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"results": [
{
"id": "jvasp-101481",
"created_at": "2022-09-04T14:36:36.081919Z",
"updated_at": "2022-09-04T14:36:36.081939Z",
"structure_string": "K3 Ga1 F6\n1.0\n5.349850 -0.000000 3.088738\n1.783283 5.043887 3.088738\n-0.000000 -0.000000 6.177475\nK Ga F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750001 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Ga\n0.781011 0.218988 0.218989 F\n0.218988 0.781012 0.781013 F\n0.218988 0.781012 0.218989 F\n0.781011 0.218988 0.781013 F\n0.218988 0.218988 0.781013 F\n0.781011 0.781012 0.218989 F\n",
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{
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"structure_string": "Li1 V1 Cr1 P4 O14\n1.0\n4.816677 0.000959 0.017819\n-2.144649 -6.609239 0.021759\n-0.070203 0.046757 -7.963550\nLi V Cr P O\n1 1 1 4 14\ndirect\n0.157958 0.674066 0.632880 Li\n0.779536 0.270018 0.492115 V\n0.213282 0.727059 0.000735 Cr\n0.598043 0.484137 0.823420 P\n0.793226 0.909457 0.218908 P\n0.223059 0.091530 0.722049 P\n0.393250 0.518656 0.313980 P\n0.161973 0.486137 0.451502 O\n0.269511 0.512835 0.138431 O\n0.383333 0.606978 0.812248 O\n0.602683 0.905654 0.064393 O\n0.609008 0.742093 0.353367 O\n0.412449 0.251002 0.857073 O\n0.741441 0.484841 0.650495 O\n0.574421 0.372619 0.330744 O\n0.122717 0.888197 0.808464 O\n0.819308 0.542077 0.964549 O\n0.867424 0.105504 0.322805 O\n0.967565 0.165053 0.667383 O\n0.413663 0.079713 0.570494 O\n0.072183 0.859533 0.181986 O\n",
"nsites": 21,
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"density_atomic": 0.08284518763929594,
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"formula_full": "Li1 V1 Cr1 P4 O14",
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{
"id": "jvasp-108974",
"created_at": "2022-09-04T14:38:06.636416Z",
"updated_at": "2022-09-04T14:38:06.636438Z",
"structure_string": "K2 Li1 Sc1 F6\n1.0\n4.988438 -0.000000 2.880076\n1.662813 4.703145 2.880076\n-0.000000 -0.000000 5.760153\nK Li Sc F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Sc\n0.248352 0.248351 0.751649 F\n0.248351 0.751648 0.751649 F\n0.751649 0.751648 0.248353 F\n0.248351 0.751648 0.248353 F\n0.751649 0.248351 0.751649 F\n0.751649 0.248351 0.248352 F\n",
"nsites": 10,
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"elements": [
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"density": 2.999171637198657,
"density_atomic": 0.07399681609541206,
"volume": 135.14094967418495,
"volume_molar": 8.138378213780179,
"formula_full": "K2 Li1 Sc1 F6",
"formula_reduced": "K2LiScF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-36469",
"created_at": "2022-09-04T14:37:31.026895Z",
"updated_at": "2022-09-04T14:37:31.026910Z",
"structure_string": "Sr3 P2\n1.0\n5.644409 0.000000 -0.000000\n0.000000 5.644409 0.000000\n-0.000000 0.000000 5.644409\nSr P\n3 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
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"elements": [
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"density_atomic": 0.027804467196627294,
"volume": 179.82721857754225,
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"formula_full": "Sr3 P2",
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},
{
"id": "jvasp-35221",
"created_at": "2022-09-04T14:37:34.232628Z",
"updated_at": "2022-09-04T14:37:34.232644Z",
"structure_string": "Li2 Si1 Sn1 S4\n1.0\n5.426123 -0.021638 -2.486397\n-3.185611 4.948294 -0.995855\n-0.013930 0.021638 5.968650\nLi Si Sn S\n2 1 1 4\ndirect\n0.500000 0.250000 0.750000 Li\n0.499999 0.749999 0.250000 Li\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Sn\n0.613513 0.465368 0.465368 S\n-0.000000 0.534631 0.148145 S\n0.000000 0.148145 0.534632 S\n0.386486 0.851855 0.851855 S\n",
"nsites": 8,
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"elements": [
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"volume": 159.9637665335385,
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"formula_full": "Li2 Si1 Sn1 S4",
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"spacegroup": 121
},
{
"id": "jvasp-85206",
"created_at": "2022-09-04T14:37:04.460424Z",
"updated_at": "2022-09-04T14:37:04.460449Z",
"structure_string": "Ba4 Na2 O2\n1.0\n-6.639459 0.000000 0.000000\n0.000000 -0.000000 -6.903074\n3.319729 -7.575370 -0.000000\nBa Na O\n4 2 2\ndirect\n0.411826 0.197005 0.823652 Ba\n0.588174 0.802995 0.176348 Ba\n0.911826 0.802995 0.823652 Ba\n0.088174 0.197005 0.176348 Ba\n0.250000 0.694391 0.500000 Na\n0.750000 0.305608 0.500000 Na\n0.250000 0.000000 0.000000 O\n0.750000 0.000000 0.000000 O\n",
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"elements": [
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"density": 3.0001008545305705,
"density_atomic": 0.023041508843183386,
"volume": 347.1994848274324,
"volume_molar": 26.13605211787853,
"formula_full": "Ba4 Na2 O2",
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"spacegroup": 67
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{
"id": "jvasp-50291",
"created_at": "2022-09-04T14:37:05.322863Z",
"updated_at": "2022-09-04T14:37:05.322879Z",
"structure_string": "Li5 Cu1 P2 O8\n1.0\n0.000000 4.937040 -0.005701\n6.175420 0.000000 0.000000\n0.000000 -0.026160 -5.231921\nLi Cu P O\n5 1 2 8\ndirect\n0.490869 0.000000 0.161853 Li\n0.994449 0.750116 0.326009 Li\n0.492099 0.746883 0.674630 Li\n0.492099 0.253116 0.674630 Li\n0.994449 0.249883 0.326009 Li\n0.995222 0.500000 0.807151 Cu\n-0.001761 0.000000 0.827726 P\n0.499312 0.500000 0.182993 P\n0.895481 0.000000 0.107712 O\n0.312521 0.000000 0.821270 O\n0.886357 0.798547 0.681121 O\n0.388899 0.708219 0.315376 O\n0.812997 0.500000 0.201664 O\n0.414343 0.500000 0.895357 O\n0.388899 0.291781 0.315376 O\n0.886357 0.201453 0.681121 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.1003051314895901,
"volume": 159.51327476860462,
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"formula_full": "Li5 Cu1 P2 O8",
"formula_reduced": "Li5Cu(PO4)2",
"formula_anonymous": "AB2C5D8",
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"spacegroup": 6
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{
"id": "jvasp-42276",
"created_at": "2022-09-04T14:36:08.594466Z",
"updated_at": "2022-09-04T14:36:08.594492Z",
"structure_string": "Li4 Mn2 Si2 O8\n1.0\n3.865872 3.683457 0.000000\n-3.865872 3.683457 0.000000\n0.000000 0.000000 6.254132\nLi Mn Si O\n4 2 2 8\ndirect\n0.311807 0.688193 0.500000 Li\n0.180635 0.180635 0.750000 Li\n0.819366 0.819366 0.250000 Li\n0.688193 0.311807 0.000000 Li\n0.322621 0.677380 0.000000 Mn\n0.677380 0.322621 0.500000 Mn\n0.173377 0.173377 0.250000 Si\n0.826624 0.826624 0.750000 Si\n0.203541 0.866336 0.255893 O\n0.133664 0.796460 0.744106 O\n0.308662 0.293110 0.032417 O\n0.706891 0.691339 0.967583 O\n0.293110 0.308662 0.467583 O\n0.691339 0.706891 0.532416 O\n0.796460 0.133664 0.755893 O\n0.866336 0.203541 0.244107 O\n",
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],
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"density": 3.0001537546311594,
"density_atomic": 0.08982968340749355,
"volume": 178.11484348018183,
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"formula_full": "Li4 Mn2 Si2 O8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 20
},
{
"id": "jvasp-40685",
"created_at": "2022-09-04T14:38:04.991256Z",
"updated_at": "2022-09-04T14:38:04.991289Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.043181 0.000000 0.000000\n0.000000 6.068328 0.000000\n0.000000 0.000000 11.345283\nLi Mn P O\n4 4 4 16\ndirect\n0.753013 0.472528 0.176292 Li\n0.253013 0.972528 0.323707 Li\n0.753013 0.027472 0.676292 Li\n0.253013 0.527473 0.823707 Li\n0.259364 0.225782 0.078110 Mn\n0.759364 0.725782 0.421890 Mn\n0.259364 0.274218 0.578110 Mn\n0.759364 0.774218 0.921890 Mn\n0.248303 0.031118 0.828784 P\n0.748303 0.531118 0.671216 P\n0.248303 0.468882 0.328784 P\n0.748303 0.968882 0.171216 P\n0.867947 0.549414 0.796613 O\n0.942822 0.011912 0.822831 O\n0.442822 0.511912 0.677169 O\n0.367947 0.049413 0.703387 O\n0.860430 0.320632 0.609655 O\n0.822270 0.739794 0.597295 O\n0.322270 0.260206 0.402704 O\n0.860430 0.179368 0.109655 O\n0.867947 0.950587 0.296613 O\n0.942822 0.488088 0.322831 O\n0.442822 -0.011912 0.177169 O\n0.367947 0.450587 0.203387 O\n0.360430 0.820633 0.890345 O\n0.822270 0.760206 0.097296 O\n0.360430 0.679368 0.390345 O\n0.322270 0.239794 0.902704 O\n",
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"volume": 347.2073704081114,
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"formula_full": "Li4 Mn4 P4 O16",
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{
"id": "jvasp-45228",
"created_at": "2022-09-04T14:38:04.749053Z",
"updated_at": "2022-09-04T14:38:04.749085Z",
"structure_string": "Na6 Fe2 P2 C2 O14\n1.0\n0.000000 5.274307 -0.008791\n6.590338 0.000000 0.000000\n0.000000 -0.072664 -8.908998\nNa Fe P C O\n6 2 2 2 14\ndirect\n0.999623 0.514201 0.998992 Na\n0.561190 0.765928 0.838043 Na\n0.500785 0.512277 0.501155 Na\n0.499216 0.012277 0.498845 Na\n0.438811 0.265928 0.161957 Na\n0.000378 0.014200 0.001008 Na\n0.970908 0.262407 0.703443 Fe\n0.029093 0.762407 0.296557 Fe\n0.984055 0.263433 0.343839 P\n0.015947 0.763434 0.656162 P\n0.502371 0.263000 0.845329 C\n0.497631 0.763000 0.154671 C\n0.075980 0.450542 0.251772 O\n0.078992 0.075755 0.253681 O\n0.437550 0.760982 0.294640 O\n0.695639 0.262528 0.362617 O\n0.121631 0.266294 0.500071 O\n0.878370 0.766294 0.499929 O\n0.679249 0.263664 0.947999 O\n0.562451 0.260982 0.705360 O\n0.921009 0.575755 0.746319 O\n0.924022 0.950542 0.748228 O\n0.264407 0.264392 0.885885 O\n0.735594 0.764392 0.114115 O\n0.304362 0.762529 0.637383 O\n0.320753 0.763664 0.052001 O\n",
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"formula_full": "Na6 Fe2 P2 C2 O14",
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{
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"created_at": "2022-09-04T14:38:29.786095Z",
"updated_at": "2022-09-04T14:38:29.786107Z",
"structure_string": "Mg2 S2 O8\n1.0\n4.735822 0.006599 -0.000000\n-1.876869 4.348036 -0.000000\n-0.000000 0.000000 6.465468\nMg S O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.352137 0.647863 0.750000 S\n0.647862 0.352138 0.250000 S\n0.229304 0.302208 0.750000 O\n0.770696 0.697793 0.250000 O\n0.302207 0.229304 0.250000 O\n0.697793 0.770697 0.750000 O\n0.250522 0.749479 0.938280 O\n0.749478 0.250522 0.438279 O\n0.749478 0.250522 0.061721 O\n0.250522 0.749479 0.561721 O\n",
"nsites": 12,
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"volume": 133.21392080653712,
"volume_molar": 6.685274852403827,
"formula_full": "Mg2 S2 O8",
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},
{
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"created_at": "2022-09-04T14:35:59.150079Z",
"updated_at": "2022-09-04T14:35:59.150103Z",
"structure_string": "Mg6 Ga1 Co1\n1.0\n6.054808 -0.062477 0.000000\n-3.081511 5.337334 0.000000\n0.000000 0.000000 4.728174\nMg Ga Co\n6 1 1\ndirect\n0.670009 0.333031 0.250000 Mg\n0.670009 0.836976 0.250000 Mg\n0.321476 0.172515 0.749999 Mg\n0.321476 0.648960 0.749999 Mg\n0.849560 0.174779 0.749999 Mg\n0.837255 0.668627 0.749999 Mg\n0.166051 0.833024 0.250000 Ga\n0.164164 0.332081 0.250000 Co\n",
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}
]
}