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{
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{
"id": "jvasp-96876",
"created_at": "2022-09-04T14:36:01.989933Z",
"updated_at": "2022-09-04T14:36:01.989957Z",
"structure_string": "Li4 H8 N4 O12\n1.0\n3.087080 0.000000 -1.016759\n0.000000 14.088070 0.000000\n-0.247602 0.000000 6.449941\nLi H N O\n4 8 4 12\ndirect\n0.392692 0.663419 0.145581 Li\n0.607308 0.163419 0.354419 Li\n0.607308 0.336581 0.854419 Li\n0.392693 0.836581 0.645581 Li\n0.061320 0.034556 0.258082 H\n0.938680 0.534556 0.241918 H\n0.938681 0.965444 0.741918 H\n0.061320 0.465444 0.758082 H\n0.906171 0.113679 0.062098 H\n0.093829 0.613679 0.437902 H\n0.093829 0.886321 0.937902 H\n0.906171 0.386321 0.562098 H\n0.744818 0.360142 0.271823 N\n0.255182 0.860142 0.228177 N\n0.255183 0.639858 0.728177 N\n0.744818 0.139858 0.771823 N\n0.596072 0.218157 0.679069 O\n0.403929 0.718157 0.820931 O\n0.403929 0.781843 0.320931 O\n0.596071 0.281843 0.179069 O\n0.815387 0.078716 0.644384 O\n0.184614 0.578716 0.855615 O\n0.184614 0.921284 0.355615 O\n0.815386 0.421284 0.144384 O\n0.020441 0.104093 0.226038 O\n0.979559 0.604093 0.273962 O\n0.979559 0.895907 0.773962 O\n0.020442 0.395907 0.726038 O\n",
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{
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"structure_string": "Na1 Li3 H8 N4\n1.0\n4.625051 -0.000000 -1.871027\n-0.756908 4.562696 -1.871028\n0.035699 0.042110 6.740164\nNa Li H N\n1 3 8 4\ndirect\n0.250000 0.750001 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.012104 0.512104 0.024209 Li\n0.487896 0.987897 0.975790 Li\n0.538919 0.435969 0.224306 H\n0.211662 0.461081 0.775693 H\n0.564032 0.314614 0.775693 H\n0.685387 0.788339 0.224306 H\n0.413262 0.263205 0.339260 H\n0.923944 0.586738 0.660739 H\n0.736795 0.074002 0.660739 H\n0.925998 0.076056 0.339259 H\n0.346024 0.333842 0.204963 N\n0.128878 0.653976 0.795036 N\n0.666158 0.141061 0.795036 N\n0.858939 0.871123 0.204963 N\n",
"nsites": 16,
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"elements": [
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"density_atomic": 0.11191591936833215,
"volume": 142.9644691327745,
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"formula_full": "Na1 Li3 H8 N4",
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"formula_anonymous": "AB3C4D8",
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},
{
"id": "jvasp-8605",
"created_at": "2022-09-04T14:37:05.475819Z",
"updated_at": "2022-09-04T14:37:05.475846Z",
"structure_string": "Li1 Nd2 H1 O3\n1.0\n3.379156 0.000000 -0.894376\n-0.264655 3.543249 -0.999927\n0.005319 0.010992 6.850897\nLi Nd H O\n1 2 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.364110 0.364104 0.728218 Nd\n0.635892 0.635896 0.271782 Nd\n0.500001 0.000000 -0.000000 H\n0.000001 0.500000 -0.000000 O\n0.823971 0.823967 0.647935 O\n0.176032 0.176032 0.352064 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 6.967782630384638,
"density_atomic": 0.08527880916874156,
"volume": 82.08369779354058,
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"formula_full": "Li1 Nd2 H1 O3",
"formula_reduced": "LiNd2HO3",
"formula_anonymous": "ABC2D3",
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"spacegroup": 71
},
{
"id": "jvasp-118462",
"created_at": "2022-09-04T14:38:52.994062Z",
"updated_at": "2022-09-04T14:38:52.994098Z",
"structure_string": "Na1 Li1 H1\n1.0\n4.419405 -0.000000 -0.000000\n-2.209702 3.827317 0.000000\n0.000000 -0.000000 3.398882\nNa Li H\n1 1 1\ndirect\n0.666666 0.333334 0.000000 Na\n0.333334 0.666668 0.000000 Li\n0.000000 0.000000 0.000000 H\n",
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"elements": [
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"volume": 57.49026684308402,
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"formula_full": "Na1 Li1 H1",
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"spacegroup": 187
},
{
"id": "jvasp-118463",
"created_at": "2022-09-04T14:38:51.096269Z",
"updated_at": "2022-09-04T14:38:51.096296Z",
"structure_string": "Na1 Li1 H1\n1.0\n3.468135 -0.000000 0.000000\n-0.000000 3.468135 -0.000000\n0.000000 -0.000000 6.791622\nNa Li H\n1 1 1\ndirect\n0.000000 0.000000 -0.092003 Na\n0.000000 0.000000 0.439082 Li\n0.000000 0.000000 0.197550 H\n",
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"elements": [
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"density": 0.6289060806504628,
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"volume": 81.68936031988125,
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"formula_full": "Na1 Li1 H1",
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"spacegroup": 99
},
{
"id": "jvasp-118461",
"created_at": "2022-09-04T14:38:51.083058Z",
"updated_at": "2022-09-04T14:38:51.083081Z",
"structure_string": "Li1 H2 N1\n1.0\n-0.000000 2.128322 2.128322\n2.128322 -0.000000 2.128322\n2.128322 2.128322 -0.000000\nLi H N\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.749999 0.749999 0.749999 H\n0.250000 0.250000 0.250000 H\n0.499999 0.499999 0.499999 N\n",
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"formula_full": "Li1 H2 N1",
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"spacegroup": 225
},
{
"id": "jvasp-12554",
"created_at": "2022-09-04T14:38:12.381258Z",
"updated_at": "2022-09-04T14:38:12.381281Z",
"structure_string": "Li4 H8 N4\n1.0\n4.519140 0.000000 -1.991410\n-0.877537 4.433120 -1.991410\n0.038559 0.046940 6.210887\nLi H N\n4 8 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.007721 0.507722 0.015443 Li\n0.492278 0.992278 0.984557 Li\n0.000000 0.000000 0.000000 Li\n0.704331 0.792634 0.249859 H\n0.542774 0.295668 0.750142 H\n0.207366 0.454473 0.750142 H\n0.545527 0.457226 0.249859 H\n0.963166 0.084099 0.384169 H\n0.421004 0.300070 0.384169 H\n0.915901 0.578996 0.615831 H\n0.699930 0.036834 0.615832 H\n0.348698 0.361342 0.232782 N\n0.128559 0.651302 0.767219 N\n0.638658 0.115915 0.767219 N\n0.884084 0.871441 0.232782 N\n",
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"elements": [
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"formula_full": "Li4 H8 N4",
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{
"id": "jvasp-90731",
"created_at": "2022-09-04T14:36:21.754804Z",
"updated_at": "2022-09-04T14:36:21.754828Z",
"structure_string": "Li2 H4 N2\n1.0\n-1.639412 -5.201203 -0.465815\n-1.639412 5.201203 -0.465815\n-1.794911 0.000000 -4.396247\nLi H N\n2 4 2\ndirect\n0.153277 0.186375 0.323603 Li\n0.186375 0.153276 0.823604 Li\n0.756879 0.429380 0.196678 H\n0.429380 0.756879 0.696678 H\n0.582245 0.910098 0.950399 H\n0.910099 0.582245 0.450399 H\n0.569777 0.769906 0.823596 N\n0.769906 0.569777 0.323595 N\n",
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"formula_full": "Li2 H4 N2",
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},
{
"id": "jvasp-8805",
"created_at": "2022-09-04T14:37:04.548514Z",
"updated_at": "2022-09-04T14:37:04.548546Z",
"structure_string": "Li2 H1 N1\n1.0\n3.626715 0.189906 -0.132215\n1.977820 3.045875 -0.132215\n1.760224 1.016266 2.874436\nLi H N\n2 1 1\ndirect\n0.202142 0.219453 0.289202 Li\n0.780545 0.797861 0.710796 Li\n0.741823 0.258178 -0.000002 H\n0.055484 0.944518 -0.000001 N\n",
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},
{
"id": "jvasp-118459",
"created_at": "2022-09-04T14:38:44.863365Z",
"updated_at": "2022-09-04T14:38:44.863391Z",
"structure_string": "Li2 H1 N1\n1.0\n1.785077 1.030615 2.998664\n-1.785077 1.030615 2.998664\n0.000000 -2.061229 2.998664\nLi H N\n2 1 1\ndirect\n0.282565 0.282565 0.282566 Li\n0.747129 0.747129 0.747133 Li\n0.088827 0.088827 0.088827 H\n0.974472 0.974472 0.974477 N\n",
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},
{
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"created_at": "2022-09-04T14:38:44.815451Z",
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"structure_string": "Li2 H1 N1\n1.0\n-1.765201 2.719085 1.653586\n1.765201 -2.719085 1.653586\n1.765201 2.719085 -1.653586\nLi H N\n2 1 1\ndirect\n0.201963 0.490371 0.711590 Li\n0.778783 0.490373 0.288409 Li\n0.743489 0.743489 0.000000 H\n0.055769 0.055769 -0.000000 N\n",
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"formula_full": "Li2 H1 N1",
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},
{
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"created_at": "2022-09-04T14:38:45.535462Z",
"updated_at": "2022-09-04T14:38:45.535485Z",
"structure_string": "Li4 H8 N4\n1.0\n3.840214 -0.000000 0.000000\n0.000000 5.243264 0.000000\n-0.000000 -0.000000 6.760284\nLi H N\n4 8 4\ndirect\n0.179968 0.665337 0.584847 Li\n0.679968 0.834662 0.415153 Li\n0.320031 0.334663 0.084847 Li\n0.820031 0.165337 0.915153 Li\n0.674090 0.542754 0.761862 H\n0.174090 -0.042754 0.238137 H\n-0.174090 0.457245 0.261863 H\n0.325909 0.042754 0.738137 H\n0.656585 0.348371 0.574684 H\n0.156586 0.151629 0.425315 H\n0.843413 0.651629 0.074685 H\n0.343414 0.848370 0.925315 H\n0.183671 0.962036 0.390219 N\n0.683670 0.537963 0.609781 N\n0.316329 0.037963 0.890218 N\n0.816328 0.462036 0.109781 N\n",
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}