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{
"id": "jvasp-117453",
"created_at": "2022-09-04T14:38:39.384888Z",
"updated_at": "2022-09-04T14:38:39.384911Z",
"structure_string": "Li6 V2 Si2 O10\n1.0\n4.893086 0.010804 1.223578\n1.326068 5.439422 1.412830\n0.012683 0.027984 6.184203\nLi V Si O\n6 2 2 10\ndirect\n0.514542 0.240013 0.995013 Li\n0.310619 0.446841 0.397450 Li\n0.319758 0.948064 0.392904 Li\n0.680243 0.051934 0.607096 Li\n0.689382 0.553157 0.602550 Li\n0.485460 0.759985 0.004987 Li\n0.905400 0.352569 0.207532 V\n0.094601 0.647429 0.792468 V\n0.102294 0.146618 0.782598 Si\n0.897707 0.853380 0.217402 Si\n0.351186 0.329480 0.718911 O\n0.645629 0.121217 0.286084 O\n0.648816 0.670519 0.281089 O\n0.160628 0.044152 0.093710 O\n0.001019 0.756514 0.483079 O\n0.167801 0.584702 0.111651 O\n0.832200 0.415297 0.888349 O\n0.998983 0.243485 0.516921 O\n0.839373 0.955846 0.906290 O\n0.354372 0.878781 0.713915 O\n",
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{
"id": "jvasp-112453",
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"updated_at": "2022-09-04T14:38:40.307759Z",
"structure_string": "Li3 V3 Si6 O18\n1.0\n7.126753 0.019796 1.507421\n-0.363694 6.434512 -3.439408\n-0.078561 0.046013 7.023319\nLi V Si O\n3 3 6 18\ndirect\n0.241817 0.760446 0.376443 Li\n0.500000 0.500000 0.500000 Li\n0.758184 0.239553 0.623557 Li\n0.226202 0.741840 0.953249 V\n0.500000 0.500000 -0.000000 V\n0.773798 0.258160 0.046750 V\n0.830944 0.709669 0.760086 Si\n0.842429 0.754136 0.322347 Si\n0.386309 0.018050 0.795083 Si\n0.157571 0.245864 0.677652 Si\n0.169056 0.290331 0.239914 Si\n0.613692 0.981950 0.204917 Si\n0.726467 0.959805 0.375749 O\n0.829511 0.752043 0.553217 O\n0.764610 0.932258 0.976158 O\n0.673270 0.523682 0.755295 O\n0.561454 0.192172 0.852857 O\n0.716359 0.555620 0.163677 O\n0.579533 0.220630 0.282622 O\n0.273533 0.040195 0.624250 O\n0.170489 0.247957 0.446783 O\n0.283641 0.444380 0.836322 O\n0.438547 0.807828 0.147142 O\n0.326730 0.476318 0.244705 O\n0.235390 0.067741 0.023841 O\n0.963385 0.333799 0.227656 O\n0.036615 0.666201 0.772344 O\n0.057426 0.770766 0.219315 O\n0.420468 0.779370 0.717378 O\n0.942574 0.229234 0.780685 O\n",
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"formula_full": "Li3 V3 Si6 O18",
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},
{
"id": "jvasp-47594",
"created_at": "2022-09-04T14:38:11.603394Z",
"updated_at": "2022-09-04T14:38:11.603422Z",
"structure_string": "Li4 V3 Si1 O10\n1.0\n5.077964 0.018410 0.009669\n0.008896 6.014730 0.011295\n-2.518573 -0.059584 7.711640\nLi V Si O\n4 3 1 10\ndirect\n0.020759 0.345540 0.889209 Li\n0.628755 0.356391 0.125609 Li\n0.136546 0.659790 0.113270 Li\n0.523249 0.654031 0.899509 Li\n0.438247 0.158711 0.721714 V\n0.207257 0.158731 0.283818 V\n0.931039 0.834163 0.705736 V\n0.708867 0.845605 0.276542 Si\n0.767313 0.765846 0.479281 O\n0.887212 0.652563 0.858213 O\n0.528894 0.665446 0.140729 O\n0.025440 0.347845 0.133416 O\n0.806235 0.108635 0.749865 O\n0.256680 0.239996 0.502445 O\n0.549287 0.093781 0.252190 O\n0.298255 0.882012 0.749367 O\n0.397947 0.341486 0.876663 O\n0.012023 0.889434 0.242420 O\n",
"nsites": 18,
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"elements": [
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"volume": 235.68149707433724,
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"formula_full": "Li4 V3 Si1 O10",
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"formula_anonymous": "AB3C4D10",
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{
"id": "jvasp-45835",
"created_at": "2022-09-04T14:38:01.454968Z",
"updated_at": "2022-09-04T14:38:01.454979Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n7.226637 -0.000000 0.000000\n0.000000 7.226637 0.000000\n0.000000 0.000000 7.226637\nLi V Si O\n4 4 4 16\ndirect\n0.250965 0.249035 0.750965 Li\n0.750965 0.250965 0.249035 Li\n0.749035 0.749035 0.749035 Li\n0.249035 0.750965 0.250965 Li\n0.808293 0.191708 0.691708 V\n0.308292 0.308292 0.308292 V\n0.191708 0.691708 0.808293 V\n0.691708 0.808293 0.191708 V\n0.967658 0.532342 0.467658 Si\n0.532342 0.467658 0.967658 Si\n0.467658 0.967658 0.532342 Si\n0.032342 0.032342 0.032342 Si\n0.115891 0.819199 0.029512 O\n0.470488 0.884109 0.319199 O\n0.970488 0.615892 0.680801 O\n0.615892 0.680801 0.970488 O\n0.838672 0.661329 0.338671 O\n0.319199 0.470488 0.884109 O\n0.180801 0.529512 0.384109 O\n0.161329 0.161329 0.161329 O\n0.884109 0.319199 0.470488 O\n0.529512 0.384109 0.180801 O\n0.029512 0.115891 0.819199 O\n0.384109 0.180801 0.529512 O\n0.338671 0.838672 0.661329 O\n0.680801 0.970488 0.615892 O\n0.661329 0.338671 0.838672 O\n0.819199 0.029512 0.115891 O\n",
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"formula_full": "Li4 V4 Si4 O16",
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},
{
"id": "jvasp-116883",
"created_at": "2022-09-04T14:38:44.826700Z",
"updated_at": "2022-09-04T14:38:44.826725Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n5.782074 -0.063117 0.247162\n1.020904 6.160308 1.474202\n-0.204495 -0.133242 9.336016\nLi V Si O\n4 4 4 16\ndirect\n0.592886 0.877744 0.751827 Li\n0.440557 0.661782 0.331174 Li\n0.559441 0.338218 0.668826 Li\n0.407112 0.122257 0.248173 Li\n0.986041 0.927642 0.294353 V\n0.813195 0.635550 0.076577 V\n0.186803 0.364450 0.923423 V\n0.013957 0.072358 0.705648 V\n0.847392 0.290712 0.382148 Si\n0.714897 0.167227 0.992662 Si\n0.285101 0.832773 0.007338 Si\n0.152606 0.709288 0.617852 Si\n0.103541 0.182452 0.326833 O\n0.186127 0.059982 0.890183 O\n0.885158 0.347391 0.009774 O\n0.839516 0.302110 0.555883 O\n0.710739 0.138291 0.824207 O\n0.247399 0.464215 0.716575 O\n0.752598 0.535785 0.283425 O\n0.304363 0.892258 0.650090 O\n0.160482 0.697890 0.444117 O\n0.114840 0.652609 0.990226 O\n0.813871 0.940018 0.109817 O\n0.896457 0.817548 0.673167 O\n0.695635 0.107743 0.349910 O\n0.544505 0.733624 0.955785 O\n0.289259 0.861709 0.175793 O\n0.455493 0.266377 0.044216 O\n",
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"formula_full": "Li4 V4 Si4 O16",
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"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-11689",
"created_at": "2022-09-04T14:38:11.768708Z",
"updated_at": "2022-09-04T14:38:11.768737Z",
"structure_string": "Li4 V2 Si2 O10\n1.0\n6.387215 0.000000 0.000000\n0.000000 6.387215 -0.000000\n0.000000 0.000000 4.467036\nLi V Si O\n4 2 2 10\ndirect\n0.749999 0.749999 0.000000 Li\n0.250000 0.749999 0.000000 Li\n0.749999 0.250000 0.000000 Li\n0.250000 0.250000 0.000000 Li\n0.000000 0.500000 0.413565 V\n0.500000 0.000000 0.586436 V\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.293608 0.500000 0.278913 O\n0.706392 0.500000 0.278913 O\n0.206392 0.000000 0.721088 O\n0.500000 0.293608 0.721088 O\n0.500000 0.000000 0.214738 O\n0.793607 0.000000 0.721088 O\n0.000000 0.500000 0.785262 O\n0.000000 0.793607 0.278913 O\n0.500000 0.706392 0.721088 O\n0.000000 0.206392 0.278913 O\n",
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"formula_full": "Li4 V2 Si2 O10",
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{
"id": "jvasp-43000",
"created_at": "2022-09-04T14:38:13.540469Z",
"updated_at": "2022-09-04T14:38:13.540478Z",
"structure_string": "Li2 V2 Si2 O10\n1.0\n0.000000 4.584665 0.056667\n6.229963 0.000000 0.000000\n0.000000 -0.355036 -6.401064\nLi V Si O\n2 2 2 10\ndirect\n0.499999 0.000000 0.499999 Li\n0.499999 0.500000 0.499999 Li\n0.892537 0.750000 0.244779 V\n0.107461 0.250000 0.755220 V\n0.983772 0.250000 0.254985 Si\n0.016226 0.750000 0.745014 Si\n0.150121 0.250000 0.035421 O\n0.246138 0.750000 0.295762 O\n0.773115 0.464213 0.265140 O\n0.773115 0.035787 0.265140 O\n0.229905 0.250000 0.451769 O\n0.770093 0.750000 0.548229 O\n0.226883 0.964213 0.734859 O\n0.226883 0.535786 0.734859 O\n0.753860 0.250000 0.704237 O\n0.849877 0.750000 0.964578 O\n",
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"formula_full": "Li2 V2 Si2 O10",
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"spacegroup": 11
},
{
"id": "jvasp-97999",
"created_at": "2022-09-04T14:35:58.710572Z",
"updated_at": "2022-09-04T14:35:58.710589Z",
"structure_string": "Li2 V2 Si4 O12\n1.0\n5.130725 0.002956 1.367391\n1.528511 6.287573 0.768923\n0.000478 0.035224 6.516132\nLi V Si O\n2 2 4 12\ndirect\n0.749998 0.263330 0.736662 Li\n0.249999 0.736662 0.263330 Li\n0.750005 0.910091 0.089913 V\n0.250003 0.089913 0.910091 V\n0.770003 0.794483 0.609625 Si\n0.229991 0.205516 0.390376 Si\n0.270002 0.609625 0.794482 Si\n0.729991 0.390378 0.205517 Si\n0.063219 0.648876 0.637480 O\n0.563219 0.637480 0.648875 O\n0.936754 0.351105 0.362540 O\n0.171952 0.107681 0.632410 O\n0.845743 0.207662 0.027866 O\n0.154259 0.792338 0.972136 O\n0.328073 0.367588 0.892311 O\n0.828075 0.892312 0.367588 O\n0.671953 0.632411 0.107682 O\n0.345746 0.027866 0.207659 O\n0.436755 0.362540 0.351106 O\n0.654258 0.972135 0.792339 O\n",
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"formula_full": "Li2 V2 Si4 O12",
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"spacegroup": 15
},
{
"id": "jvasp-46833",
"created_at": "2022-09-04T14:38:31.689159Z",
"updated_at": "2022-09-04T14:38:31.689180Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n0.000000 6.007370 0.000075\n4.777976 0.000000 0.000000\n0.000000 -0.001973 -10.126922\nLi V Si O\n4 4 4 16\ndirect\n0.006429 0.727087 0.784505 Li\n0.006429 0.272913 0.284505 Li\n0.506637 0.227100 0.715493 Li\n0.506636 0.772901 0.215493 Li\n0.256528 0.750012 0.499999 V\n0.256528 0.249989 0.999999 V\n0.756530 0.249989 -0.000001 V\n0.756530 0.750011 0.499998 V\n0.006571 0.828915 0.093617 Si\n0.006571 0.171086 0.593616 Si\n0.506487 0.328935 0.406383 Si\n0.506487 0.671065 0.906383 Si\n0.232848 0.975017 0.152466 O\n0.506511 0.984022 0.415669 O\n0.506511 0.015979 0.915669 O\n0.232848 0.024984 0.652466 O\n0.780365 0.024955 0.652493 O\n0.006501 0.014140 0.442193 O\n0.506557 0.485884 0.557806 O\n0.280210 0.524965 0.847533 O\n0.732692 0.475063 0.347504 O\n0.006547 0.484000 0.084331 O\n0.006547 0.516001 0.584331 O\n0.732692 0.524938 0.847504 O\n0.780365 0.975046 0.152493 O\n0.506557 0.514117 0.057806 O\n0.280210 0.475035 0.347533 O\n0.006501 0.985860 0.942193 O\n",
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"density_atomic": 0.09632792873807039,
"volume": 290.67374713449993,
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"formula_full": "Li4 V4 Si4 O16",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-52335",
"created_at": "2022-09-04T14:37:13.686647Z",
"updated_at": "2022-09-04T14:37:13.686663Z",
"structure_string": "Li4 Ti4 Si4 O16\n1.0\n0.000000 4.774897 -0.002056\n10.306817 0.000000 0.000000\n0.000000 -0.002289 -5.887624\nLi Ti Si O\n4 4 4 16\ndirect\n0.750014 0.703010 0.250089 Li\n0.250031 0.202905 0.249965 Li\n0.749969 0.702905 0.750035 Li\n0.249986 0.203010 0.749911 Li\n0.746845 0.976457 0.999978 Ti\n0.246838 0.929408 0.499991 Ti\n0.753162 0.429408 0.500009 Ti\n0.253155 0.476457 0.000022 Ti\n0.807964 0.295673 0.000007 Si\n0.307960 0.610184 0.500012 Si\n0.692041 0.110184 0.499988 Si\n0.192037 0.795673 -0.000006 Si\n0.039106 0.875478 0.785114 O\n0.960911 0.375473 0.785122 O\n0.460899 0.530385 0.714893 O\n0.555386 0.255999 0.500012 O\n0.968931 0.605626 0.500041 O\n0.539116 0.030375 0.714868 O\n0.460884 0.530375 0.285132 O\n0.531062 0.800249 0.000004 O\n0.444614 0.755999 0.499988 O\n0.539102 0.030385 0.285107 O\n0.039090 0.875473 0.214878 O\n0.960895 0.375478 0.214886 O\n0.468938 0.300249 -0.000004 O\n0.055391 0.649860 0.000005 O\n0.031069 0.105626 0.499959 O\n0.944609 0.149860 -0.000005 O\n",
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"volume": 289.7535146506328,
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"formula_full": "Li4 Ti4 Si4 O16",
"formula_reduced": "LiTiSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-9783",
"created_at": "2022-09-04T14:37:08.650907Z",
"updated_at": "2022-09-04T14:37:08.650931Z",
"structure_string": "Li4 Ti2 Si2 O10\n1.0\n6.481671 0.000000 0.000000\n0.000000 6.481671 -0.000000\n0.000000 -0.000000 4.400459\nLi Ti Si O\n4 2 2 10\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.000000 0.500000 0.900099 Ti\n0.500000 0.000000 0.099901 Ti\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.794730 0.000000 0.219944 O\n0.500000 0.705270 0.219944 O\n0.500000 0.294730 0.219944 O\n0.205270 0.000000 0.219944 O\n0.000000 0.500000 0.292576 O\n0.000000 0.794730 0.780056 O\n0.500000 0.000000 0.707424 O\n0.294730 0.500000 0.780056 O\n0.000000 0.205270 0.780056 O\n0.705270 0.500000 0.780056 O\n",
"nsites": 18,
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"elements": [
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],
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"volume": 184.87234292491948,
"volume_molar": 6.1851515095825285,
"formula_full": "Li4 Ti2 Si2 O10",
"formula_reduced": "Li2TiSiO5",
"formula_anonymous": "ABC2D5",
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},
{
"id": "jvasp-58270",
"created_at": "2022-09-04T14:37:18.816548Z",
"updated_at": "2022-09-04T14:37:18.816579Z",
"structure_string": "Li2 Ti2 Si4 O12\n1.0\n5.140040 0.011702 1.349932\n1.507486 6.356445 0.789669\n0.001168 0.118806 6.579239\nLi Ti Si O\n2 2 4 12\ndirect\n0.750000 0.267028 0.732973 Li\n0.250000 0.732973 0.267027 Li\n0.250000 0.086824 0.913176 Ti\n0.750000 0.913177 0.086824 Ti\n0.221393 0.204050 0.391429 Si\n0.278608 0.608572 0.795950 Si\n0.778608 0.795951 0.608571 Si\n0.721393 0.391429 0.204049 Si\n0.169700 0.110747 0.634565 O\n0.330302 0.365436 0.889254 O\n0.425603 0.364361 0.344701 O\n0.074398 0.655300 0.635639 O\n0.836880 0.215746 0.026333 O\n0.574398 0.635640 0.655299 O\n0.163120 0.784255 0.973667 O\n0.336880 0.026333 0.215745 O\n0.669700 0.634565 0.110746 O\n0.830301 0.889254 0.365435 O\n0.925603 0.344701 0.364361 O\n0.663121 0.973668 0.784254 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Ti",
"density": 3.20318865218138,
"density_atomic": 0.09319973750956481,
"volume": 214.592879061998,
"volume_molar": 6.4615426190250425,
"formula_full": "Li2 Ti2 Si4 O12",
"formula_reduced": "LiTi(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.735453653333334,
"spacegroup": 15
}
]
}