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{
"id": "jvasp-42802",
"created_at": "2022-09-04T14:36:01.660938Z",
"updated_at": "2022-09-04T14:36:01.660966Z",
"structure_string": "Li2 Nb2 V2 O8\n1.0\n6.078838 0.000000 0.000000\n3.039419 5.217581 0.035598\n3.039419 1.772755 4.907317\nLi Nb V O\n2 2 2 8\ndirect\n0.122806 0.127194 0.127194 Li\n0.877195 0.872804 0.872807 Li\n0.000000 0.499999 0.500001 Nb\n0.500000 0.499999 0.500001 Nb\n0.500000 -0.000001 0.500000 V\n0.500000 0.500000 0.000000 V\n0.259570 0.260501 0.260502 O\n0.260248 0.249636 0.729868 O\n0.260248 0.729867 0.249638 O\n0.719428 0.260501 0.260502 O\n0.280573 0.739497 0.739499 O\n0.739753 0.750362 0.270133 O\n0.739753 0.270131 0.750363 O\n0.740431 0.739497 0.739499 O\n",
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{
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"structure_string": "Cd1 Hg1 C4 S4 N4\n1.0\n3.920907 0.000195 1.026084\n1.960836 8.190248 0.513003\n-0.111170 -0.000038 8.437556\nCd Hg C S N\n1 1 4 4 4\ndirect\n0.750066 0.499964 0.499935 Cd\n-0.000036 0.000009 0.000015 Hg\n0.117273 0.647466 0.828952 C\n0.235501 0.171047 0.647469 C\n0.593473 0.352534 0.171054 C\n0.053757 0.828965 0.352513 C\n0.165691 0.998397 0.284635 S\n0.449291 0.001787 0.715493 S\n0.835687 0.715417 0.998323 S\n0.549127 0.284605 0.001742 S\n0.975180 0.707087 0.403012 N\n0.317878 0.596891 0.707128 N\n0.085286 0.292798 0.596872 N\n0.621836 0.403035 0.292855 N\n",
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{
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"created_at": "2022-09-04T14:36:02.972265Z",
"updated_at": "2022-09-04T14:36:02.972289Z",
"structure_string": "Pr3 Ga10 Ni1\n1.0\n4.297703 -0.000000 0.000000\n-0.000000 4.294864 0.000000\n0.000000 0.000000 15.283020\nPr Ga Ni\n3 10 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.000000 0.000000 0.248564 Pr\n0.000000 0.000000 0.751436 Pr\n0.500000 0.499999 0.183290 Ga\n0.500000 0.499999 0.816710 Ga\n0.500000 0.499999 0.342358 Ga\n0.500000 0.499999 0.657642 Ga\n0.000000 0.499999 0.419245 Ga\n0.000000 0.499999 0.580755 Ga\n0.000000 0.499999 0.084838 Ga\n0.000000 0.499999 0.915162 Ga\n0.500000 0.000000 0.084489 Ga\n0.500000 0.000000 0.915511 Ga\n0.000000 0.000000 0.000000 Ni\n",
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{
"id": "jvasp-50414",
"created_at": "2022-09-04T14:36:01.987096Z",
"updated_at": "2022-09-04T14:36:01.987128Z",
"structure_string": "Na2 Sn4 O8\n1.0\n0.000000 6.659933 -0.000000\n3.329967 -3.329967 4.709378\n6.659933 0.000000 0.000000\nNa Sn O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.500000 0.750000 Na\n0.375000 0.250000 0.375000 Sn\n0.875000 0.250000 0.375000 Sn\n0.375000 0.750000 0.375000 Sn\n0.375000 0.750000 0.875000 Sn\n0.143309 0.286617 0.143302 O\n0.606691 0.213383 0.179919 O\n0.570080 0.713383 0.143309 O\n0.143301 0.713383 0.143309 O\n0.606691 0.213383 0.606698 O\n0.143309 0.286617 0.570081 O\n0.606698 0.786618 0.606691 O\n0.179919 0.786618 0.606691 O\n",
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"formula_full": "Na2 Sn4 O8",
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{
"id": "jvasp-86090",
"created_at": "2022-09-04T14:36:07.201224Z",
"updated_at": "2022-09-04T14:36:07.201267Z",
"structure_string": "U12 Mn2\n1.0\n5.021917 0.000000 1.808300\n2.510958 7.184908 0.904150\n0.076802 0.000000 7.664163\nU Mn\n12 2\ndirect\n0.098642 0.683660 0.119058 U\n0.901358 0.316340 0.880942 U\n0.093670 0.312659 0.500000 U\n0.593671 0.500000 0.312658 U\n0.598642 0.119058 0.683659 U\n0.282301 0.316340 0.119058 U\n0.782301 0.119058 0.316340 U\n0.906330 0.687342 0.500000 U\n0.401358 0.880943 0.316340 U\n0.217699 0.880943 0.683659 U\n0.406330 0.500000 0.687341 U\n0.717700 0.683660 0.880942 U\n0.250000 0.000000 -0.000000 Mn\n0.750000 0.000000 -0.000000 Mn\n",
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"formula_full": "U12 Mn2",
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{
"id": "jvasp-48340",
"created_at": "2022-09-04T14:36:01.559226Z",
"updated_at": "2022-09-04T14:36:01.559254Z",
"structure_string": "Li6 Co1 O1 F6\n1.0\n-0.000000 -2.014613 -2.014613\n-0.000000 2.014613 -2.014613\n14.505165 -2.014613 0.000000\nLi Co O F\n6 1 1 6\ndirect\n0.004059 0.995939 0.991879 Li\n0.853082 0.146917 0.293835 Li\n0.282049 0.717949 0.435899 Li\n0.713209 0.286790 0.573579 Li\n0.143932 0.856066 0.712135 Li\n0.575092 0.424907 0.849816 Li\n0.428570 0.571428 0.142857 Co\n0.928570 0.071429 0.142857 O\n0.506174 0.493824 0.987650 F\n0.350967 0.649032 0.298064 F\n0.782442 0.217556 0.435114 F\n0.213127 0.786872 0.573745 F\n0.644014 0.355984 0.711968 F\n0.074699 0.925300 0.850600 F\n",
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"volume": 117.74322666832683,
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"formula_full": "Li6 Co1 O1 F6",
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"formula_anonymous": "ABC6D6",
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{
"id": "jvasp-85483",
"created_at": "2022-09-04T14:36:02.878546Z",
"updated_at": "2022-09-04T14:36:02.878572Z",
"structure_string": "Mn4 Ni2 O8\n1.0\n5.055496 -0.001380 2.920152\n1.684895 4.765809 2.918136\n0.000767 -0.000784 5.838432\nMn Ni O\n4 2 8\ndirect\n0.500009 0.000007 0.500001 Mn\n-0.000006 0.499992 0.500008 Mn\n0.499999 0.499997 -0.000008 Mn\n0.499995 0.500011 0.499986 Mn\n0.125015 0.124998 0.125011 Ni\n0.875006 0.874987 0.875010 Ni\n0.738986 0.739134 0.738958 O\n0.260855 0.261022 0.717074 O\n0.261041 0.717084 0.261021 O\n0.717077 0.261055 0.260835 O\n0.738941 0.282924 0.738964 O\n0.282920 0.738963 0.739152 O\n0.261022 0.260847 0.261054 O\n0.739155 0.738987 0.282921 O\n",
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{
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"created_at": "2022-09-04T14:36:02.908844Z",
"updated_at": "2022-09-04T14:36:02.908874Z",
"structure_string": "La2 H6 O6\n1.0\n6.528257 -0.000247 0.000000\n-3.264343 5.653904 0.000000\n0.000000 0.000000 3.844111\nLa H O\n2 6 6\ndirect\n0.333338 0.666669 0.316226 La\n0.666662 0.333330 0.816226 La\n0.866916 0.727208 0.348869 H\n0.860313 0.133108 0.348864 H\n0.272760 0.139694 0.348839 H\n0.133084 0.272791 0.848869 H\n0.139688 0.866890 0.848864 H\n0.727240 0.860305 0.848839 H\n0.918786 0.612475 0.306925 O\n0.693694 0.081223 0.306930 O\n0.387509 0.306303 0.306920 O\n0.081215 0.387523 0.806925 O\n0.306307 0.918775 0.806930 O\n0.612491 0.693696 0.806920 O\n",
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"volume": 141.88356942296133,
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{
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"created_at": "2022-09-04T14:35:49.433334Z",
"updated_at": "2022-09-04T14:35:49.433365Z",
"structure_string": "Li2 Co2 Sn2 O8\n1.0\n2.980259 -2.825229 4.331894\n-2.738746 3.059924 4.331894\n-2.987367 -2.903028 4.219006\nLi Co Sn O\n2 2 2 8\ndirect\n-0.000001 0.499999 0.000001 Li\n0.500000 -0.000000 0.500000 Li\n-0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n-0.000001 0.499999 0.500001 Sn\n0.500000 -0.000000 -0.000000 Sn\n0.801432 0.801290 0.948632 O\n0.235869 0.764145 0.491407 O\n0.198708 0.198566 0.551371 O\n0.764146 0.235869 0.991407 O\n0.235853 0.764129 0.008596 O\n0.801290 0.801432 0.448632 O\n0.764130 0.235853 0.508595 O\n0.198566 0.198708 0.051370 O\n",
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{
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"updated_at": "2022-09-04T14:35:49.572586Z",
"structure_string": "K3 Na1 Se2 O8\n1.0\n5.861395 0.000000 -0.000000\n-2.930697 5.076116 -0.000000\n-0.000000 -0.000000 7.509885\nK Na Se O\n3 1 2 8\ndirect\n0.000000 0.000000 0.500000 K\n0.666666 0.333333 0.159473 K\n0.333333 0.666667 0.840527 K\n0.000000 0.000000 0.000000 Na\n0.666666 0.333333 0.719469 Se\n0.333333 0.666667 0.280530 Se\n0.358760 0.179380 0.801036 O\n0.820619 0.179380 0.801036 O\n0.820619 0.641241 0.801036 O\n0.179380 0.820621 0.198963 O\n0.641240 0.820621 0.198963 O\n0.179380 0.358760 0.198963 O\n0.333333 0.666667 0.500477 O\n0.666666 0.333333 0.499522 O\n",
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{
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"updated_at": "2022-09-04T14:36:01.299547Z",
"structure_string": "Li2 V2 Cr2 O8\n1.0\n2.725725 -2.939426 4.132321\n-2.814270 2.854767 4.132321\n-3.030627 -2.897669 4.237585\nLi V Cr O\n2 2 2 8\ndirect\n-0.000000 0.500000 -0.000000 Li\n0.500000 -0.000001 0.500000 Li\n-0.000001 0.500000 0.500000 V\n0.500000 -0.000000 -0.000000 V\n-0.000001 -0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.766562 0.784341 0.974532 O\n0.244530 0.755497 0.480605 O\n0.215658 0.233437 0.525469 O\n0.755497 0.244529 0.980606 O\n0.244502 0.755469 0.019394 O\n0.784342 0.766562 0.474531 O\n0.755469 0.244501 0.519395 O\n0.233437 0.215658 0.025469 O\n",
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{
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"created_at": "2022-09-04T14:35:49.663619Z",
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"structure_string": "Li7 V1 O4 F2\n1.0\n5.367663 0.027755 -0.015241\n2.618456 4.780062 -0.014155\n2.495210 1.597403 4.933750\nLi V O F\n7 1 4 2\ndirect\n0.470376 0.894896 0.389391 Li\n0.754351 0.481567 0.662919 Li\n0.076703 0.759857 0.652792 Li\n0.374457 0.300523 0.007691 Li\n0.871741 0.222287 0.373290 Li\n0.505908 0.627303 0.102734 Li\n0.459125 0.107142 0.652168 Li\n0.972778 0.983748 0.027606 V\n0.361597 0.748314 0.791037 O\n0.201865 0.925276 0.253189 O\n0.753799 0.094296 0.765459 O\n0.602920 0.207626 0.252793 O\n0.846624 0.607906 0.274360 F\n0.074160 0.378264 0.786556 F\n",
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]
}