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{
"id": "jvasp-44231",
"created_at": "2022-09-04T14:38:08.931809Z",
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{
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"updated_at": "2022-09-04T14:35:40.730010Z",
"structure_string": "Rh3 Pb2 Se2\n1.0\n2.910142 1.680171 4.898367\n-2.910142 1.680171 4.898367\n0.000000 -3.360342 4.898367\nRh Pb Se\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.787895 0.787895 0.787895 Se\n0.212106 0.212106 0.212106 Se\n",
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{
"id": "jvasp-94837",
"created_at": "2022-09-04T14:35:55.873193Z",
"updated_at": "2022-09-04T14:35:55.873223Z",
"structure_string": "In2 Rh3 S2\n1.0\n2.839945 1.639644 4.570413\n-2.839945 1.639644 4.570413\n-0.000000 -3.279286 4.570413\nIn Rh S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 In\n0.499999 0.499999 0.500001 In\n-0.000000 -0.000000 0.500000 Rh\n-0.000001 0.500000 0.000000 Rh\n0.500000 -0.000001 0.000000 Rh\n0.714945 0.714945 0.714947 S\n0.285054 0.285054 0.285055 S\n",
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"formula_full": "In2 Rh3 S2",
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{
"id": "jvasp-8127",
"created_at": "2022-09-04T14:36:48.096428Z",
"updated_at": "2022-09-04T14:36:48.096445Z",
"structure_string": "K2 Sn2 O3\n1.0\n5.166002 -0.042690 2.779347\n1.641570 4.898434 2.779347\n-0.059848 -0.042690 5.865899\nK Sn O\n2 2 3\ndirect\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 K\n0.244311 0.244311 0.244311 Sn\n0.755689 0.755688 0.755691 Sn\n0.000000 0.500000 0.000000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
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{
"id": "jvasp-38897",
"created_at": "2022-09-04T14:37:37.309881Z",
"updated_at": "2022-09-04T14:37:37.309903Z",
"structure_string": "Bi4 Rh6 S4\n1.0\n-5.760412 -4.202713 0.049359\n5.760412 -4.202713 -0.049359\n0.152514 4.202713 5.858216\nBi Rh S\n4 6 4\ndirect\n0.252853 0.994286 0.247138 Bi\n0.748651 0.497883 0.246533 Bi\n0.251350 0.502117 0.753468 Bi\n0.747148 0.005714 0.752863 Bi\n-0.000000 0.499999 -0.000000 Rh\n0.246251 0.246251 -0.000000 Rh\n0.753748 0.753748 -0.000000 Rh\n0.500000 0.000001 0.000000 Rh\n0.004317 0.243582 0.247897 Rh\n-0.004315 0.756418 0.752103 Rh\n0.304210 0.548313 0.308082 S\n0.759769 0.003872 0.308082 S\n0.695790 0.451688 0.691918 S\n0.240231 0.996129 0.691919 S\n",
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{
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"structure_string": "Dy2 Al3 Si2\n1.0\n4.056778 0.000000 0.000000\n-2.028389 5.014205 -0.971042\n0.000000 0.001302 6.643514\nDy Al Si\n2 3 2\ndirect\n0.380529 0.761056 0.678519 Dy\n0.619472 0.238944 0.321481 Dy\n0.694765 0.389530 0.866249 Al\n0.000000 0.000000 0.000000 Al\n0.305236 0.610471 0.133751 Al\n0.906322 0.812644 0.361006 Si\n0.093678 0.187357 0.638994 Si\n",
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"density_atomic": 0.05179649527634831,
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"spacegroup": 12
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{
"id": "jvasp-18503",
"created_at": "2022-09-04T14:36:44.686795Z",
"updated_at": "2022-09-04T14:36:44.686805Z",
"structure_string": "U3 Si2 C2\n1.0\n3.596452 -0.000000 -0.668772\n-0.124361 3.594301 -0.668772\n-0.207260 -0.214556 8.890108\nU Si C\n3 2 2\ndirect\n0.826387 0.826386 0.652776 U\n0.173612 0.173612 0.347225 U\n0.000000 0.000000 0.000000 U\n0.584139 0.584138 0.168278 Si\n0.415861 0.415860 0.831723 Si\n0.695382 0.695381 0.390765 C\n0.304618 0.304617 0.609236 C\n",
"nsites": 7,
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"volume": 113.88793402195685,
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{
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"created_at": "2022-09-04T14:37:54.886425Z",
"updated_at": "2022-09-04T14:37:54.886443Z",
"structure_string": "Tm2 Al3 Si2\n1.0\n4.021032 0.000000 0.000000\n-2.010516 4.958907 -0.917088\n0.000000 -0.000312 6.588749\nTm Al Si\n2 3 2\ndirect\n0.381004 0.762011 0.678269 Tm\n0.618995 0.237990 0.321731 Tm\n0.695278 0.390558 0.866556 Al\n0.000000 0.000000 0.000000 Al\n0.304722 0.609444 0.133444 Al\n0.905242 0.810486 0.362112 Si\n0.094757 0.189515 0.637888 Si\n",
"nsites": 7,
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"elements": [
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{
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"created_at": "2022-09-04T14:37:27.580053Z",
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"structure_string": "Ni3 Bi2 S2\n1.0\n4.927173 -0.039549 2.495515\n1.516402 4.688190 2.495515\n-0.054820 -0.039549 5.522827\nNi Bi S\n3 2 2\ndirect\n0.000000 -0.000000 0.500000 Ni\n-0.000000 0.500000 -0.000000 Ni\n0.500000 -0.000000 -0.000000 Ni\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.727102 0.727103 0.727103 S\n0.272897 0.272897 0.272897 S\n",
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{
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"structure_string": "Dy2 Cr2 C3\n1.0\n0.000000 -3.389055 0.000000\n-4.984875 1.694527 1.430699\n-0.027019 0.000000 -5.559028\nDy Cr C\n2 2 3\ndirect\n0.394954 0.789909 0.683286 Dy\n0.605044 0.210092 0.316714 Dy\n0.157023 0.314047 0.889598 Cr\n0.842975 0.685954 0.110403 Cr\n0.712901 0.425806 0.770788 C\n0.287097 0.574195 0.229212 C\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:38:09.530023Z",
"updated_at": "2022-09-04T14:38:09.530039Z",
"structure_string": "Na4 Mn4 O6\n1.0\n0.000000 5.691439 0.056448\n6.299065 0.000000 0.000000\n0.000000 -2.691217 -5.527442\nNa Mn O\n4 4 6\ndirect\n0.064780 0.362670 0.758451 Na\n0.564780 0.137330 0.758451 Na\n0.435219 0.862670 0.241549 Na\n0.935219 0.637331 0.241548 Na\n0.480320 0.621182 0.697986 Mn\n0.019679 0.121182 0.302013 Mn\n0.980320 0.878819 0.697986 Mn\n0.519679 0.378818 0.302013 Mn\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.241668 0.879108 0.552817 O\n0.258331 0.379108 0.447182 O\n0.741668 0.620893 0.552817 O\n0.758331 0.120893 0.447182 O\n",
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}