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{
"id": "jvasp-29183",
"created_at": "2022-09-04T14:35:47.829858Z",
"updated_at": "2022-09-04T14:35:47.829885Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.401934 0.000000 0.000000\n-1.700966 2.946670 0.000344\n0.000000 0.004238 35.550331\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333315 0.666633 0.335831 Te\n0.333165 0.666334 0.712352 Te\n0.333471 0.666946 0.230209 Te\n0.333328 0.666660 0.606772 Te\n0.333438 0.666878 0.089003 Mo\n0.666705 0.333414 0.282998 Mo\n0.666559 0.333119 0.659627 Mo\n0.333253 0.666510 0.471284 W\n0.666825 0.333652 0.042686 Se\n0.666693 0.333387 0.135418 Se\n0.666689 0.333378 0.428845 S\n0.666547 0.333096 0.513724 S\n",
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{
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"structure_string": "K2 Sb1 Au1 Cl6\n1.0\n6.485572 -0.000000 3.744447\n2.161858 6.114656 3.744447\n0.000000 0.000000 7.488894\nK Sb Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.749928 0.250072 0.250072 Cl\n0.250072 0.250072 0.749928 Cl\n0.250072 0.749929 0.749928 Cl\n0.250072 0.749929 0.250072 Cl\n0.749928 0.250072 0.749928 Cl\n0.749928 0.749929 0.250072 Cl\n",
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{
"id": "jvasp-28990",
"created_at": "2022-09-04T14:37:40.763633Z",
"updated_at": "2022-09-04T14:37:40.763654Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.320113 0.000000 0.000000\n-1.660057 2.875312 0.000027\n0.000000 0.000363 37.332247\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.666642 0.333285 0.042950 Te\n0.666643 0.333286 0.145195 Te\n0.333312 0.666626 0.093840 Mo\n0.333298 0.666598 0.469699 W\n0.666681 0.333364 0.281907 W\n0.666683 0.333368 0.657507 W\n0.666639 0.333279 0.424427 Se\n0.666644 0.333288 0.514832 Se\n0.333362 0.666728 0.323021 S\n0.333360 0.666724 0.698445 S\n0.333360 0.666724 0.240624 S\n0.333360 0.666721 0.616301 S\n",
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],
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"density": 5.539244484656598,
"density_atomic": 0.03367125265184571,
"volume": 356.38709744712196,
"volume_molar": 17.885110548953374,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
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{
"id": "jvasp-118244",
"created_at": "2022-09-04T14:38:50.748124Z",
"updated_at": "2022-09-04T14:38:50.748152Z",
"structure_string": "Sn1 I1 F1\n1.0\n3.221993 0.000000 -0.000000\n-0.000000 3.221993 -0.000000\n-0.000000 -0.000000 8.582719\nSn I F\n1 1 1\ndirect\n0.000000 0.000000 0.594116 Sn\n0.000000 0.000000 0.000307 I\n0.000000 0.000000 0.362265 F\n",
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{
"id": "jvasp-35711",
"created_at": "2022-09-04T14:37:29.263888Z",
"updated_at": "2022-09-04T14:37:29.263905Z",
"structure_string": "Ga2 Sb2\n1.0\n4.363506 -0.000000 0.000000\n-2.181753 3.778769 -0.000000\n-0.000000 0.000000 7.205060\nGa Sb\n2 2\ndirect\n0.666676 0.333350 0.500586 Ga\n0.333326 0.666650 0.000586 Ga\n0.666665 0.333328 0.874313 Sb\n0.333337 0.666672 0.374314 Sb\n",
"nsites": 4,
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{
"id": "jvasp-17904",
"created_at": "2022-09-04T14:36:56.740057Z",
"updated_at": "2022-09-04T14:36:56.740081Z",
"structure_string": "Y1 Sb1\n1.0\n3.792957 0.000000 2.189865\n1.264319 3.576034 2.189865\n-0.000000 -0.000000 4.379729\nY Sb\n1 1\ndirect\n0.500001 0.499999 0.500001 Y\n0.000000 0.000000 0.000000 Sb\n",
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"elements": [
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{
"id": "jvasp-14864",
"created_at": "2022-09-04T14:36:10.024420Z",
"updated_at": "2022-09-04T14:36:10.024454Z",
"structure_string": "Y1 Sb1\n1.0\n3.792957 0.000000 2.189865\n1.264319 3.576034 2.189865\n-0.000000 -0.000000 4.379729\nY Sb\n1 1\ndirect\n0.500001 0.499999 0.500001 Y\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-69141",
"created_at": "2022-09-04T14:36:19.471345Z",
"updated_at": "2022-09-04T14:36:19.471367Z",
"structure_string": "Ba1 Ge2 Br1\n1.0\n4.289582 -0.000000 0.000000\n-0.000000 4.289582 -0.000000\n-0.000000 -0.000000 6.456965\nBa Ge Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.693772 Ge\n0.000000 0.000000 0.306229 Ge\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
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},
{
"id": "jvasp-104514",
"created_at": "2022-09-04T14:36:40.105095Z",
"updated_at": "2022-09-04T14:36:40.105115Z",
"structure_string": "K2 Tb1 Ag1 Cl6\n1.0\n6.485946 -0.000000 3.744663\n2.161982 6.115008 3.744663\n-0.000000 -0.000000 7.489325\nTb K Ag Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.752522 0.247478 0.247478 Cl\n0.247478 0.247478 0.752522 Cl\n0.247478 0.752522 0.752522 Cl\n0.247478 0.752522 0.247478 Cl\n0.752522 0.247478 0.752522 Cl\n0.752522 0.752522 0.247478 Cl\n",
"nsites": 10,
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{
"id": "jvasp-94383",
"created_at": "2022-09-04T14:36:01.702669Z",
"updated_at": "2022-09-04T14:36:01.702689Z",
"structure_string": "Y4 Mg2\n1.0\n3.504184 -0.000000 0.000000\n-1.752091 3.034712 0.000000\n0.000000 -0.000000 16.760077\nY Mg\n4 2\ndirect\n0.333333 0.666666 0.500000 Y\n0.000000 0.000000 0.329011 Y\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.670989 Y\n0.333333 0.666666 0.163913 Mg\n0.333333 0.666666 0.836088 Mg\n",
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{
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"created_at": "2022-09-04T14:38:18.621071Z",
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"structure_string": "Sr1 Ac1 Ga2\n1.0\n4.779064 -0.000000 2.759194\n1.593021 4.505745 2.759194\n-0.000000 -0.000000 5.518388\nSr Ac Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500001 0.500000 Ac\n0.749999 0.750001 0.749999 Ga\n0.250000 0.250000 0.250000 Ga\n",
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{
"id": "jvasp-101507",
"created_at": "2022-09-04T14:36:57.577538Z",
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