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{
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"results": [
{
"id": "jvasp-96762",
"created_at": "2022-09-04T14:36:21.975524Z",
"updated_at": "2022-09-04T14:36:21.975557Z",
"structure_string": "Li12 As4 S12\n1.0\n6.649222 0.000000 0.000000\n0.000000 7.932393 0.000000\n0.000000 0.000000 9.882870\nLi As S\n12 4 12\ndirect\n0.122185 0.750557 0.886901 Li\n0.877814 0.249442 0.386901 Li\n0.377814 0.250557 0.886901 Li\n0.622185 0.749442 0.386901 Li\n0.348317 0.085041 0.188297 Li\n0.651682 0.914958 0.688297 Li\n0.453479 0.566475 0.721284 Li\n0.546520 0.433525 0.221284 Li\n0.046520 0.066475 0.721284 Li\n0.953479 0.933525 0.221284 Li\n0.151682 0.585041 0.188297 Li\n0.848317 0.414959 0.688297 Li\n0.895303 0.249726 0.000876 As\n0.104696 0.750274 0.500876 As\n0.604696 0.749726 0.000876 As\n0.395304 0.250274 0.500876 As\n0.297129 0.843474 0.677229 S\n0.211122 0.320234 0.313405 S\n0.788878 0.679766 0.813405 S\n0.360383 0.542526 0.991308 S\n0.639617 0.457474 0.491308 S\n0.139617 0.042526 0.991308 S\n0.860383 0.957474 0.491308 S\n0.288878 0.820234 0.313405 S\n0.711122 0.179766 0.813405 S\n0.797129 0.656526 0.177229 S\n0.702871 0.156526 0.177229 S\n0.202871 0.343474 0.677229 S\n",
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{
"id": "jvasp-97013",
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"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n10.547526 0.000000 0.000000\n0.000000 8.136637 0.000000\n0.000000 0.000000 4.980353\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.811682 0.319878 0.751440 Li\n0.188318 0.680122 0.251440 Li\n0.688319 0.819878 0.251440 Li\n0.311682 0.180122 0.751440 Li\n0.655936 0.417430 0.245452 Al\n0.344065 0.582570 0.745452 Al\n0.844065 0.917431 0.745452 Al\n0.155935 0.082570 0.245452 Al\n0.858019 0.128774 0.244335 Si\n0.141981 0.871227 0.744335 Si\n0.641981 0.628774 0.744335 Si\n0.358019 0.371226 0.244335 Si\n0.482310 0.958693 0.113332 H\n0.982310 0.541308 0.113332 H\n0.017690 0.458693 0.613332 H\n0.517690 0.041308 0.613332 H\n0.469651 0.829197 0.360903 H\n0.969651 0.670804 0.360903 H\n0.030349 0.329196 0.860902 H\n0.530349 0.170804 0.860902 H\n0.019616 0.579720 0.284751 O\n0.980384 0.420281 0.784751 O\n0.170540 0.893330 0.067190 O\n0.829460 0.106671 0.567189 O\n0.329460 0.393330 0.567189 O\n0.670541 0.606671 0.067190 O\n0.184009 0.042761 0.590099 O\n0.815991 0.957240 0.090099 O\n0.315991 0.542761 0.090099 O\n0.272818 0.218817 0.127007 O\n0.727182 0.781184 0.627006 O\n0.227182 0.718817 0.627006 O\n0.772818 0.281184 0.127007 O\n0.006646 0.167826 0.179189 O\n0.993354 0.832174 0.679189 O\n0.493354 0.667826 0.679189 O\n0.506647 0.332174 0.179189 O\n0.519617 0.920281 0.284751 O\n0.684009 0.457239 0.590099 O\n0.480384 0.079719 0.784751 O\n",
"nsites": 40,
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"formula_full": "Li4 Al4 Si4 H8 O20",
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"spacegroup": 33
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{
"id": "jvasp-50610",
"created_at": "2022-09-04T14:36:36.111893Z",
"updated_at": "2022-09-04T14:36:36.111924Z",
"structure_string": "Li4 Si4 Bi4 O16\n1.0\n5.178085 0.000000 0.000000\n0.000000 7.930359 0.000000\n0.000000 0.000000 8.400228\nLi Si Bi O\n4 4 4 16\ndirect\n0.969225 0.798870 0.084836 Li\n0.969225 0.298870 0.415164 Li\n0.469226 0.701131 0.584836 Li\n0.469226 0.201131 0.915164 Li\n0.987527 0.241940 0.068972 Si\n0.987527 0.741940 0.431028 Si\n0.487527 0.258060 0.568972 Si\n0.487527 0.758060 0.931028 Si\n0.958658 0.510511 0.747763 Bi\n0.958658 0.010511 0.752237 Bi\n0.458659 0.989490 0.247763 Bi\n0.458659 0.489489 0.252237 Bi\n0.597923 0.953457 0.920829 O\n0.292680 0.716472 0.784080 O\n0.292680 0.216472 0.715920 O\n0.597923 0.453457 0.579172 O\n0.746754 0.135212 0.555781 O\n0.830567 0.759081 0.603658 O\n0.330568 0.240919 0.396342 O\n0.246754 0.364788 0.055780 O\n0.097923 0.546543 0.420829 O\n0.792680 0.783528 0.284080 O\n0.792680 0.283528 0.215920 O\n0.097923 0.046543 0.079171 O\n0.746754 0.635212 0.944220 O\n0.330568 0.740919 0.103658 O\n0.246754 0.864789 0.444220 O\n0.830567 0.259081 0.896342 O\n",
"nsites": 28,
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"formula_full": "Li4 Si4 Bi4 O16",
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{
"id": "jvasp-10496",
"created_at": "2022-09-04T14:36:41.321460Z",
"updated_at": "2022-09-04T14:36:41.321483Z",
"structure_string": "Na4 Al4 O8\n1.0\n5.251874 0.000000 0.000000\n0.000000 5.437665 0.000000\n0.000000 0.000000 7.043907\nNa Al O\n4 4 8\ndirect\n0.484803 0.431961 0.122738 Na\n0.984802 0.068039 0.622738 Na\n0.984802 0.568040 0.877263 Na\n0.484803 0.931962 0.377262 Na\n0.000238 0.562703 0.374191 Al\n0.500238 0.437297 0.625810 Al\n0.500238 0.937298 0.874191 Al\n0.000238 0.062703 0.125809 Al\n0.927481 0.877760 0.327895 O\n0.427481 0.122241 0.672106 O\n0.427481 0.622242 0.827895 O\n0.927481 0.377759 0.172106 O\n0.331877 0.534144 0.420844 O\n0.331877 0.034144 0.079156 O\n0.831876 0.965857 0.920844 O\n0.831876 0.465856 0.579156 O\n",
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"formula_full": "Na4 Al4 O8",
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{
"id": "jvasp-9423",
"created_at": "2022-09-04T14:36:42.299687Z",
"updated_at": "2022-09-04T14:36:42.299738Z",
"structure_string": "Li4 Ga4 S8\n1.0\n6.262687 0.000000 0.000000\n0.000000 6.552438 0.000000\n0.000000 0.000000 7.834132\nLi Ga S\n4 4 8\ndirect\n0.619134 0.585698 0.122551 Li\n0.119134 0.914302 0.622551 Li\n0.619134 0.085698 0.377449 Li\n0.119134 0.414302 0.877449 Li\n0.622114 0.574638 0.625856 Ga\n0.122114 0.425363 0.374144 Ga\n0.122114 0.925363 0.125856 Ga\n0.622114 0.074637 0.874144 Ga\n0.990487 0.069513 0.880841 S\n0.990487 0.569513 0.619158 S\n0.490487 0.930488 0.119159 S\n0.490487 0.430487 0.380841 S\n0.504475 0.907815 0.633234 S\n0.004475 0.092186 0.366766 S\n0.004475 0.592186 0.133234 S\n0.504475 0.407815 0.866766 S\n",
"nsites": 16,
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"density": 2.9089665299508876,
"density_atomic": 0.049769751311978985,
"volume": 321.4804088472307,
"volume_molar": 12.10000171037733,
"formula_full": "Li4 Ga4 S8",
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},
{
"id": "jvasp-55606",
"created_at": "2022-09-04T14:36:43.202838Z",
"updated_at": "2022-09-04T14:36:43.202864Z",
"structure_string": "Li4 I4 O12\n1.0\n5.206316 0.000000 0.000000\n0.000000 5.836815 0.000000\n0.000000 0.000000 9.341019\nLi I O\n4 4 12\ndirect\n0.977082 0.413927 0.481274 Li\n0.977082 0.086073 0.981274 Li\n0.477081 0.586073 0.518726 Li\n0.477081 0.913928 0.018726 Li\n0.511883 0.422273 0.181478 I\n0.011883 0.577728 0.818522 I\n0.511883 0.077727 0.681478 I\n0.011883 0.922274 0.318522 I\n0.190973 0.832450 0.873464 O\n0.690973 0.332449 0.626536 O\n0.690973 0.167551 0.126536 O\n0.190973 0.667552 0.373464 O\n0.180012 0.527756 0.650263 O\n0.173252 0.142520 0.426214 O\n0.673252 0.857481 0.573787 O\n0.180012 0.972246 0.150263 O\n0.680012 0.027755 0.849738 O\n0.680012 0.472245 0.349737 O\n0.673252 0.642521 0.073786 O\n0.173252 0.357480 0.926214 O\n",
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"formula_full": "Li4 I4 O12",
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},
{
"id": "jvasp-48137",
"created_at": "2022-09-04T14:36:46.297369Z",
"updated_at": "2022-09-04T14:36:46.297397Z",
"structure_string": "Li4 Mn4 F12\n1.0\n5.230421 0.000000 0.000000\n0.000000 5.220419 0.000000\n0.000000 0.000000 8.359539\nLi Mn F\n4 4 12\ndirect\n0.483413 0.863413 0.002073 Li\n0.983413 0.363413 0.497927 Li\n0.483413 0.636587 0.502073 Li\n0.983413 0.136587 0.997927 Li\n0.450321 0.353505 0.175492 Mn\n0.950321 0.853505 0.324508 Mn\n0.450321 0.146495 0.675493 Mn\n0.950321 0.646495 0.824508 Mn\n0.728211 0.994148 0.837667 F\n0.228211 0.494148 0.662334 F\n0.724394 0.454841 0.651092 F\n0.646933 0.953457 0.493350 F\n0.146933 0.046543 0.506650 F\n0.724394 0.045159 0.151092 F\n0.728211 0.505852 0.337667 F\n0.228211 0.005852 0.162334 F\n0.224394 0.954841 0.848908 F\n0.646933 0.546543 -0.006650 F\n0.224394 0.545159 0.348908 F\n0.146933 0.453457 0.006650 F\n",
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{
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"created_at": "2022-09-04T14:36:47.577421Z",
"updated_at": "2022-09-04T14:36:47.577456Z",
"structure_string": "P16 Se20\n1.0\n6.676504 0.000000 0.000000\n0.000000 11.210675 0.000000\n0.000000 0.000000 12.927410\nP Se\n16 20\ndirect\n0.492718 0.463584 0.441908 P\n0.962456 0.985529 0.326325 P\n0.037544 0.485529 0.673675 P\n0.537543 0.985529 0.826325 P\n0.901179 0.152415 0.098303 P\n0.098821 0.652415 0.901697 P\n0.598820 0.152415 0.598303 P\n0.401179 0.652415 0.401697 P\n0.462456 0.485529 0.173675 P\n0.689090 0.517430 0.891611 P\n0.189090 0.017430 0.608389 P\n0.810909 0.517430 0.391611 P\n0.992717 0.963584 0.058092 P\n0.007282 0.463584 0.941908 P\n0.507282 0.963584 0.558092 P\n0.310909 0.017430 0.108389 P\n0.173598 0.664747 0.728286 Se\n0.823105 0.244760 0.508794 Se\n0.176894 0.744760 0.491206 Se\n0.224330 0.215289 0.066996 Se\n0.775670 0.715290 0.933004 Se\n0.275670 0.215289 0.566996 Se\n0.724329 0.715290 0.433004 Se\n0.826401 0.164747 0.271714 Se\n0.673598 0.164747 0.771714 Se\n0.639488 0.860781 0.691612 Se\n0.298664 -0.000733 0.286363 Se\n0.701336 0.499268 0.713637 Se\n0.201336 -0.000733 0.786363 Se\n0.798663 0.499268 0.213637 Se\n0.860511 0.860781 0.191612 Se\n0.139488 0.360781 0.808388 Se\n0.323105 0.744760 0.991206 Se\n0.360511 0.360781 0.308388 Se\n0.326401 0.664747 0.228286 Se\n0.676894 0.244760 0.008794 Se\n",
"nsites": 36,
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"spacegroup": 33
},
{
"id": "jvasp-22571",
"created_at": "2022-09-04T14:36:51.544789Z",
"updated_at": "2022-09-04T14:36:51.544800Z",
"structure_string": "Si4 O8\n1.0\n5.024807 0.000000 0.000000\n0.000000 5.034641 0.000000\n0.000000 0.000000 6.936629\nSi O\n4 8\ndirect\n0.999429 0.053528 0.624595 Si\n0.499429 0.446472 0.124595 Si\n0.499429 0.946472 0.375405 Si\n0.999429 0.553528 0.875405 Si\n0.442440 0.641829 0.307979 O\n0.942440 0.358171 0.692021 O\n0.442440 0.141829 0.192021 O\n0.308142 0.519410 0.942835 O\n0.808142 0.980590 0.442835 O\n0.942440 0.858171 0.807980 O\n0.308142 0.019410 0.557165 O\n0.808142 0.480590 0.057165 O\n",
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],
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"volume": 175.48352952177905,
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"formula_full": "Si4 O8",
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"spacegroup": 33
},
{
"id": "jvasp-12916",
"created_at": "2022-09-04T14:37:02.416811Z",
"updated_at": "2022-09-04T14:37:02.416831Z",
"structure_string": "Br8 O4\n1.0\n3.876336 0.000000 0.000000\n0.000000 6.776501 0.000000\n0.000000 0.000000 10.334601\nBr O\n8 4\ndirect\n0.640192 0.320519 0.507466 Br\n0.359809 0.820519 0.492534 Br\n0.859809 0.320519 0.007466 Br\n0.140192 0.820519 0.992534 Br\n0.095964 0.496447 0.227335 Br\n0.904037 -0.003553 0.772665 Br\n0.404036 0.496447 0.727335 Br\n0.595965 -0.003553 0.272665 Br\n0.350381 0.704934 0.147713 O\n0.649620 0.204935 0.852287 O\n0.149619 0.704934 0.647713 O\n0.850382 0.204935 0.352287 O\n",
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},
{
"id": "jvasp-22534",
"created_at": "2022-09-04T14:37:05.084409Z",
"updated_at": "2022-09-04T14:37:05.084441Z",
"structure_string": "As4 F12\n1.0\n5.082481 0.000000 0.000000\n0.000000 6.676853 0.000000\n0.000000 0.000000 7.181116\nAs F\n4 12\ndirect\n0.463331 0.206741 0.243271 As\n0.536669 0.793258 0.743271 As\n0.036669 0.706741 0.243271 As\n0.963331 0.293259 0.743271 As\n0.185366 0.322158 0.355560 F\n0.814634 0.677842 0.855560 F\n0.314634 0.822158 0.355560 F\n0.685366 0.177842 0.855560 F\n0.103060 0.055418 0.685992 F\n0.896940 0.944581 0.185992 F\n0.396940 0.555418 0.685992 F\n0.603060 0.444581 0.185992 F\n0.135589 0.310384 0.960378 F\n0.864411 0.689615 0.460378 F\n0.364411 0.810384 0.960378 F\n0.635589 0.189616 0.460378 F\n",
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"spacegroup": 33
},
{
"id": "jvasp-9401",
"created_at": "2022-09-04T14:37:06.793984Z",
"updated_at": "2022-09-04T14:37:06.793995Z",
"structure_string": "Na4 Ga4 O8\n1.0\n5.341946 0.000000 0.000000\n0.000000 5.569543 0.000000\n0.000000 0.000000 7.235977\nNa Ga O\n4 4 8\ndirect\n0.014141 0.068026 0.622465 Na\n0.514142 0.431974 0.122464 Na\n0.514142 0.931974 0.377536 Na\n0.014141 0.568025 0.877536 Na\n-0.000055 0.064209 0.126065 Ga\n0.499946 0.935791 0.873935 Ga\n0.499946 0.435791 0.626065 Ga\n-0.000055 0.564208 0.373935 Ga\n0.153033 0.458901 0.590456 O\n0.653033 0.541099 0.409545 O\n0.653033 0.041099 0.090456 O\n0.153033 0.958901 0.909545 O\n0.082382 0.888877 0.338490 O\n0.082382 0.388877 0.161510 O\n0.582382 0.611122 0.838491 O\n0.582382 0.111123 0.661510 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Ga",
"O"
],
"chemical_system": "Ga-Na-O",
"density": 3.8476857976059184,
"density_atomic": 0.07431966613913567,
"volume": 215.28622007055316,
"volume_molar": 8.103024505957553,
"formula_full": "Na4 Ga4 O8",
"formula_reduced": "NaGaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.41315458125,
"spacegroup": 33
}
]
}