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{
"id": "jvasp-116056",
"created_at": "2022-09-04T14:38:48.940972Z",
"updated_at": "2022-09-04T14:38:48.940993Z",
"structure_string": "Ti1 N1 F1\n1.0\n3.695975 0.000000 -0.000000\n-1.847987 3.200808 0.000000\n-0.000000 -0.000000 3.023209\nTi N F\n1 1 1\ndirect\n0.666665 0.333334 0.000000 Ti\n0.333332 0.666668 0.000000 N\n0.000000 0.000000 0.000000 F\n",
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{
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"structure_string": "Li1 Be1 Sb1\n1.0\n4.709332 -1.217940 0.000000\n-0.815231 4.133245 0.000000\n0.000000 0.000000 3.296969\nLi Be Sb\n1 1 1\ndirect\n0.434498 0.099010 0.000000 Li\n-0.219486 -0.227969 0.000000 Be\n0.056425 0.409980 0.000000 Sb\n",
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{
"id": "jvasp-60022",
"created_at": "2022-09-04T14:37:30.496016Z",
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"structure_string": "Mg2 Fe6 P8 O28\n1.0\n0.000000 7.233300 -0.000790\n7.264373 0.000000 0.000000\n0.000000 -3.522980 -9.084469\nMg Fe P O\n2 6 8 28\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.827505 0.148687 0.483545 Fe\n0.172495 0.648687 0.016455 Fe\n0.172495 0.851312 0.516455 Fe\n0.827505 0.351312 0.983545 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.142280 0.295850 0.814792 P\n0.857720 0.704149 0.185208 P\n0.142280 0.204150 0.314792 P\n0.857720 0.795850 0.685208 P\n0.567102 0.088515 0.695398 P\n0.567102 0.411485 0.195398 P\n0.432898 0.911485 0.304602 P\n0.432898 0.588514 0.804602 P\n0.346956 0.397223 0.841130 O\n0.650404 0.545631 0.849560 O\n0.349597 0.045631 0.650440 O\n0.349597 0.454369 0.150440 O\n0.650404 0.954369 0.349560 O\n0.038401 0.289925 0.646098 O\n0.038401 0.210075 0.146098 O\n0.961599 0.710074 0.353902 O\n0.025831 0.417019 0.883207 O\n0.974169 0.917018 0.616793 O\n0.653045 0.897223 0.658870 O\n0.961599 0.789925 0.853902 O\n0.653044 0.602776 0.158870 O\n0.334144 0.888648 0.134260 O\n0.375823 0.740790 0.890005 O\n0.624177 0.240791 0.609995 O\n0.624177 0.259209 0.109995 O\n0.375823 0.759209 0.390005 O\n0.665856 0.111352 0.865740 O\n0.334144 0.611351 0.634260 O\n0.974169 0.582981 0.116793 O\n0.665856 0.388648 0.365740 O\n0.201488 0.113245 0.896541 O\n0.798512 0.613245 0.603459 O\n0.798512 0.886754 0.103459 O\n0.201488 0.386754 0.396541 O\n0.346956 0.102777 0.341130 O\n0.025831 0.082981 0.383207 O\n",
"nsites": 44,
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"volume": 477.36717734042554,
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"formula_full": "Mg2 Fe6 P8 O28",
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{
"id": "jvasp-11788",
"created_at": "2022-09-04T14:37:15.710020Z",
"updated_at": "2022-09-04T14:37:15.710055Z",
"structure_string": "K2 Mn1 Se2 O6\n1.0\n5.150449 -0.018690 4.734460\n2.067188 4.717437 4.734460\n-0.028709 -0.018690 6.995813\nK Mn Se O\n2 1 2 6\ndirect\n0.195072 0.195072 0.195071 K\n0.804929 0.804929 0.804928 K\n0.000000 0.000000 0.000000 Mn\n0.628456 0.628456 0.628455 Se\n0.371544 0.371544 0.371544 Se\n0.249660 0.249660 0.731301 O\n0.249660 0.731302 0.249659 O\n0.731302 0.249660 0.249660 O\n0.268699 0.750340 0.750339 O\n0.750340 0.750340 0.268698 O\n0.750340 0.268699 0.750340 O\n",
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"formula_full": "K2 Mn1 Se2 O6",
"formula_reduced": "K2Mn(SeO3)2",
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{
"id": "jvasp-99143",
"created_at": "2022-09-04T14:36:18.837899Z",
"updated_at": "2022-09-04T14:36:18.837919Z",
"structure_string": "K12 Sb4 Te12\n1.0\n10.322702 -0.000000 0.000000\n0.000000 10.322702 -0.000000\n-0.000000 0.000000 10.322702\nK Sb Te\n12 4 12\ndirect\n0.576367 0.576367 0.576367 K\n0.923632 0.423632 0.076367 K\n0.076367 0.923632 0.423632 K\n0.423632 0.076367 0.923632 K\n0.327109 0.327109 0.327109 K\n0.172891 0.672891 0.827109 K\n0.827109 0.172891 0.672891 K\n0.672891 0.827109 0.172891 K\n0.817538 0.817538 0.817538 K\n0.682462 0.182462 0.317538 K\n0.317538 0.682462 0.182462 K\n0.182462 0.317538 0.682462 K\n0.966681 0.533319 0.466681 Sb\n0.533319 0.466681 0.966681 Sb\n0.466681 0.966681 0.533319 Sb\n0.033319 0.033319 0.033319 Sb\n0.227401 0.615540 0.501102 Te\n0.501102 0.227401 0.615540 Te\n0.615540 0.501102 0.227401 Te\n0.884459 0.498897 0.727401 Te\n0.001103 0.272599 0.384459 Te\n0.384459 0.001103 0.272599 Te\n-0.001103 0.772599 0.115540 Te\n0.498897 0.727401 0.884459 Te\n0.115540 -0.001103 0.772599 Te\n0.727401 0.884459 0.498897 Te\n0.772599 0.115540 -0.001103 Te\n0.272599 0.384459 0.001103 Te\n",
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"volume": 1099.9683025070185,
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"created_at": "2022-09-04T14:35:42.604627Z",
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"structure_string": "Sr1 Mg6 W1\n1.0\n6.303723 -1.689685 0.000000\n-4.615171 7.993711 0.000000\n0.000000 0.000000 4.332377\nSr Mg W\n1 6 1\ndirect\n0.249944 0.374972 0.250000 Sr\n0.750032 0.375039 0.250000 Mg\n0.750032 0.874992 0.250000 Mg\n0.250038 0.092728 0.750001 Mg\n0.250038 0.657311 0.750001 Mg\n0.685357 0.092680 0.750001 Mg\n0.814578 0.657290 0.750001 Mg\n0.249982 0.874990 0.250000 W\n",
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},
{
"id": "jvasp-108856",
"created_at": "2022-09-04T14:38:20.058512Z",
"updated_at": "2022-09-04T14:38:20.058532Z",
"structure_string": "Rb2 Ce1 Au1 Cl6\n1.0\n6.639957 -0.000000 3.833581\n2.213319 6.260212 3.833581\n-0.000000 -0.000000 7.667162\nRb Ce Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Au\n0.749338 0.250663 0.250662 Cl\n0.250663 0.250663 0.749337 Cl\n0.250663 0.749337 0.749337 Cl\n0.250663 0.749337 0.250663 Cl\n0.749338 0.250663 0.749337 Cl\n0.749338 0.749337 0.250662 Cl\n",
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{
"id": "jvasp-102580",
"created_at": "2022-09-04T14:36:54.807047Z",
"updated_at": "2022-09-04T14:36:54.807074Z",
"structure_string": "Xe3\n1.0\n4.285788 0.016791 10.062584\n2.067197 3.754325 10.062584\n0.028287 0.016791 10.937219\nXe\n3\ndirect\n0.000000 0.000000 0.000000 Xe\n0.222244 0.222243 0.222243 Xe\n0.777758 0.777755 0.777755 Xe\n",
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{
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"updated_at": "2022-09-04T14:38:50.170940Z",
"structure_string": "V2 Ni2 P4 O16\n1.0\n4.760178 0.069205 0.000180\n0.014430 9.725201 -0.003740\n-0.000297 0.002207 5.722897\nV Ni P O\n2 2 4 16\ndirect\n0.545807 0.770411 0.250002 V\n0.454191 0.229589 0.749997 V\n0.940447 0.269632 0.250003 Ni\n0.059553 0.730367 0.750000 Ni\n0.410293 0.090255 0.249997 P\n0.589707 0.909745 0.750002 P\n0.871956 0.410405 0.750001 P\n0.128043 0.589594 0.250001 P\n0.717728 0.332635 0.543619 O\n0.717736 0.332628 0.956376 O\n0.736917 0.835784 0.963750 O\n0.736916 0.835781 0.536258 O\n0.263081 0.164219 0.463740 O\n0.263085 0.164216 0.036249 O\n0.826041 0.562816 0.750013 O\n0.274500 0.898881 0.749998 O\n0.813371 0.628538 0.250004 O\n0.186630 0.371463 0.749996 O\n0.282267 0.667368 0.043624 O\n0.725500 0.101118 0.250002 O\n0.331820 0.935262 0.249996 O\n0.668180 0.064738 0.749998 O\n0.173961 0.437184 0.250000 O\n0.282269 0.667367 0.456381 O\n",
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{
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"created_at": "2022-09-04T14:38:54.459007Z",
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"structure_string": "Rb1 In1 S2\n1.0\n3.789312 -0.000000 -0.000000\n-0.000000 3.789312 0.000000\n-0.000000 0.000000 8.142255\nRb In S\n1 1 2\ndirect\n0.500000 0.500000 0.574689 Rb\n0.000000 0.000000 0.079829 In\n0.000000 0.000000 0.374409 S\n0.500000 0.500000 0.981075 S\n",
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{
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"updated_at": "2022-09-04T14:38:16.254843Z",
"structure_string": "K3 Sn1 Sb3\n1.0\n9.069327 0.011372 0.850196\n8.020735 4.233277 0.850196\n-0.024106 -0.005987 6.938617\nK Sn Sb\n3 1 3\ndirect\n0.001933 0.001933 0.996334 K\n0.706057 0.706057 0.751704 K\n0.288979 0.288979 0.255730 K\n0.086964 0.086964 0.511227 Sn\n0.369760 0.369759 0.752542 Sb\n0.625670 0.625670 0.240699 Sb\n0.920634 0.920635 0.491769 Sb\n",
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{
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"created_at": "2022-09-04T14:38:50.948073Z",
"updated_at": "2022-09-04T14:38:50.948103Z",
"structure_string": "Ga1 P2\n1.0\n5.478487 0.000000 0.000000\n0.000000 4.151641 0.000000\n0.000000 0.000000 2.559253\nGa P\n1 2\ndirect\n0.000000 0.424012 0.000000 Ga\n0.303190 0.923993 0.000000 P\n0.696811 0.923993 0.000000 P\n",
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"volume": 58.209470493445885,
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]
}