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{
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"results": [
{
"id": "jvasp-44569",
"created_at": "2022-09-04T14:37:30.928382Z",
"updated_at": "2022-09-04T14:37:30.928408Z",
"structure_string": "Li2 Mg1 Cu2 Si4 O12\n1.0\n5.234538 0.029784 -0.003597\n0.741723 5.701410 0.025720\n1.293021 0.601136 7.367845\nLi Mg Cu Si O\n2 1 2 4 12\ndirect\n0.918230 0.756796 0.413585 Li\n0.081769 0.243204 0.586416 Li\n0.000000 0.000000 0.000000 Mg\n0.494240 0.835232 0.183604 Cu\n0.505759 0.164768 0.816396 Cu\n0.304037 0.774445 0.626587 Si\n0.784539 0.585960 0.815878 Si\n0.215460 0.414040 0.184123 Si\n0.695963 0.225555 0.373414 Si\n0.401406 0.355704 0.348542 O\n0.761480 0.319671 0.907958 O\n0.914105 0.420059 0.306862 O\n0.085894 0.579941 0.693138 O\n0.238520 0.680329 0.092042 O\n0.770930 -0.000316 0.249971 O\n0.269600 0.859616 0.418872 O\n0.737172 0.797301 0.949363 O\n0.730400 0.140384 0.581128 O\n0.229070 0.000316 0.750029 O\n0.598594 0.644296 0.651458 O\n0.262827 0.202699 0.050637 O\n",
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"formula_full": "Li2 Mg1 Cu2 Si4 O12",
"formula_reduced": "Li2MgCu2(SiO3)4",
"formula_anonymous": "AB2C2D4E12",
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{
"id": "jvasp-119173",
"created_at": "2022-09-04T14:38:52.728927Z",
"updated_at": "2022-09-04T14:38:52.728937Z",
"structure_string": "Li2 La3 Nd1 Sb2 O12\n1.0\n5.614473 0.000700 -0.041853\n-0.015657 5.790295 -0.000422\n-0.006631 0.000254 7.976423\nLi La Nd Sb O\n2 3 1 2 12\ndirect\n0.502926 0.999391 0.497760 Li\n0.997613 0.497054 0.002012 Li\n0.512494 0.551436 0.749359 La\n0.988882 0.049080 0.749735 La\n0.487119 0.448802 0.251373 La\n0.015125 0.942111 0.247590 Nd\n0.998140 0.498954 0.498427 Sb\n0.501873 0.001012 0.001859 Sb\n0.305709 0.717554 0.053363 O\n0.807073 0.785374 0.549261 O\n0.789805 0.806684 0.955636 O\n0.284368 0.697539 0.451905 O\n0.212238 0.192678 0.050469 O\n0.409587 0.972042 0.758428 O\n0.602126 0.029789 0.243270 O\n0.091649 0.470512 0.741635 O\n0.186457 0.211618 0.446707 O\n0.907335 0.533446 0.255988 O\n0.708007 0.306924 0.545508 O\n0.691465 0.288002 0.949717 O\n",
"nsites": 20,
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"elements": [
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"density": 6.470040534964601,
"density_atomic": 0.07712846250654753,
"volume": 259.30764532356875,
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"formula_full": "Li2 La3 Nd1 Sb2 O12",
"formula_reduced": "Li2La3Nd(SbO6)2",
"formula_anonymous": "AB2C2D3E12",
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"spacegroup": 1
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{
"id": "jvasp-97428",
"created_at": "2022-09-04T14:35:43.523210Z",
"updated_at": "2022-09-04T14:35:43.523242Z",
"structure_string": "Li4 H16 S4 N4 O16\n1.0\n5.344794 0.000000 0.000000\n0.000000 8.566465 0.000000\n0.000000 0.000000 9.042341\nLi H S N O\n4 16 4 4 16\ndirect\n0.256059 0.808554 0.416062 Li\n0.256059 0.308553 0.083938 Li\n0.756058 0.191447 0.583938 Li\n0.756058 0.691447 0.916062 Li\n0.435809 0.046383 0.776488 H\n0.435809 0.546383 0.723512 H\n0.702009 0.506667 0.163327 H\n0.141846 0.593164 0.678115 H\n0.702009 0.006667 0.336673 H\n0.641846 0.406836 0.321885 H\n0.202009 0.993334 0.663327 H\n0.202009 0.493334 0.836672 H\n0.229050 0.404089 0.669227 H\n0.141846 0.093164 0.821885 H\n0.229050 0.904089 0.830773 H\n0.729049 0.095911 0.169227 H\n0.935809 0.453617 0.276488 H\n0.935809 0.953618 0.223512 H\n0.729049 0.595911 0.330773 H\n0.641846 0.906837 0.178115 H\n0.251083 0.203754 0.420577 S\n0.751082 0.796247 0.579422 S\n0.751082 0.296247 0.920577 S\n0.251083 0.703754 0.079422 S\n0.253047 0.507656 0.727687 N\n0.753046 0.492344 0.272313 N\n0.253047 0.007656 0.772313 N\n0.753046 -0.007656 0.227687 N\n0.647708 0.739965 0.722055 O\n0.147708 0.260035 0.277945 O\n0.011505 0.235316 0.940739 O\n0.091195 0.763182 0.955731 O\n0.754887 0.468681 0.923559 O\n0.754887 0.968681 0.576441 O\n0.147708 0.760036 0.222055 O\n0.011505 0.735317 0.559261 O\n0.254888 0.531320 0.076441 O\n0.091195 0.263182 0.544269 O\n0.591194 0.736819 0.455731 O\n0.511504 0.764684 0.059261 O\n0.254888 0.031320 0.423559 O\n0.647708 0.239965 0.777945 O\n0.591194 0.236819 0.044269 O\n0.511504 0.264684 0.440739 O\n",
"nsites": 44,
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"elements": [
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"density_atomic": 0.10627697380618224,
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"formula_full": "Li4 H16 S4 N4 O16",
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{
"id": "jvasp-98320",
"created_at": "2022-09-04T14:35:45.483574Z",
"updated_at": "2022-09-04T14:35:45.483590Z",
"structure_string": "Li4 H20 S4 N8 O16\n1.0\n9.974600 0.000000 0.000000\n0.000000 8.871640 0.000000\n0.000000 0.000000 5.096617\nLi H S N O\n4 20 4 8 16\ndirect\n0.671125 0.563760 0.752038 Li\n0.328875 0.436240 0.252038 Li\n0.828875 0.063760 0.252038 Li\n0.171125 0.936240 0.752038 Li\n0.969230 0.209254 0.590528 H\n0.030770 0.790746 0.090528 H\n0.530770 0.709254 0.090528 H\n0.469230 0.290746 0.590528 H\n0.951834 0.233340 0.920375 H\n0.048166 0.766660 0.420374 H\n0.548166 0.733340 0.420374 H\n0.451834 0.266660 0.920375 H\n0.842091 0.313209 0.704435 H\n0.157909 0.686791 0.204435 H\n0.342091 0.186791 0.704435 H\n0.010874 0.468924 0.551616 H\n0.989126 0.531076 0.051615 H\n0.489126 0.968924 0.051615 H\n0.510874 0.031076 0.551616 H\n0.378939 0.885346 0.249974 H\n0.621061 0.114654 0.749975 H\n0.121061 0.385346 0.749975 H\n0.878939 0.614654 0.249974 H\n0.657909 0.813209 0.204435 H\n0.157045 0.131837 0.252967 S\n0.842955 0.868163 0.752967 S\n0.342955 0.631837 0.752967 S\n0.657045 0.368163 0.252967 S\n0.523152 0.080204 0.735594 N\n0.476848 0.919796 0.235593 N\n0.976848 0.580204 0.235593 N\n0.023152 0.419796 0.735594 N\n0.441667 0.215887 0.737232 N\n0.558333 0.784113 0.237232 N\n0.058333 0.715887 0.237232 N\n0.941667 0.284113 0.737232 N\n0.302578 0.493437 0.609800 O\n0.697422 0.506563 0.109800 O\n0.225087 0.265646 0.143611 O\n0.774913 0.734354 0.643612 O\n0.274913 0.765646 0.643612 O\n0.725087 0.234354 0.143611 O\n0.007788 0.152871 0.229885 O\n0.189366 0.114624 0.538550 O\n0.492212 0.652871 0.729885 O\n0.507788 0.347129 0.229885 O\n0.802578 0.006563 0.609800 O\n0.810634 0.885376 0.038549 O\n0.310634 0.614624 0.038549 O\n0.689367 0.385376 0.538550 O\n0.992212 0.847129 0.729885 O\n0.197422 0.993437 0.109800 O\n",
"nsites": 52,
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"elements": [
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],
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"density": 2.0037688658352475,
"density_atomic": 0.11529804569827252,
"volume": 451.0050424972563,
"volume_molar": 5.223107402669729,
"formula_full": "Li4 H20 S4 N8 O16",
"formula_reduced": "LiH5S(NO2)2",
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},
{
"id": "jvasp-97668",
"created_at": "2022-09-04T14:36:04.979486Z",
"updated_at": "2022-09-04T14:36:04.979510Z",
"structure_string": "Li2 H40 C16 Br2 O8\n1.0\n6.312638 3.890178 -0.578819\n-6.312638 3.890178 0.578819\n0.226929 0.000000 11.929482\nLi H C Br O\n2 40 16 2 8\ndirect\n0.934295 0.934294 0.750000 Li\n0.065706 0.065706 0.250000 Li\n0.877130 0.365015 0.415386 H\n0.365015 0.877130 0.084614 H\n0.183163 0.898765 0.575135 H\n0.898765 0.183163 0.924865 H\n0.816837 0.101236 0.424865 H\n0.101236 0.816837 0.075135 H\n0.227042 0.787981 0.873623 H\n0.787981 0.227042 0.626377 H\n0.772959 0.212019 0.126377 H\n0.372492 0.923912 0.755692 H\n0.923912 0.372492 0.744307 H\n0.627509 0.076089 0.244308 H\n0.076089 0.627509 0.255692 H\n0.282374 0.653476 0.771250 H\n0.653476 0.282374 0.728750 H\n0.717627 0.346524 0.228750 H\n0.346524 0.717627 0.271250 H\n0.634986 0.122870 0.915386 H\n0.122870 0.634986 0.584614 H\n0.212019 0.772958 0.373623 H\n0.430403 0.234867 0.527397 H\n0.234868 0.430403 0.972603 H\n0.864469 0.701757 0.463699 H\n0.701757 0.864469 0.036300 H\n0.135532 0.298243 0.536300 H\n0.298244 0.135532 0.963699 H\n0.757715 0.540331 0.585078 H\n0.540331 0.757714 0.914921 H\n0.459669 0.242286 0.085078 H\n0.556719 0.892706 0.593438 H\n0.242286 0.459669 0.414921 H\n0.569598 0.765133 0.472603 H\n0.443282 0.107294 0.406562 H\n0.107294 0.443282 0.093438 H\n0.495386 0.629930 0.606275 H\n0.629930 0.495386 0.893725 H\n0.504614 0.370070 0.393725 H\n0.370070 0.504614 0.106275 H\n0.892706 0.556719 0.906562 H\n0.765133 0.569598 0.027397 H\n0.926321 0.252089 0.393866 C\n0.252089 0.926321 0.106134 C\n0.248963 0.780466 0.784279 C\n0.219535 0.751038 0.284279 C\n0.751038 0.219535 0.215720 C\n0.747912 0.073680 0.893866 C\n0.780466 0.248963 0.715720 C\n0.073680 0.747912 0.606134 C\n0.134919 0.306276 0.443688 C\n0.407793 0.223948 0.435451 C\n0.776052 0.592207 0.935451 C\n0.592207 0.776052 0.564549 C\n0.306276 0.134919 0.056312 C\n0.693725 0.865082 0.943687 C\n0.865082 0.693725 0.556312 C\n0.223948 0.407793 0.064549 C\n0.729231 0.729231 0.250000 Br\n0.270770 0.270770 0.750000 Br\n0.937654 0.251086 0.274053 O\n0.801558 0.835094 0.595670 O\n0.835094 0.801558 0.904330 O\n0.198443 0.164907 0.404330 O\n0.164907 0.198443 0.095670 O\n0.062346 0.748914 0.725947 O\n0.748915 0.062346 0.774053 O\n0.251086 0.937654 0.225947 O\n",
"nsites": 68,
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"elements": [
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],
"chemical_system": "Br-C-H-Li-O",
"density": 1.51127347133743,
"density_atomic": 0.11585642638142672,
"volume": 586.9333460720421,
"volume_molar": 5.1979341570347515,
"formula_full": "Li2 H40 C16 Br2 O8",
"formula_reduced": "LiH20C8BrO4",
"formula_anonymous": "ABC4D8E20",
"energy_above_hull": 4.16607847367647,
"spacegroup": 15
},
{
"id": "jvasp-45963",
"created_at": "2022-09-04T14:38:04.932949Z",
"updated_at": "2022-09-04T14:38:04.932972Z",
"structure_string": "Li2 Ge2 P2 C2 O14\n1.0\n0.000000 5.030571 -0.055922\n6.214715 0.000000 0.000000\n0.000000 -0.583514 -8.499137\nLi Ge P C O\n2 2 2 2 14\ndirect\n0.776090 0.466363 0.179960 Li\n0.223911 0.966363 0.820040 Li\n0.213885 0.252500 0.337633 Ge\n0.786116 0.752500 0.662367 Ge\n0.271439 0.757555 0.428555 P\n0.728562 0.257555 0.571445 P\n0.286101 0.249928 0.062911 C\n0.713900 0.749927 0.937089 C\n0.524024 0.767223 0.819815 O\n0.796710 0.452496 0.675538 O\n0.811544 0.061120 0.671620 O\n0.127776 0.764766 0.584451 O\n0.423367 0.250687 0.525788 O\n0.576633 0.750686 0.474213 O\n0.475976 0.267223 0.180185 O\n0.188456 0.561120 0.328381 O\n0.203290 0.952496 0.324462 O\n0.952014 0.757770 0.876111 O\n0.047987 0.257770 0.123889 O\n0.670925 0.721739 0.076154 O\n0.872224 0.264766 0.415550 O\n0.329076 0.221740 0.923847 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.08273285683872127,
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"formula_full": "Li2 Ge2 P2 C2 O14",
"formula_reduced": "LiGePCO7",
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"spacegroup": 4
},
{
"id": "jvasp-25774",
"created_at": "2022-09-04T14:38:00.533580Z",
"updated_at": "2022-09-04T14:38:00.533607Z",
"structure_string": "Li8 Ga6 Si6 Br2 O24\n1.0\n8.595617 0.000000 0.000000\n-0.000000 8.595617 -0.000000\n-0.000000 0.000000 8.595617\nLi Ga Si Br O\n8 6 6 2 24\ndirect\n0.323225 0.323225 0.676775 Li\n0.176775 0.823226 0.823226 Li\n0.323225 0.676775 0.323225 Li\n0.823226 0.176775 0.823226 Li\n0.176775 0.176775 0.176775 Li\n0.676775 0.676775 0.676775 Li\n0.676775 0.323225 0.323225 Li\n0.823226 0.823226 0.176775 Li\n0.750000 0.500000 0.000000 Ga\n0.000000 0.250000 0.500000 Ga\n0.500000 0.000000 0.250000 Ga\n0.000000 0.750000 0.500000 Ga\n0.250000 0.500000 0.000000 Ga\n0.500000 0.000000 0.750000 Ga\n0.750000 0.000000 0.500000 Si\n0.250000 0.000000 0.500000 Si\n0.000000 0.500000 0.750000 Si\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Br\n0.645955 0.900474 0.626538 O\n0.626538 0.354045 0.099526 O\n0.873462 0.400474 0.854046 O\n0.099526 0.626538 0.354045 O\n0.354045 0.099526 0.626538 O\n0.126538 0.400474 0.145955 O\n0.626538 0.645955 0.900474 O\n0.126538 0.599526 0.854046 O\n0.373462 0.645955 0.099526 O\n0.145955 0.873462 0.599526 O\n0.873462 0.599526 0.145955 O\n0.900474 0.626538 0.645955 O\n0.145955 0.126538 0.400474 O\n0.599526 0.854046 0.126538 O\n0.354045 0.900474 0.373462 O\n0.373462 0.354045 0.900474 O\n0.645955 0.099526 0.373462 O\n0.400474 0.145955 0.126538 O\n0.854046 0.873462 0.400474 O\n0.099526 0.373462 0.645955 O\n0.400474 0.854046 0.873462 O\n0.900474 0.373462 0.354045 O\n0.599526 0.145955 0.873462 O\n0.854046 0.126538 0.599526 O\n",
"nsites": 46,
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"elements": [
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],
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"density": 3.10145737564031,
"density_atomic": 0.07243136392209956,
"volume": 635.083995511576,
"volume_molar": 8.314272207378085,
"formula_full": "Li8 Ga6 Si6 Br2 O24",
"formula_reduced": "Li4Ga3Si3BrO12",
"formula_anonymous": "AB3C3D4E12",
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"spacegroup": 218
},
{
"id": "jvasp-45911",
"created_at": "2022-09-04T14:38:10.897092Z",
"updated_at": "2022-09-04T14:38:10.897115Z",
"structure_string": "Li4 Fe2 Te1 W1 O12\n1.0\n5.002431 -0.002824 -0.002110\n0.000226 5.246881 -0.018991\n0.007384 0.506815 7.233771\nLi Fe Te W O\n4 2 1 1 12\ndirect\n0.994291 0.423141 0.717507 Li\n0.505271 0.932275 0.210386 Li\n0.001828 0.428950 0.210262 Li\n0.498171 0.927466 0.717401 Li\n0.999800 0.000559 0.497745 Fe\n0.499464 0.497244 0.001040 Fe\n0.499289 0.498804 0.499247 Te\n0.000104 0.995864 0.997153 W\n0.311710 0.203678 0.063667 O\n0.168207 0.325551 0.442101 O\n0.806734 0.319289 0.949670 O\n0.366622 0.519791 0.756188 O\n0.634028 0.521821 0.246679 O\n0.884794 0.009952 0.258273 O\n0.812135 0.701181 0.575903 O\n0.682662 0.815473 0.948505 O\n0.120246 0.014922 0.749505 O\n0.697945 0.192294 0.579660 O\n0.197906 0.695859 0.065869 O\n0.318787 0.833497 0.442034 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.621163430195798,
"density_atomic": 0.105310724759948,
"volume": 189.91418058881732,
"volume_molar": 5.718449639129587,
"formula_full": "Li4 Fe2 Te1 W1 O12",
"formula_reduced": "Li4Fe2TeWO12",
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},
{
"id": "jvasp-44509",
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