ndirect\n0.250000 0.668725 0.577861 Sm\n0.750001 0.331275 0.422139 Sm\n0.250000 0.391557 0.771489 Sm\n0.750001 0.608443 0.228511 Sm\n0.250000 0.951918 0.362671 Sm\n0.750001 0.048081 0.637330 Sm\n0.250000 0.662275 0.855223 Sm\n0.750001 0.337724 0.144777 Sm\n0.750001 0.287049 0.650510 Sb\n0.250000 0.140278 0.778776 Sb\n0.750001 0.859722 0.221224 Sb\n0.750001 0.856469 0.519864 Sb\n0.750001 0.574595 0.734913 Sb\n0.250000 0.143531 0.480136 Sb\n0.250000 0.712951 0.349490 Sb\n0.250000 0.425405 0.265087 Sb\n0.750001 0.848886 0.825692 Sb\n0.750001 0.580800 0.024510 Sb\n0.750001 0.138665 0.322364 Sb\n0.250000 0.861334 0.677636 Sb\n0.250000 0.970640 0.099128 Sb\n0.250000 0.419200 0.975490 Sb\n0.750001 0.279373 0.940213 Sb\n0.250000 0.720627 0.059787 Sb\n0.750001 0.575234 0.448035 Sb\n0.250000 0.424766 0.551966 Sb\n0.250000 0.151113 0.174308 Sb\n0.750001 0.029359 0.900872 Sb\n",
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{
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},
{
"id": "jvasp-101121",
"created_at": "2022-09-04T14:37:04.226790Z",
"updated_at": "2022-09-04T14:37:04.226805Z",
"structure_string": "Sm2 Sb1 S1\n1.0\n4.259115 -0.000000 0.000000\n0.000000 4.259115 0.000000\n0.000000 -0.000000 6.024393\nSm Sb S\n2 1 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.500001 0.500001 -0.000000 Sm\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500001 0.500000 S\n",
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"formula_full": "Sm2 Sb1 S1",
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{
"id": "jvasp-13063",
"created_at": "2022-09-04T14:36:50.823399Z",
"updated_at": "2022-09-04T14:36:50.823418Z",
"structure_string": "Sm4 S2 Cl8\n1.0\n5.904069 -0.000000 -2.484037\n-0.381614 6.957323 -0.907022\n-0.003197 0.000683 8.250828\nSm S Cl\n4 2 8\ndirect\n0.685288 0.422009 0.785301 Sm\n0.899986 0.077990 0.214699 Sm\n0.314712 0.577990 0.214699 Sm\n0.100014 0.922009 0.785301 Sm\n0.932077 0.750000 -0.000000 S\n0.067923 0.250000 0.000000 S\n0.303651 0.572901 0.823300 Cl\n0.480351 0.927098 0.176700 Cl\n0.696350 0.427098 0.176700 Cl\n0.519649 0.072901 0.823300 Cl\n0.698724 0.681795 0.558621 Cl\n0.140103 0.818204 0.441379 Cl\n0.301277 0.318204 0.441379 Cl\n0.859898 0.181795 0.558621 Cl\n",
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"density": 4.6513417111433615,
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"volume": 338.8643141410644,
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{
"id": "jvasp-50118",
"created_at": "2022-09-04T14:37:02.026205Z",
"updated_at": "2022-09-04T14:37:02.026225Z",
"structure_string": "Sm8 Se8 O4\n1.0\n0.000000 7.248014 0.021985\n7.224709 0.000000 0.000000\n0.000000 -1.534455 -8.596650\nSm Se O\n8 8 4\ndirect\n0.247733 0.448266 0.857176 Sm\n0.747733 0.051734 0.857176 Sm\n0.328828 0.849623 0.573142 Sm\n0.828828 0.650377 0.573142 Sm\n0.171171 0.349623 0.426858 Sm\n0.671171 0.150377 0.426859 Sm\n0.252266 0.948266 0.142825 Sm\n0.752266 0.551735 0.142825 Sm\n0.529754 0.220495 0.077260 Se\n0.029754 0.279505 0.077260 Se\n0.925151 0.875037 0.317369 Se\n0.425151 0.624963 0.317369 Se\n0.970245 0.720495 0.922741 Se\n0.074848 0.124963 0.682632 Se\n0.470245 0.779505 0.922740 Se\n0.574848 0.375037 0.682632 Se\n0.350003 0.085018 0.386383 O\n0.149996 0.585018 0.613617 O\n0.649995 0.914982 0.613617 O\n0.850003 0.414982 0.386384 O\n",
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"formula_full": "Sm8 Se8 O4",
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"spacegroup": 14
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{
"id": "jvasp-50061",
"created_at": "2022-09-04T14:36:57.276344Z",
"updated_at": "2022-09-04T14:36:57.276361Z",
"structure_string": "Sm8 Se8 O4\n1.0\n4.003201 0.000000 0.000000\n-0.000000 7.142835 0.000000\n0.000000 0.000000 16.331265\nSm Se O\n8 8 4\ndirect\n0.250000 0.699541 0.038696 Sm\n0.250000 0.259553 0.162498 Sm\n0.750000 0.759553 0.337502 Sm\n0.750000 0.199541 0.461304 Sm\n0.250000 0.800460 0.538696 Sm\n0.250000 0.240447 0.662498 Sm\n0.750000 0.740448 0.837502 Sm\n0.750000 0.300459 0.961304 Sm\n0.250000 0.989823 0.900209 Se\n0.250000 0.447233 0.820683 Se\n0.750000 0.947233 0.679317 Se\n0.750000 0.489823 0.599792 Se\n0.750000 0.552768 0.179317 Se\n0.250000 0.052767 0.320683 Se\n0.750000 0.010178 0.099792 Se\n0.250000 0.510178 0.400208 Se\n0.250000 0.128507 0.530534 O\n0.250000 0.371493 0.030534 O\n0.750000 0.871493 0.469466 O\n0.750000 0.628508 0.969466 O\n",
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"volume": 466.97952649658725,
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"formula_full": "Sm8 Se8 O4",
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{
"id": "jvasp-49222",
"created_at": "2022-09-04T14:38:35.823030Z",
"updated_at": "2022-09-04T14:38:35.823061Z",
"structure_string": "Sm8 Se12\n1.0\n4.109688 -0.000000 0.000000\n-0.000000 11.072796 0.000000\n0.000000 0.000000 11.358939\nSm Se\n8 12\ndirect\n0.250000 0.998073 0.694034 Sm\n0.750000 0.001928 0.305966 Sm\n0.750000 0.498072 0.805966 Sm\n0.250000 0.501928 0.194034 Sm\n0.250000 0.312918 0.512478 Sm\n0.750000 0.687083 0.487522 Sm\n0.750000 0.812918 0.987522 Sm\n0.250000 0.187083 0.012478 Sm\n0.750000 0.698907 0.227661 Se\n0.250000 0.301093 0.772339 Se\n0.250000 0.625195 0.955059 Se\n0.750000 0.374806 0.044941 Se\n0.750000 0.125194 0.544941 Se\n0.250000 0.943731 0.119858 Se\n0.750000 0.443731 0.380142 Se\n0.250000 0.556269 0.619858 Se\n0.750000 0.801094 0.727661 Se\n0.750000 0.056269 0.880143 Se\n0.250000 0.874806 0.455059 Se\n0.250000 0.198907 0.272339 Se\n",
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"formula_full": "Sm8 Se12",
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{
"id": "jvasp-3252",
"created_at": "2022-09-04T14:35:43.387900Z",
"updated_at": "2022-09-04T14:35:43.387918Z",
"structure_string": "Sm2 Se1 O2\n1.0\n1.970730 -3.413404 0.000000\n1.970730 3.413404 0.000000\n0.000000 0.000000 6.958026\nSm Se O\n2 1 2\ndirect\n0.333333 0.666667 0.288729 Sm\n0.666667 0.333333 0.711271 Sm\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.625905 O\n0.666667 0.333333 0.374096 O\n",
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{
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"created_at": "2022-09-04T14:36:07.082592Z",
"updated_at": "2022-09-04T14:36:07.082619Z",
"structure_string": "Sm4 Se6 O18\n1.0\n6.779462 -0.063310 -1.749393\n-3.859098 6.823978 -0.840974\n0.008520 0.102069 9.050921\nSm Se O\n4 6 18\ndirect\n0.022075 0.650605 0.319445 Sm\n0.977924 0.349395 0.680556 Sm\n0.464082 0.683226 0.129506 Sm\n0.535918 0.316775 0.870494 Sm\n0.647868 0.772184 0.516658 Se\n0.964919 0.775617 0.957211 Se\n0.624428 0.168311 0.256635 Se\n0.035081 0.224384 0.042790 Se\n0.375572 0.831690 0.743365 Se\n0.352132 0.227816 0.483343 Se\n0.239607 0.337607 0.948507 O\n0.137835 0.432722 0.186571 O\n0.872041 0.330592 0.409034 O\n0.652374 0.338946 0.144296 O\n0.181928 0.784080 0.103393 O\n0.285296 0.322750 0.635654 O\n0.852178 0.006590 0.599338 O\n0.862164 0.567278 0.813429 O\n0.434447 0.794734 0.384618 O\n0.760393 0.662394 0.051494 O\n0.347626 0.661055 0.855704 O\n0.818071 0.215921 0.896607 O\n0.147822 0.993411 0.400663 O\n0.565553 0.205266 0.615382 O\n0.700144 0.020750 0.162322 O\n0.299856 0.979250 0.837678 O\n0.127958 0.669408 0.590967 O\n0.714704 0.677251 0.364347 O\n",
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{
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"structure_string": "Sm2 Si3 Ni1\n1.0\n4.039894 0.000000 0.000000\n-2.019948 3.498650 0.000000\n-0.000000 -0.000000 8.242670\nSm Si Ni\n2 3 1\ndirect\n0.333333 0.666667 0.243085 Sm\n0.333333 0.666667 0.756915 Sm\n0.666666 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.666666 0.333333 -0.000000 Ni\n",
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{
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{
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"structure_string": "Sm2 Si3 Pt1\n1.0\n4.043135 -0.003249 -6.610192\n-0.306928 3.908168 -6.683832\n0.007668 0.003249 7.748647\nSm Si Pt\n2 3 1\ndirect\n0.128386 0.128385 0.000000 Sm\n0.371725 0.871725 0.500001 Sm\n0.705227 0.705227 0.000001 Si\n0.540351 0.540351 0.000001 Si\n0.794649 0.294648 0.500002 Si\n0.959665 0.459664 0.500002 Pt\n",
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}
]
}