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"results": [
{
"id": "jvasp-25369",
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"structure_string": "Si46\n1.0\n10.274140 0.000000 0.000000\n-0.000000 10.274140 0.000000\n-0.000000 0.000000 10.274140\nSi\n46\ndirect\n0.000000 0.882935 0.308121 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.816346 0.816346 0.816346 Si\n0.183654 0.183654 0.183654 Si\n0.183654 0.183654 0.816346 Si\n0.183654 0.816346 0.183654 Si\n0.316346 0.316346 0.683654 Si\n0.816346 0.816346 0.183654 Si\n0.816346 0.183654 0.816346 Si\n0.683654 0.683654 0.316346 Si\n0.816346 0.183654 0.183654 Si\n0.683654 0.683654 0.683654 Si\n0.183654 0.816346 0.816346 Si\n0.316346 0.316346 0.316346 Si\n0.316346 0.683654 0.316346 Si\n0.683654 0.316346 0.683654 Si\n0.250000 0.500000 0.000000 Si\n0.808121 0.382935 0.500000 Si\n0.191879 0.617065 0.500000 Si\n0.808121 0.617065 0.500000 Si\n0.000000 0.117065 0.691879 Si\n0.000000 0.117065 0.308121 Si\n0.000000 0.882935 0.691879 Si\n0.308121 0.000000 0.882935 Si\n0.382935 0.500000 0.191879 Si\n0.691879 0.000000 0.117065 Si\n0.617065 0.500000 0.808121 Si\n0.308121 0.000000 0.117065 Si\n0.617065 0.500000 0.191879 Si\n0.683654 0.316346 0.316346 Si\n0.691879 0.000000 0.882935 Si\n0.882935 0.308121 0.000000 Si\n0.500000 0.808121 0.617065 Si\n0.117065 0.691879 0.000000 Si\n0.500000 0.191879 0.382935 Si\n0.882935 0.691879 0.000000 Si\n0.500000 0.191879 0.617065 Si\n0.117065 0.308121 0.000000 Si\n0.500000 0.808121 0.382935 Si\n0.191879 0.382935 0.500000 Si\n0.382935 0.500000 0.808121 Si\n0.316346 0.683654 0.683654 Si\n",
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{
"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",
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"formula_full": "Li8 Ga6 Si6 Br2 O24",
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{
"id": "jvasp-20860",
"created_at": "2022-09-04T14:38:34.378161Z",
"updated_at": "2022-09-04T14:38:34.378190Z",
"structure_string": "Li20 Zn8 O18\n1.0\n9.745060 0.000000 0.000000\n0.000000 9.745060 0.000000\n-0.000000 0.000000 4.649497\nLi Zn O\n20 8 18\ndirect\n0.143717 0.687442 0.787371 Li\n0.356283 0.812558 0.712630 Li\n0.643717 0.187442 0.712630 Li\n0.000000 0.500000 0.323769 Li\n0.000000 0.500000 0.823769 Li\n0.500000 0.000000 0.176232 Li\n0.500000 0.000000 0.676232 Li\n0.187442 0.643717 0.287371 Li\n0.143717 0.312558 0.787371 Li\n0.812558 0.356283 0.287371 Li\n0.856283 0.687442 0.787371 Li\n0.687442 0.856283 0.212629 Li\n0.312558 0.856283 0.212629 Li\n0.356283 0.187442 0.712630 Li\n0.643717 0.812558 0.712630 Li\n0.687442 0.143717 0.212629 Li\n0.187442 0.356283 0.287371 Li\n0.812558 0.643717 0.287371 Li\n0.856283 0.312558 0.787371 Li\n0.312558 0.143717 0.212629 Li\n0.662828 0.500000 0.767615 Zn\n0.000000 0.837172 0.267615 Zn\n0.337172 0.500000 0.767615 Zn\n0.000000 0.162828 0.267615 Zn\n0.500000 0.662828 0.232385 Zn\n0.837172 0.000000 0.732386 Zn\n0.162828 0.000000 0.732386 Zn\n0.500000 0.337172 0.232385 Zn\n0.174587 0.825413 0.500000 O\n0.500000 0.843320 0.435710 O\n0.343320 0.000000 0.935711 O\n0.656680 0.000000 0.935711 O\n0.500000 0.156680 0.435710 O\n0.000000 0.343320 0.064290 O\n0.000000 0.656680 0.064290 O\n0.843320 0.500000 0.564290 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.674587 0.325413 0.000000 O\n0.825413 0.825413 0.500000 O\n0.174587 0.174587 0.500000 O\n0.325413 0.674587 0.000000 O\n0.825413 0.174587 0.500000 O\n0.674587 0.674587 0.000000 O\n0.156680 0.500000 0.564290 O\n0.325413 0.325413 0.000000 O\n",
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],
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"density_atomic": 0.10417963344963094,
"volume": 441.54503598095505,
"volume_molar": 5.780535562079514,
"formula_full": "Li20 Zn8 O18",
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},
{
"id": "jvasp-24285",
"created_at": "2022-09-04T14:38:16.942440Z",
"updated_at": "2022-09-04T14:38:16.942457Z",
"structure_string": "Na8 Al6 Ge6 Cl2 O24\n1.0\n9.097475 -0.000000 0.000000\n0.000000 9.097475 0.000000\n0.000000 -0.000000 9.097475\nNa Al Ge Cl O\n8 6 6 2 24\ndirect\n0.171253 0.828746 0.828746 Na\n0.328747 0.671253 0.328747 Na\n0.671253 0.328747 0.328747 Na\n0.828746 0.171253 0.828746 Na\n0.328747 0.328747 0.671253 Na\n0.671253 0.671253 0.671253 Na\n0.171253 0.171253 0.171253 Na\n0.828746 0.828746 0.171253 Na\n0.250000 0.000000 0.500000 Al\n0.500000 0.250000 0.000000 Al\n0.750000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.750000 0.000000 Al\n0.000000 0.250000 0.500000 Ge\n0.000000 0.750000 0.500000 Ge\n0.250000 0.500000 0.000000 Ge\n0.750000 0.500000 0.000000 Ge\n0.500000 0.000000 0.250000 Ge\n0.500000 0.000000 0.750000 Ge\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.857354 0.422817 0.857275 O\n0.142724 0.142645 0.422817 O\n0.142645 0.577182 0.857275 O\n0.922817 0.642645 0.642724 O\n0.077183 0.357355 0.642724 O\n0.357276 0.077183 0.642645 O\n0.142645 0.422817 0.142724 O\n0.857275 0.142645 0.577182 O\n0.422817 0.142724 0.142645 O\n0.922817 0.357355 0.357276 O\n0.857354 0.577182 0.142724 O\n0.642724 0.922817 0.642645 O\n0.357276 0.922817 0.357355 O\n0.642645 0.642724 0.922817 O\n0.422817 0.857275 0.857354 O\n0.857275 0.857354 0.422817 O\n0.642724 0.077183 0.357355 O\n0.642645 0.357276 0.077183 O\n0.577182 0.857275 0.142645 O\n0.142724 0.857354 0.577182 O\n0.577182 0.142724 0.857354 O\n0.077183 0.642645 0.357276 O\n0.357355 0.642724 0.077183 O\n0.357355 0.357276 0.922817 O\n",
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"formula_full": "Na8 Al6 Ge6 Cl2 O24",
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{
"id": "jvasp-97442",
"created_at": "2022-09-04T14:35:57.457844Z",
"updated_at": "2022-09-04T14:35:57.457867Z",
"structure_string": "K4 Nd2 P10 O30\n1.0\n7.139993 0.062743 -0.048993\n-2.229532 6.783261 -0.048993\n0.001858 0.002590 13.275479\nK Nd P O\n4 2 10 30\ndirect\n0.446302 0.196282 0.944767 K\n0.297986 0.687701 0.747480 K\n0.196282 0.446302 0.444767 K\n0.687701 0.297986 0.247480 K\n0.903354 0.097216 0.748170 Nd\n0.097217 0.903354 0.248170 Nd\n0.995130 0.385684 0.993686 P\n0.040289 0.814605 0.968223 P\n0.558598 0.806852 0.156787 P\n0.806852 0.558598 0.656787 P\n0.237455 0.435501 0.175752 P\n0.814604 0.040288 0.468223 P\n0.435502 0.237454 0.675752 P\n0.610705 0.756608 0.938965 P\n0.385684 0.995130 0.493686 P\n0.756608 0.610704 0.438965 P\n0.476576 0.562259 0.907548 O\n0.560218 0.117334 0.713574 O\n0.914874 0.440918 0.712576 O\n0.131968 0.923975 0.062131 O\n0.092436 0.612161 0.960442 O\n0.361859 0.177058 0.562355 O\n0.729501 0.808321 0.483233 O\n0.530377 0.843289 0.038556 O\n0.612161 0.092436 0.460442 O\n0.923975 0.131967 0.562131 O\n0.921493 0.650835 0.364512 O\n0.843289 0.530377 0.538556 O\n-0.004708 0.265875 0.901322 O\n0.562260 0.476575 0.407548 O\n0.349640 0.811887 0.553267 O\n0.465616 0.569354 0.165311 O\n0.440918 0.914874 0.212576 O\n0.650836 0.921493 0.864512 O\n0.245675 0.258418 0.233480 O\n0.852066 0.770877 0.684292 O\n0.811887 0.349639 0.053267 O\n0.117334 0.560218 0.213574 O\n0.808321 0.729500 0.983233 O\n0.177058 0.361859 0.062355 O\n0.569354 0.465616 0.665311 O\n0.092394 0.913782 0.868378 O\n0.913781 0.092393 0.368378 O\n0.770878 0.852066 0.184292 O\n0.265875 -0.004708 0.401322 O\n0.258419 0.245675 0.733480 O\n",
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"formula_full": "K4 Nd2 P10 O30",
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{
"id": "jvasp-96803",
"created_at": "2022-09-04T14:35:56.817154Z",
"updated_at": "2022-09-04T14:35:56.817186Z",
"structure_string": "K1 Ca12 Si4 S2 O26 F1\n1.0\n6.965786 -0.007571 12.523336\n3.242685 6.165001 12.523336\n-0.012552 -0.007571 14.330247\nK Ca Si S O F\n1 12 4 2 26 1\ndirect\n0.000000 0.000000 0.000000 K\n0.555474 0.083069 0.555473 Ca\n0.688102 0.225025 0.688102 Ca\n0.555473 0.555473 0.083069 Ca\n0.225024 0.688102 0.688103 Ca\n0.774976 0.311898 0.311898 Ca\n0.916931 0.444527 0.444527 Ca\n0.083069 0.555473 0.555474 Ca\n0.444527 0.444527 0.916931 Ca\n0.311898 0.774975 0.311899 Ca\n0.688102 0.688102 0.225025 Ca\n0.311898 0.311898 0.774976 Ca\n0.444527 0.916931 0.444528 Ca\n0.204047 0.204047 0.204047 Si\n0.917615 0.917615 0.917615 Si\n0.795953 0.795953 0.795953 Si\n0.082385 0.082385 0.082385 Si\n0.676432 0.676432 0.676432 S\n0.323568 0.323568 0.323568 S\n0.431747 0.431747 0.431748 O\n0.244805 0.244805 0.244805 O\n0.681849 0.681849 0.060574 O\n0.640016 0.640016 0.640016 O\n0.123098 0.123098 0.123098 O\n0.181770 0.800685 0.800686 O\n0.800685 0.800685 0.181770 O\n0.800639 0.465132 0.800639 O\n0.755195 0.755195 0.755195 O\n0.359984 0.359984 0.359984 O\n0.318150 0.939427 0.318152 O\n0.199315 0.199315 0.818230 O\n0.568253 0.568253 0.568253 O\n0.465132 0.800639 0.800640 O\n0.199315 0.818230 0.199316 O\n0.681850 0.060573 0.681849 O\n0.199361 0.534868 0.199361 O\n0.939427 0.318151 0.318151 O\n0.818230 0.199315 0.199315 O\n0.199361 0.199361 0.534868 O\n0.534868 0.199361 0.199361 O\n0.060573 0.681849 0.681850 O\n0.318151 0.318151 0.939427 O\n0.800639 0.800639 0.465133 O\n0.876902 0.876902 0.876903 O\n0.800685 0.181770 0.800685 O\n0.500000 0.500000 0.500000 F\n",
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"F"
],
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"formula_full": "K1 Ca12 Si4 S2 O26 F1",
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{
"id": "jvasp-98046",
"created_at": "2022-09-04T14:35:57.192737Z",
"updated_at": "2022-09-04T14:35:57.192760Z",
"structure_string": "Rb8 Zr6 Te32\n1.0\n11.074563 0.013943 -1.335587\n-4.800679 9.979960 -1.335587\n-0.006386 -0.010172 15.112276\nRb Zr Te\n8 6 32\ndirect\n0.747764 0.448985 0.429039 Rb\n0.551015 0.252236 0.070961 Rb\n0.252236 0.551015 0.570961 Rb\n0.448985 0.747764 0.929039 Rb\n0.245446 0.969844 0.368135 Rb\n0.030156 0.754554 0.131865 Rb\n0.754554 0.030156 0.631865 Rb\n0.969844 0.245446 0.868135 Rb\n0.106683 0.893317 0.750000 Zr\n0.893317 0.106683 0.250000 Zr\n0.432329 0.210162 0.728504 Zr\n0.567671 0.789837 0.271496 Zr\n0.210162 0.432329 0.228503 Zr\n0.789837 0.567671 0.771496 Zr\n0.402103 0.882077 0.159584 Te\n0.623618 0.081441 0.285506 Te\n0.081441 0.623618 0.785506 Te\n0.376382 0.918559 0.714494 Te\n0.117923 0.597897 0.340416 Te\n0.882076 0.402103 0.659584 Te\n0.168172 0.526719 0.055268 Te\n0.455849 0.575271 0.378602 Te\n0.424729 0.544151 0.121398 Te\n0.544150 0.424729 0.621398 Te\n0.575270 0.455849 0.878602 Te\n0.473281 0.831827 0.444732 Te\n0.918558 0.376382 0.214494 Te\n0.597897 0.117923 0.840416 Te\n0.637350 0.734078 0.741440 Te\n0.847619 0.911706 0.376125 Te\n0.362649 0.265922 0.258559 Te\n0.734078 0.637350 0.241440 Te\n0.911705 0.847619 0.876126 Te\n0.152381 0.088294 0.623874 Te\n0.088294 0.152381 0.123874 Te\n0.526718 0.168172 0.555268 Te\n0.198165 0.904818 0.946507 Te\n0.095181 0.801834 0.553493 Te\n0.801834 0.095182 0.053493 Te\n0.904818 0.198166 0.446506 Te\n0.249277 0.156411 0.875177 Te\n0.843589 0.750722 0.624822 Te\n0.750722 0.843589 0.124822 Te\n0.156410 0.249277 0.375177 Te\n0.265922 0.362650 0.758559 Te\n0.831827 0.473281 0.944732 Te\n",
"nsites": 46,
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"elements": [
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],
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"density": 5.281094978191493,
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"volume": 1670.9754728408698,
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"formula_full": "Rb8 Zr6 Te32",
"formula_reduced": "Rb4Zr3Te16",
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},
{
"id": "jvasp-60886",
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