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{
"id": "oqmd-1201728",
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"updated_at": "2022-09-04T15:36:55.829859Z",
"structure_string": "K4 N4 O4\n1.0\n4.411207 0.000000 0.000000\n-1.346618 6.591634 0.000000\n-0.055813 -2.187191 6.789856\nK N O\n4 4 4\ndirect\n0.935207 0.461846 0.244549 K\n0.303560 0.936339 0.248141 K\n0.061689 0.535698 0.750310 K\n0.699231 0.053620 0.776032 K\n0.485446 0.597252 0.038845 N\n0.446211 0.680363 0.478799 N\n0.552117 0.328580 0.519376 N\n0.518574 0.406298 0.954697 N\n0.755401 0.745859 0.066609 O\n0.321244 0.333951 0.419465 O\n0.672423 0.662002 0.575396 O\n0.248900 0.258191 0.927779 O\n",
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{
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{
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"created_at": "2022-09-04T15:38:37.232484Z",
"updated_at": "2022-09-04T15:38:37.232512Z",
"structure_string": "Mn4 N4 O4\n1.0\n4.778675 0.000000 0.000000\n1.721510 5.492545 0.000000\n0.610987 2.245108 5.749882\nMn N O\n4 4 4\ndirect\n0.771653 0.447842 0.160836 Mn\n0.656217 0.997080 0.450987 Mn\n0.970561 0.279825 0.600762 Mn\n0.360699 0.505597 0.823414 Mn\n0.566089 0.949287 0.063842 N\n0.397360 0.333228 0.191469 N\n0.803484 0.490219 0.810681 N\n0.401887 0.927608 0.928964 N\n0.148376 0.471421 0.276792 O\n0.573278 0.764373 0.284132 O\n0.946501 0.705898 0.694880 O\n0.403907 0.127622 0.713233 O\n",
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"formula_full": "Mn4 N4 O4",
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"spacegroup": 1
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{
"id": "oqmd-1201765",
"created_at": "2022-09-04T15:38:43.226403Z",
"updated_at": "2022-09-04T15:38:43.226429Z",
"structure_string": "Tm4 N4 O4\n1.0\n3.385584 0.000000 0.000000\n0.607698 6.855190 0.000000\n0.933026 2.586167 6.689614\nN O Tm\n4 4 4\ndirect\n0.609270 0.439888 0.059924 N\n0.859376 0.563204 0.487305 N\n0.162329 0.441801 0.517028 N\n0.349420 0.550188 0.955059 N\n0.270561 0.850558 0.127484 O\n0.815341 0.048580 0.335874 O\n0.228561 0.949262 0.668852 O\n0.710193 0.149705 0.866438 O\n0.136997 0.197867 0.037037 Tm\n0.351079 0.803052 0.439544 Tm\n0.672795 0.205482 0.552814 Tm\n0.834079 0.800416 0.952636 Tm\n",
"nsites": 12,
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"density": 8.510943945021365,
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"volume": 155.25805777149216,
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"formula_full": "Tm4 N4 O4",
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{
"id": "oqmd-1201701",
"created_at": "2022-09-04T15:38:43.259927Z",
"updated_at": "2022-09-04T15:38:43.259937Z",
"structure_string": "Ag4 N4 O4\n1.0\n4.316603 0.000000 0.000000\n0.547695 5.834116 0.000000\n0.830151 1.075771 6.086379\nAg N O\n4 4 4\ndirect\n0.235150 0.863177 0.122770 Ag\n0.683549 0.191643 0.409646 Ag\n0.299572 0.821369 0.588343 Ag\n0.787426 0.120951 0.874581 Ag\n0.121631 0.503608 0.046139 N\n0.871429 0.487615 0.493053 N\n0.122269 0.521730 0.505839 N\n0.873036 0.489520 0.954050 N\n0.269236 0.319195 0.134855 O\n0.698147 0.899226 0.254057 O\n0.313542 0.106984 0.750424 O\n0.725016 0.674976 0.866248 O\n",
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"density": 5.974701996761741,
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"volume": 153.2767067239275,
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{
"id": "oqmd-1201703",
"created_at": "2022-09-04T15:38:44.225496Z",
"updated_at": "2022-09-04T15:38:44.225522Z",
"structure_string": "As4 N4 O4\n1.0\n5.531894 0.000000 0.000000\n-0.445759 5.977916 0.000000\n-0.126129 -0.477559 6.195204\nAs N O\n4 4 4\ndirect\n0.499988 0.457079 0.271750 As\n0.764520 0.045738 0.344666 As\n0.186776 0.545892 0.535490 As\n0.431092 0.829453 0.706970 As\n0.937105 0.743325 0.004529 N\n0.092960 0.647360 0.053024 N\n0.014655 0.186003 0.803174 N\n0.868908 0.220348 0.920840 N\n0.375830 0.179533 0.122802 O\n0.448157 0.986002 0.227042 O\n0.668953 0.311431 0.466199 O\n0.711058 0.847837 0.543515 O\n",
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"formula_full": "As4 N4 O4",
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{
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"created_at": "2022-09-04T15:38:44.271857Z",
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"structure_string": "Li6 Bi3\n1.0\n3.336466 0.000000 0.000000\n0.000000 6.950410 4.012821\n0.000000 -6.950410 4.012821\nBi Li\n3 6\ndirect\n0.666667 0.333333 0.000000 Bi\n0.333333 0.666667 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.291949 0.000000 0.000000 Li\n0.000000 0.291949 0.000000 Li\n0.708051 0.708051 0.000000 Li\n0.632325 0.000000 0.500000 Li\n0.367675 0.367675 0.500000 Li\n0.000000 0.632325 0.500000 Li\n",
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"volume": 186.1130862306265,
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{
"id": "oqmd-1201712",
"created_at": "2022-09-04T15:38:45.711063Z",
"updated_at": "2022-09-04T15:38:45.711087Z",
"structure_string": "Co4 N4 O4\n1.0\n4.096169 0.000000 0.000000\n0.313705 5.419692 0.000000\n0.004943 0.078245 5.647552\nCo N O\n4 4 4\ndirect\n0.544320 0.698792 0.143361 Co\n0.074658 0.289270 0.348093 Co\n0.997227 0.712326 0.705764 Co\n0.442014 0.195671 0.897714 Co\n0.897181 0.620445 0.377133 N\n0.207719 0.624120 0.389007 N\n0.728969 0.112326 0.421483 N\n0.736878 0.479385 0.901370 N\n0.468768 0.090507 0.274274 O\n0.677308 0.017409 0.630053 O\n0.251968 0.854457 0.927166 O\n0.972994 0.305305 0.984581 O\n",
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{
"id": "oqmd-827570",
"created_at": "2022-09-04T15:40:24.487108Z",
"updated_at": "2022-09-04T15:40:24.487118Z",
"structure_string": "Cd4 N3 O1\n1.0\n3.109462 0.000000 0.000000\n1.489204 6.886833 0.000000\n0.085038 2.612799 6.621254\nCd N O\n4 3 1\ndirect\n0.381617 0.984504 0.118679 Cd\n0.755240 0.254978 0.271034 Cd\n0.041608 0.651258 0.403824 Cd\n0.804494 0.128173 0.744050 Cd\n0.145003 0.531035 0.040553 N\n0.961384 0.757723 0.698697 N\n0.058239 0.638707 0.867941 N\n0.224908 0.298513 0.500047 O\n",
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{
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"created_at": "2022-09-04T15:40:24.442528Z",
"updated_at": "2022-09-04T15:40:24.442547Z",
"structure_string": "Rb4 Be4 F12\n1.0\n4.583299 0.000000 0.000000\n0.750856 6.189136 0.000000\n0.230896 0.953178 9.882663\nBe F Rb\n4 12 4\ndirect\n0.331945 0.648643 0.394730 Be\n0.466596 0.967638 0.544658 Be\n0.646989 0.458004 0.975483 Be\n0.274010 0.246838 0.986630 Be\n0.193898 0.027555 0.016205 F\n0.492748 0.326433 0.098061 F\n0.212191 0.672265 0.248019 F\n0.666646 0.593057 0.378532 F\n0.637797 0.093630 0.434110 F\n0.234979 0.874247 0.455490 F\n0.219195 0.483748 0.498480 F\n0.639800 0.785050 0.635826 F\n0.290818 0.110625 0.645728 F\n0.489222 0.325969 0.869995 F\n0.581845 0.693889 0.950149 F\n0.987239 0.408919 0.978032 F\n0.707334 0.879407 0.173473 Rb\n0.068616 0.262189 0.303553 Rb\n0.756904 0.358621 0.624035 Rb\n0.101227 0.783276 0.788809 Rb\n",
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{
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"created_at": "2022-09-04T15:40:24.348808Z",
"updated_at": "2022-09-04T15:40:24.348830Z",
"structure_string": "Ca4 N4 O2\n1.0\n3.121771 0.000000 0.000000\n0.000000 6.209688 0.000000\n-1.560885 0.000000 6.423788\nCa N O\n4 4 2\ndirect\n0.362711 0.138701 0.362678 Ca\n0.138701 0.362711 0.362678 Ca\n0.861299 0.637289 0.862679 Ca\n0.637289 0.861299 0.862679 Ca\n0.976642 0.525977 0.170152 N\n0.525977 0.976642 0.170152 N\n0.474023 0.023358 0.670151 N\n0.023358 0.474023 0.670151 N\n0.249800 0.249800 0.027937 O\n0.750202 0.750202 0.527936 O\n",
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{
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"created_at": "2022-09-04T15:40:24.883454Z",
"updated_at": "2022-09-04T15:40:24.883481Z",
"structure_string": "Cu4 P4 O4\n1.0\n3.988968 0.000000 0.000000\n0.460528 5.485030 0.000000\n1.396775 0.233546 7.260467\nCu O P\n4 4 4\ndirect\n0.376443 0.057304 0.045153 Cu\n0.634749 0.661775 0.281927 Cu\n0.255940 0.064406 0.404239 Cu\n0.667233 0.247570 0.539026 Cu\n0.390390 0.690314 0.006986 O\n0.835621 0.226966 0.086401 O\n0.985922 0.955048 0.656987 O\n0.469507 0.295255 0.809102 O\n0.804418 0.051640 0.261106 P\n0.118221 0.501411 0.412517 P\n0.001417 0.673145 0.678567 P\n0.460141 0.575163 0.817982 P\n",
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}
]
}