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{
"id": "jvasp-21666",
"created_at": "2022-09-04T14:38:34.303471Z",
"updated_at": "2022-09-04T14:38:34.303487Z",
"structure_string": "Pr2 B6 O12\n1.0\n5.694493 -0.017501 2.939882\n-0.164892 5.692132 2.939882\n-0.009754 -0.010009 6.409601\nPr B O\n2 6 12\ndirect\n0.697943 0.302057 0.749999 Pr\n0.302057 0.697943 0.250000 Pr\n0.157567 0.292309 0.915921 B\n0.707691 0.842433 0.584078 B\n0.279058 0.720943 0.749999 B\n0.292309 0.157567 0.415921 B\n0.842433 0.707691 0.084078 B\n0.720943 0.279057 0.250000 B\n0.712937 0.887131 0.002234 O\n0.112869 0.287063 0.497765 O\n0.718169 0.493965 0.286828 O\n0.281832 0.506035 0.713171 O\n0.493966 0.718169 0.786828 O\n0.709936 0.085594 0.491716 O\n0.914405 0.290064 0.008283 O\n0.290064 0.914406 0.508283 O\n0.085595 0.709936 0.991716 O\n0.887131 0.712937 0.502234 O\n0.287064 0.112869 0.997765 O\n0.506035 0.281831 0.213171 O\n",
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{
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"structure_string": "Li4 Sn2 P4 O14\n1.0\n-1.481617 0.000000 9.071479\n6.443886 -2.579031 4.445990\n0.000000 5.158062 0.000000\nLi Sn P O\n4 2 4 14\ndirect\n0.559696 0.104538 0.945305 Li\n0.059696 0.104538 0.659232 Li\n0.940304 0.895463 0.340768 Li\n0.440304 0.895463 0.054695 Li\n0.500000 0.500000 0.000000 Sn\n-0.000000 0.500000 0.000000 Sn\n0.818164 0.280070 0.275224 P\n0.318164 0.280070 0.504847 P\n0.681837 0.719930 0.495152 P\n0.181836 0.719930 0.724776 P\n0.056074 0.740571 0.944398 O\n0.326617 0.742760 0.852911 O\n0.556074 0.740571 0.296175 O\n0.826617 0.742760 0.389849 O\n0.250000 0.500000 0.504470 O\n0.750000 0.500000 0.495530 O\n0.383681 0.159162 0.206807 O\n0.443926 0.259429 0.703825 O\n0.673383 0.257241 0.147089 O\n0.943926 0.259429 0.055602 O\n0.616319 0.840838 0.793193 O\n0.883681 0.159162 0.452354 O\n0.173383 0.257241 0.610151 O\n0.116319 0.840839 0.547646 O\n",
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"formula_full": "Li4 Sn2 P4 O14",
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{
"id": "jvasp-34895",
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"updated_at": "2022-09-04T14:38:34.810821Z",
"structure_string": "Li2 Dy4 Cl10\n1.0\n5.816225 -0.000000 -2.480626\n-0.236888 7.276995 -0.555422\n0.033158 0.095719 8.136593\nLi Dy Cl\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.889395 0.571748 0.157519 Dy\n0.268124 0.071749 0.157519 Dy\n0.110605 0.428251 0.842481 Dy\n0.731877 0.928251 0.842481 Dy\n0.493371 0.407221 0.181852 Cl\n0.876570 0.250000 -0.000000 Cl\n0.123430 0.750000 0.000000 Cl\n0.148474 0.325561 0.416823 Cl\n0.851527 0.674438 0.583177 Cl\n0.268350 0.825561 0.416823 Cl\n0.731651 0.174439 0.583177 Cl\n0.506629 0.592779 0.818147 Cl\n0.688481 0.907220 0.181852 Cl\n0.311520 0.092779 0.818147 Cl\n",
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],
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{
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"created_at": "2022-09-04T14:38:34.810792Z",
"updated_at": "2022-09-04T14:38:34.810810Z",
"structure_string": "Pt4 I12\n1.0\n6.620346 0.000000 1.299752\n3.310173 6.060847 0.649876\n-0.056833 0.000000 13.461262\nPt I\n4 12\ndirect\n0.095058 0.809884 0.750000 Pt\n0.904942 0.190116 0.250000 Pt\n0.500000 0.500000 0.500000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.802564 0.131050 0.637773 I\n0.066387 0.131050 0.862226 I\n0.197436 0.868951 0.362226 I\n0.933613 0.868951 0.137774 I\n0.855022 0.509654 0.378892 I\n0.635325 0.509654 0.121108 I\n0.144979 0.490346 0.621108 I\n0.364676 0.490346 0.878892 I\n0.259028 0.198108 0.122752 I\n0.542865 0.198108 0.377248 I\n0.740973 0.801893 0.877248 I\n0.457135 0.801893 0.622752 I\n",
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{
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"created_at": "2022-09-04T14:38:34.897556Z",
"updated_at": "2022-09-04T14:38:34.897566Z",
"structure_string": "Nb4 W2 O16\n1.0\n5.094901 0.006746 -0.006471\n-0.010177 5.662844 -1.739365\n0.030234 0.010171 10.079430\nNb W O\n4 2 16\ndirect\n0.757893 0.324702 0.276887 Nb\n0.742966 0.048183 0.721496 Nb\n0.242906 0.676322 0.721487 Nb\n0.257835 0.952842 0.276882 Nb\n0.750401 0.670207 0.999180 W\n0.250398 0.330822 0.999196 W\n0.883237 0.590269 0.381882 O\n0.617479 0.208957 0.616418 O\n0.117563 0.410757 0.616489 O\n0.383319 0.792068 0.381960 O\n0.077632 0.923532 0.655061 O\n0.423104 0.266235 0.343189 O\n0.070301 0.665456 0.106197 O\n0.570281 0.442119 0.106191 O\n0.930498 0.335574 0.892179 O\n0.923170 0.077495 0.343317 O\n0.585224 0.916225 0.119634 O\n0.915645 0.796324 0.878758 O\n0.415576 0.084805 0.878742 O\n0.085152 0.204703 0.119616 O\n0.430516 0.558911 0.892186 O\n0.577697 0.734791 0.655188 O\n",
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"elements": [
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{
"id": "jvasp-52201",
"created_at": "2022-09-04T14:38:34.872406Z",
"updated_at": "2022-09-04T14:38:34.872438Z",
"structure_string": "Li2 Cu6 F14\n1.0\n6.889605 0.068005 0.022340\n-3.067534 6.169401 -0.022340\n-2.871411 1.759503 6.069640\nLi Cu F\n2 6 14\ndirect\n0.500001 0.500000 0.500000 Li\n0.500001 0.500000 -0.000000 Li\n0.000000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n-0.000000 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500001 0.000000 -0.000000 Cu\n0.593043 0.316890 0.408493 F\n0.307339 0.138511 0.990945 F\n0.895971 0.895969 0.750000 F\n0.683111 0.406957 0.908493 F\n0.354570 -0.005576 0.694191 F\n0.645431 0.005577 0.305809 F\n0.406958 0.683110 0.591507 F\n0.104031 0.104031 0.250000 F\n0.692662 0.861489 0.009055 F\n0.861490 0.692661 0.490945 F\n0.138512 0.307339 0.509055 F\n-0.005576 0.354569 0.805809 F\n0.316890 0.593043 0.091507 F\n0.005577 0.645430 0.194191 F\n",
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],
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{
"id": "jvasp-57277",
"created_at": "2022-09-04T14:38:34.890657Z",
"updated_at": "2022-09-04T14:38:34.890674Z",
"structure_string": "Ca2 Mg2 Si4 O12\n1.0\n5.393403 0.149751 1.235097\n1.505519 6.819314 0.405220\n0.195362 -0.278579 6.986993\nCa Mg Si O\n2 2 4 12\ndirect\n0.750000 0.893603 0.106397 Ca\n0.250000 0.106396 0.893603 Ca\n0.250000 0.761640 0.238359 Mg\n0.749999 0.238359 0.761641 Mg\n0.295504 0.615035 0.780850 Si\n0.204495 0.219150 0.384965 Si\n0.704495 0.384964 0.219151 Si\n0.795504 0.780849 0.615036 Si\n0.609099 0.611520 0.160898 O\n0.444280 0.329273 0.365310 O\n0.890900 0.839102 0.388480 O\n0.816095 0.222485 0.032548 O\n0.109099 0.160897 0.611520 O\n0.944280 0.365310 0.329274 O\n0.316096 0.032547 0.222485 O\n0.555719 0.670726 0.634690 O\n0.683904 0.967452 0.777515 O\n0.390900 0.388479 0.839102 O\n0.183904 0.777514 0.967453 O\n0.055720 0.634689 0.670727 O\n",
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"formula_full": "Ca2 Mg2 Si4 O12",
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{
"id": "jvasp-20839",
"created_at": "2022-09-04T14:38:34.920329Z",
"updated_at": "2022-09-04T14:38:34.920356Z",
"structure_string": "Li4 C2 O6\n1.0\n4.556439 0.001817 1.749069\n1.819666 4.177315 1.749069\n0.024026 0.015747 6.106865\nLi C O\n4 2 6\ndirect\n0.639862 0.751450 0.167229 Li\n0.248551 0.360139 0.332771 Li\n0.360140 0.248551 0.832771 Li\n0.751451 0.639861 0.667229 Li\n0.068757 0.931244 0.750000 C\n0.931245 0.068756 0.250000 C\n0.325753 0.674248 0.750000 O\n0.674249 0.325752 0.250000 O\n0.084553 0.209341 0.688816 O\n0.790661 0.915448 0.811184 O\n0.915449 0.790659 0.311184 O\n0.209341 0.084552 0.188816 O\n",
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"formula_full": "Li4 C2 O6",
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"spacegroup": 15
},
{
"id": "jvasp-21697",
"created_at": "2022-09-04T14:38:34.970643Z",
"updated_at": "2022-09-04T14:38:34.970652Z",
"structure_string": "Mo2 P8\n1.0\n4.849172 0.006685 2.312923\n1.878635 5.513834 0.896058\n0.002628 0.003343 6.234230\nMo P\n2 8\ndirect\n0.059380 0.249999 0.881240 Mo\n0.940621 0.750000 0.118759 Mo\n0.500332 0.310751 0.554892 P\n0.944775 0.189249 0.554892 P\n0.185686 0.316910 0.186838 P\n0.627476 0.183091 0.186838 P\n0.814315 0.683090 0.813162 P\n0.372525 0.816909 0.813162 P\n0.055226 0.810750 0.445108 P\n0.499669 0.689249 0.445108 P\n",
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{
"id": "jvasp-55810",
"created_at": "2022-09-04T14:38:35.487023Z",
"updated_at": "2022-09-04T14:38:35.487039Z",
"structure_string": "Li2 In2 Mo4 O16\n1.0\n5.028899 0.000223 -0.083305\n-0.147688 7.389044 -1.410171\n0.000635 -0.019257 7.523828\nLi In Mo O\n2 2 4 16\ndirect\n0.750000 0.584705 0.415294 Li\n0.249999 0.415293 0.584706 Li\n0.250000 0.907525 0.092474 In\n0.749999 0.092474 0.907525 In\n0.249555 0.887776 0.572731 Mo\n0.250444 0.427269 0.112223 Mo\n0.750444 0.112222 0.427268 Mo\n0.749555 0.572730 0.887777 Mo\n0.043184 0.443972 0.831109 O\n0.956815 0.556026 0.168891 O\n0.543185 0.831108 0.443973 O\n0.567417 0.348208 0.947789 O\n0.932582 0.052211 0.651791 O\n0.432582 0.651791 0.052211 O\n0.067417 0.947788 0.348209 O\n0.409384 0.435869 0.318061 O\n0.612372 0.059558 0.188697 O\n0.112372 0.188698 0.059559 O\n0.387627 0.940440 0.811302 O\n0.909384 0.318061 0.435869 O\n0.590615 0.564130 0.681939 O\n0.456814 0.168891 0.556027 O\n0.090615 0.681938 0.564131 O\n0.887627 0.811301 0.940441 O\n",
"nsites": 24,
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],
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"formula_full": "Li2 In2 Mo4 O16",
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"spacegroup": 15
},
{
"id": "jvasp-10865",
"created_at": "2022-09-04T14:38:35.096419Z",
"updated_at": "2022-09-04T14:38:35.096446Z",
"structure_string": "Ba6 Si4 As8\n1.0\n7.500567 0.010362 -2.004839\n-3.383355 7.380706 -2.626198\n0.001794 -0.001432 10.043044\nBa Si As\n6 4 8\ndirect\n0.939567 0.189566 0.379133 Ba\n0.183850 0.433851 0.867700 Ba\n0.816151 0.566150 0.132300 Ba\n0.306833 0.056833 0.113667 Ba\n0.693168 0.943168 0.886332 Ba\n0.060434 0.810434 0.620867 Ba\n0.624335 0.467498 0.638558 Si\n0.485777 0.828939 0.361441 Si\n0.375666 0.532503 0.361441 Si\n0.514224 0.171061 0.638558 Si\n0.915329 0.669075 0.858088 As\n0.244069 0.952458 0.395541 As\n0.084672 0.330925 0.141911 As\n0.755932 0.047543 0.604459 As\n0.348529 0.556917 0.604459 As\n0.651472 0.443084 0.395540 As\n0.442760 0.189013 0.858088 As\n0.557241 0.810988 0.141911 As\n",
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"volume": 556.3183607041422,
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"formula_full": "Ba6 Si4 As8",
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{
"id": "jvasp-119537",
"created_at": "2022-09-04T14:38:35.138539Z",
"updated_at": "2022-09-04T14:38:35.138565Z",
"structure_string": "Li4 Cr2 Si4 O12\n1.0\n5.769258 -0.021853 -0.042213\n2.688597 5.103124 0.036447\n-0.005238 0.010034 8.909812\nLi Cr Si O\n4 2 4 12\ndirect\n0.606528 0.690733 0.885437 Li\n0.309168 0.393113 0.385280 Li\n0.690792 0.606853 0.614709 Li\n0.393506 0.309306 0.114552 Li\n0.239022 0.239098 0.749978 Cr\n0.760974 0.760906 0.250024 Cr\n0.126880 0.793837 0.639632 Si\n0.206054 0.873168 0.139710 Si\n0.793955 0.126838 0.860295 Si\n0.873116 0.206153 0.360374 Si\n0.763585 0.507525 0.408721 O\n0.492672 0.236373 0.908602 O\n0.000002 0.000037 0.000006 O\n0.131546 0.131604 0.250109 O\n-0.000037 -0.000002 0.500006 O\n0.351075 0.847036 0.723761 O\n0.507336 0.763615 0.091394 O\n0.236427 0.492467 0.591276 O\n0.152944 0.648884 0.223696 O\n0.847051 0.351115 0.776291 O\n0.868487 0.868363 0.749925 O\n0.648927 0.152967 0.276225 O\n",
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"elements": [
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],
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"formula_full": "Li4 Cr2 Si4 O12",
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}
]
}