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{
"id": "jvasp-28737",
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"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.223418 0.000000 0.000000\n-1.611709 2.791587 -0.000004\n0.000000 -0.000081 34.042421\nMo W Se S\n3 1 2 6\ndirect\n0.333306 0.666613 0.093382 Mo\n0.333337 0.666674 0.471944 Mo\n0.666678 0.333354 0.282679 Mo\n0.666683 0.333365 0.654908 W\n0.333347 0.666693 0.332935 Se\n0.333337 0.666675 0.232425 Se\n0.333345 0.666690 0.700842 S\n0.666643 0.333284 0.047700 S\n0.666672 0.333343 0.426207 S\n0.666640 0.333280 0.139124 S\n0.666672 0.333342 0.517660 S\n0.333347 0.666694 0.608940 S\n",
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{
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"structure_string": "Zn1 Cr4 Cd1 Se8\n1.0\n6.552737 0.000000 3.783224\n2.184245 6.177979 3.783224\n0.000000 0.000000 7.566449\nZn Cr Cd Se\n1 4 1 8\ndirect\n0.500001 0.500000 0.499999 Zn\n0.623879 0.125374 0.125374 Cr\n0.125375 0.623878 0.125374 Cr\n0.125374 0.125374 0.623878 Cr\n0.125374 0.125374 0.125374 Cr\n0.750001 0.750000 0.749999 Cd\n0.329885 0.890038 0.890037 Se\n0.890039 0.329884 0.890037 Se\n0.890039 0.890038 0.329883 Se\n0.890039 0.890038 0.890037 Se\n0.906073 0.364642 0.364641 Se\n0.364643 0.906072 0.364641 Se\n0.364643 0.364642 0.906072 Se\n0.364643 0.364642 0.364642 Se\n",
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{
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"updated_at": "2022-09-04T14:38:09.429622Z",
"structure_string": "Ta4 H8 O14\n1.0\n4.776801 5.603597 0.000000\n0.000000 5.603597 5.721507\n4.776801 0.000000 5.721507\nTa H O\n4 8 14\ndirect\n0.459562 0.972971 0.494916 Ta\n0.427449 0.505084 0.027030 Ta\n0.972970 0.459563 0.572551 Ta\n0.505084 0.427449 0.540438 Ta\n0.270250 0.270251 -0.020250 H\n0.020250 0.020251 0.729750 H\n0.245202 0.039323 0.207242 H\n0.039323 0.245203 0.008232 H\n0.792758 0.991769 0.754797 H\n0.991768 0.792759 -0.039324 H\n0.637470 0.637470 0.112530 H\n0.887470 0.887470 0.362530 H\n0.762905 0.473112 0.470442 O\n0.375864 0.866394 0.392575 O\n0.866393 0.375864 0.865169 O\n0.420547 0.420548 0.829453 O\n0.800476 0.800477 0.449524 O\n0.473111 0.762905 0.793542 O\n0.529558 0.206459 0.237095 O\n0.134831 0.607425 0.133607 O\n0.550476 0.550476 0.199524 O\n0.170547 0.170547 0.579453 O\n0.206458 0.529559 0.526889 O\n0.929962 0.929963 0.820038 O\n0.607425 0.134832 0.624136 O\n0.179962 0.179962 0.070038 O\n",
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{
"id": "jvasp-11362",
"created_at": "2022-09-04T14:37:19.359390Z",
"updated_at": "2022-09-04T14:37:19.359416Z",
"structure_string": "K2 Pt4 Se6\n1.0\n6.469388 -0.074621 4.092577\n2.216277 6.078377 4.092577\n-0.107955 -0.074621 7.654445\nK Pt Se\n2 4 6\ndirect\n0.200956 0.200956 0.200955 K\n0.799045 0.799045 0.799044 K\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.499999 Pt\n0.500000 0.500000 0.000000 Pt\n0.762253 0.762254 0.275250 Se\n0.237747 0.724750 0.237747 Se\n0.762254 0.275250 0.762252 Se\n0.275251 0.762254 0.762252 Se\n0.237748 0.237747 0.724749 Se\n0.724750 0.237747 0.237747 Se\n",
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{
"id": "jvasp-11966",
"created_at": "2022-09-04T14:35:55.934628Z",
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"structure_string": "Mg12 Ni6\n1.0\n5.188746 0.000000 -0.000000\n-2.594373 4.493586 -0.000000\n-0.000000 0.000000 13.135996\nMg Ni\n12 6\ndirect\n0.500000 0.000000 0.116138 Mg\n0.835837 0.671671 0.000000 Mg\n0.164165 0.835836 0.333333 Mg\n0.671671 0.835836 0.666667 Mg\n0.835836 0.164165 0.333333 Mg\n0.164165 0.328330 0.000000 Mg\n0.328330 0.164165 0.666667 Mg\n0.500001 0.500000 0.217195 Mg\n0.500000 0.000000 0.883862 Mg\n0.000001 0.500000 0.782805 Mg\n0.500001 0.500000 0.449472 Mg\n0.000001 0.500000 0.550528 Mg\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.166667 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.833333 Ni\n0.000001 0.500000 0.166667 Ni\n0.500001 0.500000 0.833333 Ni\n",
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{
"id": "jvasp-20405",
"created_at": "2022-09-04T14:37:37.587347Z",
"updated_at": "2022-09-04T14:37:37.587375Z",
"structure_string": "Mg12 Ni6\n1.0\n2.594372 -4.493584 -0.000000\n2.594372 4.493584 0.000000\n-0.000000 -0.000000 13.136000\nMg Ni\n12 6\ndirect\n0.500000 0.500000 0.717195 Mg\n0.835835 0.164164 0.833333 Mg\n0.164164 0.328330 0.500000 Mg\n0.671669 0.835835 0.166667 Mg\n0.835835 0.671669 0.500000 Mg\n0.164164 0.835835 0.833333 Mg\n0.328330 0.164164 0.166667 Mg\n0.500000 0.000000 0.616138 Mg\n0.500000 0.500000 0.949472 Mg\n0.000000 0.500000 0.050528 Mg\n0.500000 0.000000 0.383862 Mg\n0.000000 0.500000 0.282805 Mg\n0.500000 0.500000 0.333333 Ni\n0.000000 0.000000 0.666667 Ni\n0.000000 0.000000 0.333333 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.666667 Ni\n0.500000 0.000000 0.000000 Ni\n",
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{
"id": "jvasp-113234",
"created_at": "2022-09-04T14:38:44.588230Z",
"updated_at": "2022-09-04T14:38:44.588258Z",
"structure_string": "Li4 Co3 Sn1 P4 O16\n1.0\n5.899093 -0.000000 0.000000\n0.000000 4.750231 0.227287\n0.000000 0.270751 10.942796\nLi Co Sn P O\n4 3 1 4 16\ndirect\n0.250797 0.030480 0.014736 Li\n0.749203 0.030480 0.014736 Li\n0.759572 0.456582 0.480508 Li\n0.240427 0.456582 0.480508 Li\n-0.000000 0.002057 0.272807 Co\n-0.000000 0.540218 0.805797 Co\n0.500000 0.517977 0.218711 Co\n0.500000 0.024732 0.714988 Sn\n-0.000000 0.872702 0.578906 P\n-0.000000 0.593425 0.100064 P\n0.500000 0.464355 0.931849 P\n0.500000 0.051631 0.384470 P\n0.794355 0.734198 0.654595 O\n0.500000 0.729396 0.390002 O\n0.500000 0.785803 0.933706 O\n0.206668 0.718409 0.170114 O\n0.793331 0.718409 0.170114 O\n-0.000000 0.748314 0.969758 O\n0.500000 0.305846 0.061330 O\n0.290218 0.192621 0.315942 O\n0.285613 0.351525 0.865558 O\n-0.000000 0.271846 0.101083 O\n-0.000000 0.193510 0.572496 O\n0.709781 0.192621 0.315942 O\n0.205644 0.734198 0.654595 O\n0.500000 0.176887 0.511250 O\n0.714386 0.351525 0.865558 O\n-0.000000 0.753664 0.449888 O\n",
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{
"id": "jvasp-28764",
"created_at": "2022-09-04T14:37:29.504553Z",
"updated_at": "2022-09-04T14:37:29.504585Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.223413 0.000000 -0.000003\n-1.611707 2.791569 -0.000004\n-0.000031 -0.000087 34.035989\nMo W Se S\n3 1 2 6\ndirect\n0.333314 0.666639 0.096798 Mo\n0.333331 0.666664 0.468448 Mo\n0.666670 0.333340 0.279222 Mo\n0.666682 0.333357 0.658443 W\n0.666656 0.333319 0.418186 Se\n0.666674 0.333348 0.518710 Se\n0.333330 0.666659 0.324968 S\n0.333346 0.666683 0.704384 S\n0.666643 0.333299 0.051106 S\n0.666654 0.333319 0.142531 S\n0.333339 0.666680 0.233498 S\n0.333347 0.666688 0.612451 S\n",
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{
"id": "jvasp-22966",
"created_at": "2022-09-04T14:37:31.737879Z",
"updated_at": "2022-09-04T14:37:31.737901Z",
"structure_string": "Hf6 Ge6 Pd6\n1.0\n0.000000 6.712825 -0.002119\n3.949926 0.000000 0.000000\n0.000000 -0.030710 -11.549904\nHf Ge Pd\n6 6 6\ndirect\n0.336564 0.250000 0.079940 Hf\n0.663437 0.750001 0.920059 Hf\n0.464699 0.250000 0.378272 Hf\n0.535301 0.750001 0.621728 Hf\n0.967005 0.250000 0.292282 Hf\n0.032996 0.750001 0.707718 Hf\n0.254031 0.750001 0.916384 Ge\n0.745970 0.250000 0.083615 Ge\n0.259343 0.750001 0.250184 Ge\n0.740658 0.250000 0.749815 Ge\n0.746419 0.750001 0.414944 Ge\n0.253581 0.250000 0.585056 Ge\n0.001984 0.750001 0.091044 Pd\n0.998017 0.250000 0.908956 Pd\n0.142313 0.750001 0.458760 Pd\n0.857687 0.250000 0.541240 Pd\n0.625044 0.750001 0.205795 Pd\n0.374957 0.250000 0.794205 Pd\n",
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{
"id": "jvasp-59247",
"created_at": "2022-09-04T14:38:03.078272Z",
"updated_at": "2022-09-04T14:38:03.078304Z",
"structure_string": "Ta4 H4 O12\n1.0\n7.487077 -0.142865 0.202041\n3.619814 6.555430 0.202041\n3.867262 2.232765 6.315214\nTa H O\n4 4 12\ndirect\n-0.000000 0.500000 -0.000000 Ta\n0.500000 0.000000 -0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.000000 -0.000000 0.500000 Ta\n0.177276 0.177275 0.572724 H\n0.822724 0.822725 0.427275 H\n0.427275 0.427275 0.822724 H\n0.572724 0.572725 0.177275 H\n0.050527 0.699473 0.050527 O\n0.050527 0.699472 0.699472 O\n0.699473 0.050528 0.050527 O\n0.331780 0.331780 0.918219 O\n0.699473 0.050528 0.699472 O\n0.668220 0.668220 0.081780 O\n0.300527 0.949472 0.949472 O\n0.949473 0.300528 0.300527 O\n0.949473 0.300528 0.949472 O\n0.918219 0.918220 0.331780 O\n0.081780 0.081780 0.668219 O\n0.300527 0.949473 0.300527 O\n",
"nsites": 20,
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"formula_full": "Ta4 H4 O12",
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"spacegroup": 141
},
{
"id": "jvasp-13052",
"created_at": "2022-09-04T14:38:11.555374Z",
"updated_at": "2022-09-04T14:38:11.555400Z",
"structure_string": "Rb2 Mn2 Br6\n1.0\n3.715175 -6.434873 0.000000\n3.715175 6.434873 0.000000\n0.000000 0.000000 6.404964\nRb Mn Br\n2 2 6\ndirect\n0.333334 0.666668 0.750000 Rb\n0.666668 0.333334 0.250000 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.666968 0.833484 0.250000 Br\n0.833484 0.666968 0.750000 Br\n0.833484 0.166517 0.750000 Br\n0.166517 0.833484 0.250000 Br\n0.166517 0.333033 0.250000 Br\n0.333033 0.166517 0.750000 Br\n",
"nsites": 10,
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],
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"formula_full": "Rb2 Mn2 Br6",
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},
{
"id": "jvasp-112762",
"created_at": "2022-09-04T14:38:43.462168Z",
"updated_at": "2022-09-04T14:38:43.462192Z",
"structure_string": "Li4 Mn6 Sb2 O16\n1.0\n5.754155 0.000267 0.000036\n-0.000272 5.967470 0.230397\n-0.000062 0.107298 8.922018\nLi Mn Sb O\n4 6 2 16\ndirect\n0.000007 0.247669 0.136494 Li\n0.499994 0.747662 0.636491 Li\n-0.000005 0.752333 0.863507 Li\n0.500004 0.252339 0.363510 Li\n0.249964 0.750007 0.249980 Mn\n-0.000001 0.500000 0.500002 Mn\n0.750040 0.249994 0.750020 Mn\n0.749961 0.749999 0.250019 Mn\n0.500004 0.000001 0.000000 Mn\n0.250039 0.250002 0.749981 Mn\n-0.000002 -0.000000 0.500002 Sb\n0.500001 0.500001 -0.000001 Sb\n-0.000032 0.972624 0.267092 O\n0.728306 0.758599 -0.003309 O\n0.228310 0.258602 0.496690 O\n0.499968 0.527378 0.232908 O\n0.000032 0.027377 0.732907 O\n0.500033 0.472622 0.767093 O\n0.271695 0.241401 0.003310 O\n0.500026 0.033724 0.779947 O\n0.728313 0.241396 0.003311 O\n0.228305 0.741398 0.503310 O\n0.499975 0.966277 0.220055 O\n0.000025 0.466276 0.720054 O\n0.771694 0.258603 0.496691 O\n-0.000025 0.533723 0.279946 O\n0.771690 0.741399 0.503310 O\n0.271690 0.758604 0.996690 O\n",
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}
]
}