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{
"id": "jvasp-10927",
"created_at": "2022-09-04T14:37:19.801849Z",
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"structure_string": "V2 Si4 O12\n1.0\n5.344930 0.027815 0.021166\n1.613858 6.261592 0.015585\n1.620669 0.208348 6.256543\nV Si O\n2 4 12\ndirect\n0.246309 0.100412 0.398603 V\n0.746300 0.899314 0.599700 V\n0.243777 0.213450 0.884357 Si\n0.748831 0.786268 0.113947 Si\n0.248829 0.614663 0.285558 Si\n0.743775 0.385061 0.712753 Si\n0.949176 0.349296 0.867496 O\n0.043424 0.650413 0.130820 O\n0.362562 0.043141 0.683777 O\n0.272987 0.377001 0.400610 O\n0.862551 0.184492 0.542430 O\n0.130055 0.815238 0.455873 O\n0.449176 0.368202 0.848600 O\n0.630049 0.956583 0.314523 O\n0.219617 0.098407 0.122015 O\n0.543427 0.631519 0.149707 O\n0.773004 0.901306 0.876286 O\n0.719618 0.622725 0.597710 O\n",
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{
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"structure_string": "V2 Si4 O12\n1.0\n6.248258 0.056398 -1.664147\n-0.256161 6.243260 1.664147\n0.015051 -0.014316 5.345103\nV Si O\n2 4 12\ndirect\n0.899452 0.899452 0.250000 V\n0.100548 0.100548 0.750000 V\n0.786392 0.385208 0.247466 Si\n0.614793 0.213608 0.747465 Si\n0.385208 0.786392 0.252534 Si\n0.213608 0.614792 0.752534 Si\n0.956708 0.184627 0.366244 O\n0.815373 0.043292 0.866244 O\n0.901449 0.622869 0.223290 O\n0.043293 0.815372 0.633755 O\n0.650513 0.368329 0.952883 O\n0.349487 0.631670 0.047116 O\n0.622869 0.901449 0.276710 O\n0.368330 0.650513 0.547116 O\n0.098551 0.377131 0.776710 O\n0.184627 0.956707 0.133756 O\n0.377131 0.098551 0.723289 O\n0.631670 0.349487 0.452883 O\n",
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{
"id": "jvasp-91450",
"created_at": "2022-09-04T14:36:12.370662Z",
"updated_at": "2022-09-04T14:36:12.370681Z",
"structure_string": "Li4 H12 C4 O12\n1.0\n4.799316 0.000000 0.000000\n0.000000 6.281612 0.000000\n0.000000 0.000000 9.939717\nLi H C O\n4 12 4 12\ndirect\n0.727067 0.384447 0.550898 Li\n0.227066 0.884447 0.949103 Li\n0.227066 0.615553 0.449103 Li\n0.727067 0.115553 0.050898 Li\n0.626003 0.395822 0.870815 H\n0.621612 0.658024 0.208916 H\n0.850983 0.479862 0.980571 H\n0.126003 0.604178 0.129186 H\n0.621612 0.841976 0.708917 H\n0.121612 0.158024 0.291084 H\n0.121612 0.341976 0.791084 H\n0.350982 0.979862 0.519429 H\n0.126003 0.895822 0.629186 H\n0.850983 0.020138 0.480571 H\n0.350982 0.520137 0.019429 H\n0.626003 0.104178 0.370815 H\n0.743958 0.611383 0.299089 C\n0.243957 0.388617 0.700911 C\n0.743958 0.888617 0.799089 C\n0.243957 0.111383 0.200911 C\n0.006404 0.903332 0.786207 O\n0.506404 0.096667 0.213794 O\n0.176178 0.896112 0.530675 O\n0.676179 0.396113 0.969325 O\n0.112999 0.421626 0.592428 O\n0.612999 0.578373 0.407572 O\n0.176178 0.603887 0.030675 O\n0.006404 0.596667 0.286206 O\n0.612999 0.921626 0.907572 O\n0.506404 0.403332 0.713794 O\n0.676179 0.103887 0.469325 O\n0.112999 0.078374 0.092428 O\n",
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{
"id": "jvasp-34154",
"created_at": "2022-09-04T14:37:19.974536Z",
"updated_at": "2022-09-04T14:37:19.974565Z",
"structure_string": "Y4 Si4 Rh2\n1.0\n4.109402 -0.000000 0.977175\n1.990167 5.285932 0.759979\n-0.000336 -0.005941 9.130824\nY Si Rh\n4 4 2\ndirect\n0.998398 0.327799 0.675403 Y\n0.815023 0.261602 0.108353 Y\n0.001601 0.672201 0.324596 Y\n0.184977 0.738398 0.891646 Y\n0.641602 0.282687 0.434108 Si\n0.512898 0.853890 0.120314 Si\n0.358397 0.717313 0.565891 Si\n0.487102 0.146109 0.879685 Si\n0.273791 0.079845 0.372572 Rh\n0.726208 0.920154 0.627428 Rh\n",
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{
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"structure_string": "Nb1 Cr3 Ag2 S8\n1.0\n6.952682 0.000000 0.000000\n0.000000 5.952995 0.359247\n0.000000 0.163548 6.445167\nNb Cr Ag S\n1 3 2 8\ndirect\n0.500000 0.000000 0.500000 Nb\n0.250988 0.500001 0.500000 Cr\n0.749011 0.500001 0.500000 Cr\n-0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n-0.000000 0.317997 0.700921 S\n0.500000 0.329238 0.718388 S\n0.242763 0.807106 0.719235 S\n0.757237 0.807106 0.719235 S\n0.242763 0.192895 0.280766 S\n0.757237 0.192895 0.280766 S\n0.500000 0.670763 0.281613 S\n-0.000000 0.682004 0.299080 S\n",
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"density_atomic": 0.05256195797409956,
"volume": 266.3523304611035,
"volume_molar": 11.457223041362866,
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{
"id": "jvasp-111981",
"created_at": "2022-09-04T14:38:45.024012Z",
"updated_at": "2022-09-04T14:38:45.024040Z",
"structure_string": "Li4 V2 As2 C2 O14\n1.0\n5.009046 -0.015142 -0.000001\n0.542236 8.596705 0.000072\n0.000014 0.000047 6.525696\nLi V As C O\n4 2 2 2 14\ndirect\n0.219730 0.207444 0.510356 Li\n0.219730 0.207443 0.989638 Li\n0.780279 0.792564 0.489640 Li\n0.780280 0.792563 0.010365 Li\n0.204541 0.667744 0.250000 V\n0.795460 0.332254 0.750001 V\n0.713029 0.415818 0.250000 As\n0.286973 0.584182 0.750000 As\n0.724827 0.048566 0.750001 C\n0.275172 0.951435 0.249999 C\n0.827161 0.306528 0.455151 O\n0.827144 0.306525 0.044852 O\n0.630877 0.554089 0.749993 O\n0.369120 0.445908 0.250008 O\n0.834489 0.600109 0.249990 O\n0.165510 0.399889 0.750010 O\n0.687473 0.904726 0.749999 O\n0.526508 0.157285 0.749997 O\n0.037273 0.895716 0.249993 O\n0.962726 0.104282 0.750008 O\n0.172838 0.693471 0.544850 O\n0.312524 0.095273 0.250001 O\n0.473491 0.842715 0.250003 O\n0.172856 0.693473 0.955149 O\n",
"nsites": 24,
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"elements": [
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"density_atomic": 0.08539148378295465,
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"formula_full": "Li4 V2 As2 C2 O14",
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},
{
"id": "jvasp-44487",
"created_at": "2022-09-04T14:37:29.117321Z",
"updated_at": "2022-09-04T14:37:29.117349Z",
"structure_string": "Li4 V2 As2 C2 O14\n1.0\n0.000000 5.011166 0.017022\n6.526315 0.000000 0.000000\n0.000000 -0.488936 -8.603267\nLi V As C O\n4 2 2 2 14\ndirect\n0.780411 0.489647 0.207378 Li\n0.780411 0.010352 0.207378 Li\n0.219589 0.510352 0.792623 Li\n0.219589 0.989647 0.792623 Li\n0.204544 0.250000 0.332315 V\n0.795456 0.749999 0.667685 V\n0.286857 0.749999 0.415914 As\n0.713143 0.250000 0.584087 As\n0.275042 0.250000 0.048701 C\n0.724959 0.749999 0.951300 C\n0.526676 0.749999 0.842629 O\n0.827205 0.044863 0.693363 O\n0.827205 0.455136 0.693363 O\n0.165386 0.749999 0.600109 O\n0.369363 0.250000 0.554005 O\n0.630637 0.749999 0.445995 O\n0.037263 0.250000 0.104423 O\n0.172795 0.544863 0.306638 O\n0.172795 0.955136 0.306638 O\n0.473325 0.250000 0.157372 O\n0.962737 0.749999 0.895578 O\n0.687721 0.749999 0.095097 O\n0.834614 0.250000 0.399892 O\n0.312280 0.250000 0.904904 O\n",
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"elements": [
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"volume": 281.31078044049343,
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"formula_full": "Li4 V2 As2 C2 O14",
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},
{
"id": "jvasp-59617",
"created_at": "2022-09-04T14:37:19.671216Z",
"updated_at": "2022-09-04T14:37:19.671241Z",
"structure_string": "Nd4 Ru4 O14\n1.0\n6.368997 -0.000000 3.677142\n2.122999 6.004748 3.677142\n-0.000000 -0.000000 7.354283\nNd Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.499999 Nd\n-0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 -0.000000 Nd\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 -0.000000 Ru\n-0.000000 0.500000 -0.000000 Ru\n0.671395 0.078605 0.078605 O\n0.078605 0.078605 0.671395 O\n0.671395 0.671395 0.078604 O\n0.328605 0.921395 0.921394 O\n0.375000 0.375000 0.374999 O\n0.671395 0.078605 0.671394 O\n0.078605 0.671395 0.078605 O\n0.328605 0.921395 0.328604 O\n0.328605 0.328605 0.921394 O\n0.921395 0.921395 0.328604 O\n0.921395 0.328605 0.921394 O\n0.078605 0.671395 0.671394 O\n0.625000 0.625000 0.624999 O\n0.921395 0.328605 0.328604 O\n",
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"density": 7.1156785670125435,
"density_atomic": 0.07821976600022197,
"volume": 281.258831686323,
"volume_molar": 7.699001247309933,
"formula_full": "Nd4 Ru4 O14",
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{
"id": "jvasp-70364",
"created_at": "2022-09-04T14:36:17.968594Z",
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"structure_string": "Be2 Si1 Tc1\n1.0\n-1.694773 1.694773 3.798824\n1.694773 -1.694773 3.798824\n1.694773 1.694773 -3.798824\nBe Si Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Si\n0.749999 0.250000 0.499999 Tc\n",
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},
{
"id": "jvasp-12058",
"created_at": "2022-09-04T14:37:04.133132Z",
"updated_at": "2022-09-04T14:37:04.133143Z",
"structure_string": "Si6 H2\n1.0\n-1.939104 -3.358626 0.000000\n-1.939139 3.358646 -0.000013\n-0.000036 0.000021 -11.374605\nSi H\n6 2\ndirect\n0.666666 0.333333 0.464546 Si\n0.333334 0.666667 0.535454 Si\n0.666662 0.333325 0.254296 Si\n0.333338 0.666675 0.745704 Si\n0.333323 0.666648 0.186629 Si\n0.666677 0.333352 0.813372 Si\n0.333335 0.666671 0.054110 H\n0.666665 0.333329 0.945890 H\n",
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},
{
"id": "jvasp-106869",
"created_at": "2022-09-04T14:37:50.950384Z",
"updated_at": "2022-09-04T14:37:50.950410Z",
"structure_string": "Na1 Si6\n1.0\n7.162077 0.000000 0.000000\n-3.581039 6.202541 0.000000\n-0.000000 0.000000 2.566666\nNa Si\n1 6\ndirect\n0.000000 0.000000 0.500001 Na\n0.146128 0.705585 -0.000000 Si\n0.294415 0.440543 -0.000000 Si\n0.559457 0.853871 -0.000000 Si\n0.853872 0.294415 -0.000000 Si\n0.705585 0.559457 -0.000000 Si\n0.440543 0.146128 -0.000000 Si\n",
"nsites": 7,
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"volume": 114.01919939460214,
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},
{
"id": "jvasp-98803",
"created_at": "2022-09-04T14:38:07.801545Z",
"updated_at": "2022-09-04T14:38:07.801573Z",
"structure_string": "Li2 V6 Te4 O24\n1.0\n6.197119 -0.031710 -0.342787\n-1.832226 6.874078 -0.262933\n0.022107 0.033744 10.710575\nLi V Te O\n2 6 4 24\ndirect\n0.794379 0.759188 0.107399 Li\n0.205621 0.240812 0.892602 Li\n0.379884 0.802857 0.582427 V\n0.620110 0.230687 0.079448 V\n0.379890 0.769313 0.920552 V\n0.661861 0.219318 0.751537 V\n0.620116 0.197143 0.417573 V\n0.338139 0.780681 0.248464 V\n0.838172 0.776692 0.406664 Te\n0.140421 0.183159 0.214112 Te\n0.161828 0.223308 0.593336 Te\n0.859579 0.816841 0.785888 Te\n0.521886 0.161036 0.254233 O\n0.358373 0.269274 0.458152 O\n0.376266 0.280853 0.734441 O\n0.146641 0.877649 0.883487 O\n0.853359 0.122351 0.116514 O\n0.414913 0.839336 0.083280 O\n0.623734 0.719147 0.265560 O\n0.741621 0.461972 0.091047 O\n0.621339 0.121180 0.592665 O\n0.827545 0.438438 0.753401 O\n0.910878 0.100597 0.786625 O\n0.200456 0.588348 0.575679 O\n0.148038 0.942953 0.595146 O\n0.851962 0.057047 0.404854 O\n0.799544 0.411651 0.424321 O\n0.172455 0.561562 0.246600 O\n0.641627 0.730726 0.541848 O\n0.700300 0.775364 0.934706 O\n0.299700 0.224636 0.065294 O\n0.378661 0.878820 0.407336 O\n0.478114 0.838964 0.745768 O\n0.089121 0.899403 0.213376 O\n0.258378 0.538027 0.908954 O\n0.585087 0.160664 0.916720 O\n",
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"elements": [
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"volume": 455.7710884658886,
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"formula_full": "Li2 V6 Te4 O24",
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}
]
}