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{
"id": "jvasp-37389",
"created_at": "2022-09-04T14:37:56.338164Z",
"updated_at": "2022-09-04T14:37:56.338191Z",
"structure_string": "Th3 Br1\n1.0\n-2.474045 2.474045 5.023424\n2.474045 -2.474045 5.023424\n2.474045 2.474045 -5.023424\nTh Br\n3 1\ndirect\n0.749998 0.250000 0.499998 Th\n0.250000 0.749998 0.499998 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.353544 -0.000002 0.000005\n-1.676773 2.904235 0.000009\n0.000061 0.000149 37.882285\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333357 0.666717 0.707742 Te\n0.333356 0.666709 0.607242 Te\n0.333316 0.666627 0.093934 Mo\n0.333318 0.666636 0.469611 W\n0.666679 0.333361 0.281809 W\n0.666688 0.333380 0.657595 W\n0.666641 0.333281 0.050206 Se\n0.666639 0.333280 0.425396 Se\n0.666649 0.333297 0.137878 Se\n0.666647 0.333293 0.513761 Se\n0.333359 0.666716 0.322066 S\n0.333348 0.666701 0.241510 S\n",
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{
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"updated_at": "2022-09-04T14:38:05.435207Z",
"structure_string": "Ca1 Tl1 Cl3\n1.0\n5.357127 -0.034240 0.032704\n-0.032265 5.357023 -0.035630\n0.035709 -0.033622 5.357310\nCa Tl Cl\n1 1 3\ndirect\n0.515517 0.496490 0.501604 Ca\n0.959267 0.052809 0.943409 Tl\n0.533124 -0.006134 0.520478 Cl\n0.018137 0.478501 0.520186 Cl\n0.533956 0.478338 0.004318 Cl\n",
"nsites": 5,
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"elements": [
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{
"id": "jvasp-121211",
"created_at": "2022-09-04T14:38:55.263338Z",
"updated_at": "2022-09-04T14:38:55.263361Z",
"structure_string": "Mg2 Br1\n1.0\n3.640560 0.000000 0.000000\n0.000000 3.501974 0.000000\n0.000000 0.000000 7.234626\nMg Br\n2 1\ndirect\n-0.033326 0.000000 0.699010 Mg\n-0.033326 0.000000 0.300990 Mg\n0.466651 0.000000 0.000000 Br\n",
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"spacegroup": 47
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{
"id": "jvasp-68657",
"created_at": "2022-09-04T14:36:00.235577Z",
"updated_at": "2022-09-04T14:36:00.235596Z",
"structure_string": "Be1 Sb1 Te2\n1.0\n-2.028351 2.028351 7.472456\n2.028351 -2.028351 7.472456\n2.028351 2.028351 -7.472456\nBe Sb Te\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Sb\n0.000000 0.000000 0.000000 Te\n0.250000 0.750000 0.500000 Te\n",
"nsites": 4,
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{
"id": "jvasp-102067",
"created_at": "2022-09-04T14:37:06.496329Z",
"updated_at": "2022-09-04T14:37:06.496356Z",
"structure_string": "K1 Au1 Br3\n1.0\n5.356746 0.000000 0.000000\n0.000000 5.356746 0.000000\n-0.000000 -0.000000 5.356746\nK Au Br\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n0.000000 0.500000 0.000000 Br\n",
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{
"id": "jvasp-116943",
"created_at": "2022-09-04T14:38:47.339639Z",
"updated_at": "2022-09-04T14:38:47.339657Z",
"structure_string": "Ba4 In2 Sb2 Se10\n1.0\n9.860121 0.015834 0.000000\n-8.908040 4.227181 0.000000\n-0.000000 -0.000000 13.231190\nBa In Sb Se\n4 2 2 10\ndirect\n0.886520 0.113479 0.812071 Ba\n0.113479 0.886520 0.312071 Ba\n0.870489 0.129509 0.189510 Ba\n0.129509 0.870490 0.689510 Ba\n0.560275 0.439724 0.053480 In\n0.439724 0.560275 0.553480 In\n0.782316 0.217683 0.477580 Sb\n0.217683 0.782316 0.977580 Sb\n0.355595 0.644404 0.998434 Se\n0.644404 0.355595 0.498434 Se\n0.310246 0.689753 0.634002 Se\n0.689753 0.310245 0.134002 Se\n0.954723 0.045275 0.439700 Se\n0.716707 0.283292 0.834959 Se\n0.045276 0.954723 0.939700 Se\n0.496130 0.503869 0.225424 Se\n0.283292 0.716707 0.334959 Se\n0.503869 0.496130 0.725424 Se\n",
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"formula_full": "Ba4 In2 Sb2 Se10",
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{
"id": "jvasp-100539",
"created_at": "2022-09-04T14:36:34.186520Z",
"updated_at": "2022-09-04T14:36:34.186547Z",
"structure_string": "Tb1 Ho1\n1.0\n3.562765 0.000000 -0.000000\n-1.781384 3.085446 -0.000000\n0.000000 -0.000000 5.592593\nTb Ho\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333335 0.666668 0.500000 Ho\n",
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{
"id": "jvasp-13023",
"created_at": "2022-09-04T14:37:04.031694Z",
"updated_at": "2022-09-04T14:37:04.031739Z",
"structure_string": "Hf1 Te4 Cl6\n1.0\n6.718259 -0.347817 0.265088\n0.875103 6.655041 0.156764\n2.057536 1.461493 7.621205\nHf Te Cl\n1 4 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.413303 0.509121 0.289097 Te\n0.586698 0.490878 0.710902 Te\n0.681132 0.270209 0.452117 Te\n0.318868 0.729790 0.547883 Te\n0.019304 0.210010 0.697808 Cl\n-0.019304 0.789990 0.302191 Cl\n0.129949 0.281379 0.080068 Cl\n0.870051 0.718620 0.919932 Cl\n0.640450 0.119885 0.110701 Cl\n0.359550 0.880114 0.889298 Cl\n",
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"formula_full": "Hf1 Te4 Cl6",
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{
"id": "jvasp-28962",
"created_at": "2022-09-04T14:35:48.176358Z",
"updated_at": "2022-09-04T14:35:48.176368Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.352227 0.000000 0.000000\n-1.676114 2.903123 -0.000022\n0.000000 -0.000285 37.902076\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333355 0.666711 0.707793 Te\n0.333353 0.666705 0.607177 Te\n0.333314 0.666626 0.469600 Mo\n0.666692 0.333381 0.281758 Mo\n0.333309 0.666616 0.093940 W\n0.666687 0.333373 0.657585 W\n0.333357 0.666714 0.325820 Se\n0.666645 0.333289 0.425619 Se\n0.666647 0.333291 0.513612 Se\n0.333354 0.666707 0.237789 Se\n0.666644 0.333285 0.053848 S\n0.666646 0.333289 0.134206 S\n",
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"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.350700 0.000000 0.000000\n-1.675350 2.901706 0.000006\n0.000000 0.000082 37.937828\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.666644 0.333286 0.419600 Te\n0.666643 0.333286 0.519686 Te\n0.333330 0.666662 0.093971 Mo\n0.333316 0.666633 0.469678 Mo\n0.666680 0.333359 0.281733 W\n0.666684 0.333369 0.657576 W\n0.333357 0.666714 0.325878 Se\n0.333358 0.666718 0.701547 Se\n0.333355 0.666712 0.237547 Se\n0.333362 0.666726 0.613439 Se\n0.666636 0.333272 0.054085 S\n0.666636 0.333272 0.134008 S\n",
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{
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"created_at": "2022-09-04T14:38:35.047734Z",
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"structure_string": "Ce2 Te4\n1.0\n4.540386 0.000000 0.000000\n0.000000 4.540386 0.000000\n-0.000000 0.000000 8.946223\nCe Te\n2 4\ndirect\n0.000000 0.500000 0.731228 Ce\n0.500000 0.000000 0.268772 Ce\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500000 0.366238 Te\n0.500000 0.000000 0.633762 Te\n",
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