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{
"id": "jvasp-93169",
"created_at": "2022-09-04T14:36:03.898880Z",
"updated_at": "2022-09-04T14:36:03.898904Z",
"structure_string": "Sr1 Li1 Mg6\n1.0\n7.104236 -0.344156 0.000000\n-3.850166 5.980370 0.000000\n0.000000 0.000000 5.119346\nSr Li Mg\n1 1 6\ndirect\n0.305212 0.194788 0.750001 Sr\n0.136025 0.363974 0.250000 Li\n0.184117 0.818170 0.250000 Mg\n0.681830 0.315882 0.250000 Mg\n0.693506 0.806493 0.250000 Mg\n0.328306 0.688011 0.750001 Mg\n0.811989 0.171693 0.750001 Mg\n0.859012 0.640987 0.750001 Mg\n",
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{
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"created_at": "2022-09-04T14:36:52.633671Z",
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"structure_string": "Mg2 H12 C10 O8\n1.0\n5.223604 -0.027812 -0.473199\n-0.852255 6.163752 -0.015809\n0.142907 0.131275 8.399145\nMg H C O\n2 12 10 8\ndirect\n0.215720 0.250278 0.744693 Mg\n0.808943 0.802595 0.770821 Mg\n0.957303 0.745790 0.197960 H\n0.461739 0.239748 0.237600 H\n0.175739 -0.028560 0.272810 H\n0.685094 0.469502 0.297398 H\n0.994649 0.216011 0.413226 H\n0.447449 0.722756 0.422124 H\n0.762845 0.995112 0.362175 H\n0.317082 0.593275 0.078680 H\n0.797413 0.105909 0.077366 H\n0.541145 0.808190 0.154967 H\n0.015845 0.340039 0.129844 H\n0.246942 0.497065 0.345916 H\n0.668366 0.298313 0.261810 C\n0.338076 0.766959 0.108953 C\n0.809534 0.277952 0.110089 C\n0.159483 0.799698 0.239942 C\n0.244104 0.665716 0.383399 C\n0.103084 0.647474 0.535344 C\n0.317064 0.875332 0.947936 C\n0.695145 0.392556 0.967876 C\n0.675451 0.165923 0.557160 C\n0.784869 0.167847 0.395624 C\n0.834323 0.136635 0.678340 O\n0.438767 0.175830 0.568616 O\n0.897722 0.733442 0.547693 O\n0.844967 0.530744 0.893773 O\n0.501535 0.873568 0.861469 O\n0.454324 0.344111 0.931925 O\n0.117148 0.963852 0.897725 O\n0.204005 0.543270 0.648279 O\n",
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],
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"volume": 270.708843081758,
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"formula_full": "Mg2 H12 C10 O8",
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"formula_anonymous": "AB4C5D6",
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{
"id": "jvasp-78411",
"created_at": "2022-09-04T14:37:14.597342Z",
"updated_at": "2022-09-04T14:37:14.597375Z",
"structure_string": "K1 N1\n1.0\n-2.855310 -2.855310 0.000000\n-2.855310 0.000000 -2.855310\n-0.000000 -2.855310 -2.855310\nK N\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
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"density": 1.8940642892637236,
"density_atomic": 0.04295761891489419,
"volume": 46.55751530275258,
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"formula_full": "K1 N1",
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"spacegroup": 225
},
{
"id": "jvasp-106592",
"created_at": "2022-09-04T14:36:58.745833Z",
"updated_at": "2022-09-04T14:36:58.745849Z",
"structure_string": "Rb4 Mg2\n1.0\n7.621397 0.053860 -1.612890\n-4.998479 5.753591 -1.612890\n-0.024326 -0.053860 7.790155\nRb Mg\n4 2\ndirect\n0.664665 0.835335 0.500000 Rb\n0.335335 0.164665 0.500000 Rb\n0.164664 0.664665 0.829329 Rb\n0.835335 0.335335 0.170671 Rb\n0.750000 0.750000 0.000000 Mg\n0.250000 0.250000 0.000000 Mg\n",
"nsites": 6,
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"elements": [
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"volume": 342.37875089857744,
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"formula_full": "Rb4 Mg2",
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"spacegroup": 140
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{
"id": "jvasp-79532",
"created_at": "2022-09-04T14:36:46.451497Z",
"updated_at": "2022-09-04T14:36:46.451525Z",
"structure_string": "K2 N2\n1.0\n0.000000 -4.037046 0.000000\n-4.035148 0.000000 0.181963\n-0.258614 0.000000 -5.705304\nK N\n2 2\ndirect\n0.750001 0.751461 0.749958 K\n0.250000 0.248539 0.250042 K\n0.750001 0.748313 0.249900 N\n0.250000 0.251687 0.750100 N\n",
"nsites": 4,
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{
"id": "jvasp-78536",
"created_at": "2022-09-04T14:37:10.701493Z",
"updated_at": "2022-09-04T14:37:10.701518Z",
"structure_string": "K2 N2\n1.0\n4.038705 0.000000 0.000000\n0.000000 4.038705 -0.000000\n0.000000 -0.000000 5.710864\nK N\n2 2\ndirect\n0.000000 0.499999 0.249989 K\n0.499999 0.000000 0.750010 K\n0.000000 0.499999 0.749968 N\n0.499999 0.000000 0.250031 N\n",
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},
{
"id": "jvasp-85949",
"created_at": "2022-09-04T14:35:45.612105Z",
"updated_at": "2022-09-04T14:35:45.612123Z",
"structure_string": "Li4 Te2 O6\n1.0\n5.121525 0.000000 0.446523\n2.560762 4.771875 0.223262\n-0.093330 0.000000 13.603154\nLi Te O\n4 2 6\ndirect\n0.639294 0.314499 0.067891 Li\n0.953793 0.685500 0.067891 Li\n0.046207 0.314499 0.932109 Li\n0.360705 0.685500 0.932109 Li\n0.269415 0.000000 0.161175 Te\n0.730585 0.000000 0.838825 Te\n0.367823 0.000000 0.863877 O\n0.632176 0.000000 0.136123 O\n0.028076 0.299809 0.080522 O\n0.672114 0.299809 0.919477 O\n0.327885 0.700190 0.080522 O\n0.971923 0.700190 0.919477 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 1.891713015677741,
"density_atomic": 0.03607393931990466,
"volume": 332.6501132461215,
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"formula_full": "Li4 Te2 O6",
"formula_reduced": "Li2TeO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 12
},
{
"id": "jvasp-98010",
"created_at": "2022-09-04T14:36:10.325165Z",
"updated_at": "2022-09-04T14:36:10.325183Z",
"structure_string": "Ba6 Li24\n1.0\n10.708719 0.000000 0.000000\n-5.354360 9.274023 0.000000\n0.000000 0.000000 8.756359\nBa Li\n6 24\ndirect\n0.471431 0.942863 0.250000 Ba\n0.942863 0.471431 0.750000 Ba\n0.057137 0.528568 0.250000 Ba\n0.471431 0.528568 0.250000 Ba\n0.528568 0.057137 0.750000 Ba\n0.528568 0.471431 0.750000 Ba\n0.836226 0.672451 0.433081 Li\n0.163774 0.836226 0.566919 Li\n0.672451 0.836226 0.566919 Li\n0.327548 0.163774 0.066919 Li\n0.836226 0.163774 0.066919 Li\n0.163774 0.327548 0.566919 Li\n0.900239 0.800477 0.750000 Li\n0.099761 0.900238 0.250000 Li\n0.800477 0.900238 0.250000 Li\n0.163774 0.836226 0.933081 Li\n0.099761 0.199523 0.250000 Li\n0.333333 0.666666 0.914635 Li\n0.666667 0.333333 0.414635 Li\n0.666667 0.333333 0.085365 Li\n0.333333 0.666666 0.585365 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.836226 0.163774 0.433081 Li\n0.836226 0.672451 0.066919 Li\n0.327548 0.163774 0.433081 Li\n0.672451 0.836226 0.933081 Li\n0.163774 0.327548 0.933081 Li\n0.900239 0.099761 0.750000 Li\n0.199523 0.099761 0.750000 Li\n",
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},
{
"id": "jvasp-117617",
"created_at": "2022-09-04T14:38:46.536793Z",
"updated_at": "2022-09-04T14:38:46.536819Z",
"structure_string": "Ba1 Zn1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nBa Zn O\n1 1 1\ndirect\n0.387384 0.002350 0.000000 Ba\n-0.016919 -0.063009 0.000000 Zn\n0.049831 0.273038 0.000000 O\n",
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},
{
"id": "jvasp-121102",
"created_at": "2022-09-04T14:38:53.813697Z",
"updated_at": "2022-09-04T14:38:53.813734Z",
"structure_string": "Rb1 Zn1 H1\n1.0\n4.160893 0.000000 0.000000\n0.000000 4.160893 -0.000000\n0.000000 -0.000000 7.704624\nRb Zn H\n1 1 1\ndirect\n0.000000 0.000000 -0.079639 Rb\n0.000000 0.000000 0.480304 Zn\n0.000000 0.000000 0.257578 H\n",
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},
{
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"created_at": "2022-09-04T14:37:20.149790Z",
"updated_at": "2022-09-04T14:37:20.149810Z",
"structure_string": "Ca3 P1 N1\n1.0\n5.254773 -0.000000 -0.000000\n-0.000000 5.254773 0.000000\n-0.000000 0.000000 5.254773\nCa P N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 N\n",
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},
{
"id": "jvasp-71708",
"created_at": "2022-09-04T14:35:47.223250Z",
"updated_at": "2022-09-04T14:35:47.223280Z",
"structure_string": "Li1 Be2 Si1\n1.0\n2.513320 0.000000 0.000000\n0.000000 2.513320 0.000000\n0.000000 0.000000 7.379690\nLi Be Si\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.732296 Be\n0.000000 0.000000 0.267704 Be\n0.500000 0.500000 0.500000 Si\n",
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}
]
}