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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4198",
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{
"id": "jvasp-34584",
"created_at": "2022-09-04T14:37:17.061284Z",
"updated_at": "2022-09-04T14:37:17.061305Z",
"structure_string": "Si4 O8\n1.0\n0.000000 4.330307 -0.002258\n4.254087 0.000000 0.000000\n0.000000 -0.518344 -7.930356\nSi O\n4 8\ndirect\n0.554106 0.417150 0.805349 Si\n0.862326 0.010323 0.321456 Si\n0.137675 0.010323 0.678544 Si\n0.445896 0.417150 0.194652 Si\n0.500000 0.329569 0.000000 O\n0.372380 0.771070 0.793909 O\n0.000000 0.850586 0.500000 O\n0.891372 0.225266 0.785461 O\n0.375088 0.282955 0.633676 O\n0.624914 0.282955 0.366325 O\n0.627622 0.771070 0.206092 O\n0.108629 0.225266 0.214540 O\n",
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{
"id": "jvasp-113161",
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"structure_string": "Li2 Fe2 P2 H4 O10\n1.0\n4.793963 -0.168261 0.006898\n-0.186947 5.247021 -1.983614\n0.040376 -0.914026 8.851985\nLi Fe P H O\n2 2 2 4 10\ndirect\n0.062821 0.078700 0.370604 Li\n0.581344 0.399713 0.604591 Li\n0.512567 0.511174 0.013062 Fe\n0.011816 -0.013883 0.975367 Fe\n0.589787 0.160288 0.211930 P\n0.082978 0.348118 0.773187 P\n0.007736 0.557365 0.213485 H\n0.493499 0.805475 0.807998 H\n0.657889 -0.021717 0.732486 H\n0.253516 0.630890 0.340164 H\n0.210839 0.643658 0.880936 O\n0.270083 0.153314 0.202042 O\n0.760490 0.332397 0.778318 O\n0.710341 0.263303 0.388734 O\n0.197163 0.241328 0.596882 O\n0.668447 0.817437 0.750979 O\n0.172506 0.688572 0.262572 O\n0.723441 0.326129 0.121556 O\n0.202034 0.202585 0.872867 O\n0.701899 0.875147 0.102237 O\n",
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"volume_molar": 6.434837489947313,
"formula_full": "Li2 Fe2 P2 H4 O10",
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{
"id": "jvasp-9755",
"created_at": "2022-09-04T14:38:11.181603Z",
"updated_at": "2022-09-04T14:38:11.181632Z",
"structure_string": "Na2 Mg1 C2 O6\n1.0\n4.520541 -0.017829 4.145139\n1.812033 4.141515 4.145139\n-0.027380 -0.017829 6.133248\nNa Mg C O\n2 1 2 6\ndirect\n0.197796 0.197797 0.197797 Na\n0.802203 0.802204 0.802204 Na\n0.000000 0.000000 0.000000 Mg\n0.590521 0.590523 0.590523 C\n0.409477 0.409478 0.409478 C\n0.193264 0.700600 0.338603 O\n0.700599 0.338603 0.193265 O\n0.338603 0.193265 0.700600 O\n0.806735 0.299401 0.661398 O\n0.661396 0.806736 0.299401 O\n0.299400 0.661398 0.806736 O\n",
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"density_atomic": 0.0950764582806122,
"volume": 115.69635847744969,
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"formula_anonymous": "AB2C2D6",
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{
"id": "jvasp-117974",
"created_at": "2022-09-04T14:38:47.103061Z",
"updated_at": "2022-09-04T14:38:47.103090Z",
"structure_string": "Ca1 Ga1 H1\n1.0\n4.016158 0.131141 0.000000\n-0.153120 4.693865 0.000000\n0.000000 0.000000 3.569872\nCa Ga H\n1 1 1\ndirect\n0.417217 -0.162445 0.000000 Ca\n-0.082754 0.369516 0.000000 Ga\n-0.082790 0.005698 0.000000 H\n",
"nsites": 3,
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"volume": 67.36842455958238,
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"formula_full": "Ca1 Ga1 H1",
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},
{
"id": "jvasp-4273",
"created_at": "2022-09-04T14:37:17.211498Z",
"updated_at": "2022-09-04T14:37:17.211518Z",
"structure_string": "As4 Cl12\n1.0\n4.086803 0.000000 0.000000\n0.000000 9.462370 0.000000\n0.000000 0.000000 11.400438\nAs Cl\n4 12\ndirect\n-0.005166 0.698036 0.787697 As\n0.494833 0.801964 0.212303 As\n0.005166 0.198036 0.712303 As\n0.505166 0.301964 0.287697 As\n0.254703 0.515135 0.867764 Cl\n0.754702 0.984865 0.132236 Cl\n0.745296 0.015135 0.632236 Cl\n0.245297 0.484865 0.367764 Cl\n0.226779 0.297287 0.120063 Cl\n0.726778 0.202713 0.879937 Cl\n0.773220 0.797287 0.379937 Cl\n0.273221 0.702713 0.620063 Cl\n0.232409 0.132748 0.383313 Cl\n0.732409 0.367252 0.616687 Cl\n0.767590 0.632748 0.116687 Cl\n0.267590 0.867252 0.883313 Cl\n",
"nsites": 16,
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"elements": [
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"density": 2.731210995703318,
"density_atomic": 0.0362923270710029,
"volume": 440.8645378042951,
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"formula_full": "As4 Cl12",
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{
"id": "jvasp-37958",
"created_at": "2022-09-04T14:37:59.827069Z",
"updated_at": "2022-09-04T14:37:59.827093Z",
"structure_string": "Al4 H12 O12\n1.0\n5.083121 0.000000 0.000000\n0.000000 5.135268 0.000000\n0.000000 0.000000 7.267490\nAl H O\n4 12 12\ndirect\n0.247884 -0.000207 0.499558 Al\n0.252116 0.000207 0.999558 Al\n0.747884 0.500207 0.500442 Al\n0.752116 0.499793 0.000442 Al\n0.965335 0.705541 0.747101 H\n0.918739 0.832687 0.202816 H\n0.715123 0.039654 0.979109 H\n0.581261 0.167314 0.702816 H\n0.534665 0.294460 0.247101 H\n0.784877 0.960347 0.479109 H\n0.418739 0.667314 0.797184 H\n0.284877 0.539654 0.520891 H\n0.215123 0.460346 0.020891 H\n0.081261 0.332687 0.297184 H\n0.034665 0.205540 0.752899 H\n0.465335 0.794460 0.252899 H\n0.868297 0.538473 0.749960 O\n0.631702 0.461528 0.249960 O\n0.585483 0.177404 0.941091 O\n0.572781 0.180938 0.565010 O\n0.427219 0.680938 0.934990 O\n0.131702 0.038472 0.750040 O\n0.368298 0.961528 0.250040 O\n0.085483 0.322596 0.058909 O\n0.072781 0.319062 0.434990 O\n0.914517 0.822596 0.441091 O\n0.414517 0.677405 0.558910 O\n0.927218 0.819062 0.065010 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 2.731149669931186,
"density_atomic": 0.1475978485454111,
"volume": 189.70466220166685,
"volume_molar": 4.080100637881032,
"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
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"spacegroup": 19
},
{
"id": "jvasp-95211",
"created_at": "2022-09-04T14:36:03.374681Z",
"updated_at": "2022-09-04T14:36:03.374700Z",
"structure_string": "Na2 Si6 B2 O16\n1.0\n3.067611 6.200755 -2.105627\n-3.942834 6.223025 1.386608\n0.016000 0.001510 6.864900\nNa Si B O\n2 6 2 16\ndirect\n0.737232 0.246647 0.868413 Na\n0.262770 0.753353 0.131587 Na\n0.184277 0.195467 0.791176 Si\n0.815725 0.804533 0.208824 Si\n0.199973 0.599763 0.680339 Si\n0.800028 0.400237 0.319661 Si\n0.457038 0.816218 0.646130 Si\n0.542963 0.183782 0.353871 Si\n0.170847 0.147577 0.221709 B\n0.829154 0.852423 0.778291 B\n0.312308 0.925711 0.382550 O\n0.687694 0.074289 0.617451 O\n0.706877 0.652438 0.203112 O\n0.293124 0.347562 0.796888 O\n0.274462 0.271804 0.272152 O\n0.725540 0.728197 0.727848 O\n0.648968 0.021152 0.233487 O\n0.434475 0.605665 0.724647 O\n0.940151 0.248176 0.212926 O\n0.059850 0.751824 0.787074 O\n0.565526 0.394335 0.275353 O\n0.936505 0.326214 0.582773 O\n0.142264 0.127900 0.004424 O\n0.857738 0.872100 0.995576 O\n0.351033 0.978848 0.766513 O\n0.063496 0.673786 0.417227 O\n",
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"volume": 299.23987512666844,
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"formula_full": "Na2 Si6 B2 O16",
"formula_reduced": "NaSi3BO8",
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{
"id": "jvasp-109898",
"created_at": "2022-09-04T14:37:26.913485Z",
"updated_at": "2022-09-04T14:37:26.913511Z",
"structure_string": "Rb2 Na1 Sc1 Cl6\n1.0\n6.318418 -0.000000 3.647940\n2.106139 5.957061 3.647940\n-0.000000 -0.000000 7.295880\nRb Na Sc Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.759623 0.240377 0.240377 Cl\n0.240377 0.240377 0.759623 Cl\n0.240377 0.759623 0.759623 Cl\n0.240377 0.759623 0.240377 Cl\n0.759623 0.240377 0.759623 Cl\n0.759623 0.759623 0.240377 Cl\n",
"nsites": 10,
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],
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"volume": 274.61109707136353,
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"formula_full": "Rb2 Na1 Sc1 Cl6",
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{
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"created_at": "2022-09-04T14:36:18.264750Z",
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"structure_string": "B4 N4\n1.0\n2.514390 3.275901 0.963900\n-2.514390 3.275901 0.963900\n0.000000 2.283948 4.336399\nB N\n4 4\ndirect\n0.026022 0.276021 0.447962 B\n0.723979 0.973977 0.052038 B\n0.973977 0.723979 0.552038 B\n0.276021 0.026023 0.947962 B\n0.053399 0.303346 0.749950 N\n0.696654 0.946601 0.750051 N\n0.946601 0.696654 0.250051 N\n0.303346 0.053399 0.249949 N\n",
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{
"id": "jvasp-71885",
"created_at": "2022-09-04T14:36:12.516316Z",
"updated_at": "2022-09-04T14:36:12.516330Z",
"structure_string": "Be1 Si1 P2\n1.0\n-1.661525 1.661525 5.454676\n1.661525 -1.661525 5.454676\n1.661525 1.661525 -5.454676\nBe Si P\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 P\n0.250000 0.749999 0.499999 P\n",
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{
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"created_at": "2022-09-04T14:37:36.809526Z",
"updated_at": "2022-09-04T14:37:36.809537Z",
"structure_string": "Li1 Si1 B1 O4\n1.0\n3.871875 0.000000 -2.101093\n-1.140169 3.700193 -2.101093\n0.013186 0.017860 4.642372\nLi Si B O\n1 1 1 4\ndirect\n0.500000 0.500000 0.000001 Li\n0.000000 0.000000 0.000000 Si\n0.250000 0.749999 0.500000 B\n0.144930 0.713901 0.743513 O\n0.598585 0.029611 0.743514 O\n0.970390 0.855069 0.256488 O\n0.286099 0.401416 0.256487 O\n",
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},
{
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"created_at": "2022-09-04T14:38:11.824052Z",
"updated_at": "2022-09-04T14:38:11.824079Z",
"structure_string": "Sr2 N12\n1.0\n5.475580 -0.000000 2.833678\n2.737791 5.803781 1.416840\n0.055724 -0.000000 6.599458\nSr N\n2 12\ndirect\n0.624999 0.750000 0.750001 Sr\n0.375000 0.250000 0.250000 Sr\n0.830848 0.382080 0.497980 N\n0.210908 0.117920 0.002021 N\n0.000491 0.250000 0.999018 N\n0.749508 0.250000 0.500984 N\n0.999508 0.750000 0.000983 N\n0.250491 0.750000 0.499018 N\n0.328827 0.882080 0.502021 N\n0.212928 0.617920 -0.002021 N\n0.789092 0.882080 -0.002021 N\n0.169151 0.617920 0.502021 N\n0.671172 0.117920 0.497980 N\n0.787072 0.382080 0.002021 N\n",
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"elements": [
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"density": 2.73024235817805,
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"volume": 208.808179557062,
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"formula_full": "Sr2 N12",
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}
]
}