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"results": [
{
"id": "jvasp-42966",
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"updated_at": "2022-09-04T14:37:27.659507Z",
"structure_string": "Mn1 V1 P4 O14\n1.0\n4.771220 -0.076638 -0.080423\n2.070830 6.589824 -0.137638\n0.035519 0.182731 7.838893\nMn V P O\n1 1 4 14\ndirect\n0.783557 0.728010 0.006045 Mn\n0.217966 0.271782 0.505749 V\n0.398058 0.494234 0.183704 P\n0.217746 0.896663 0.777387 P\n0.766517 0.098841 0.267576 P\n0.613837 0.509468 0.690217 P\n0.854728 0.469054 0.559113 O\n0.725736 0.516174 0.873184 O\n0.607267 0.626744 0.188310 O\n0.410221 0.899498 0.935768 O\n0.402186 0.729565 0.647042 O\n0.579639 0.266478 0.135787 O\n0.283285 0.482671 0.363285 O\n0.432235 0.359167 0.681912 O\n0.873778 0.907961 0.164048 O\n0.160997 0.549394 0.046146 O\n0.140522 0.090677 0.673104 O\n0.026933 0.170966 0.326023 O\n0.574047 0.084410 0.419550 O\n0.936055 0.843628 0.819608 O\n",
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{
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"structure_string": "Sb4 S28 I4 F24\n1.0\n8.829914 0.000000 0.000000\n0.000000 11.580440 0.000000\n0.000000 0.000000 12.542172\nSb S I F\n4 28 4 24\ndirect\n0.065558 0.591281 0.358617 Sb\n0.565558 0.408719 0.141383 Sb\n0.434442 0.091281 0.641383 Sb\n0.934441 0.908719 0.858617 Sb\n0.903064 0.132278 0.536710 S\n0.968639 0.249780 0.281665 S\n0.443330 0.058021 0.997226 S\n0.846126 0.919091 0.363611 S\n0.346126 0.080909 0.136389 S\n0.521720 0.035299 0.253894 S\n0.031361 0.250220 0.781665 S\n0.445349 0.892950 0.326946 S\n0.556669 0.441979 0.497226 S\n0.943330 0.941979 0.502774 S\n0.056670 0.558021 0.002774 S\n0.554651 0.607050 0.826946 S\n0.153874 0.580909 0.863611 S\n0.478279 0.464701 0.753894 S\n0.781009 0.191016 0.423810 S\n0.653874 0.419091 0.636389 S\n0.218991 0.308984 0.923810 S\n0.054651 0.392950 0.673054 S\n0.021720 0.964701 0.246106 S\n0.596936 0.632278 0.463290 S\n0.978279 0.535299 0.746106 S\n0.096936 0.367722 0.036710 S\n0.281009 0.808984 0.076190 S\n0.718991 0.691016 0.576190 S\n0.468639 0.750220 0.218335 S\n0.403064 0.867722 0.963290 S\n0.945349 0.107050 0.173054 S\n0.531361 0.749780 0.718335 S\n0.692240 0.780786 0.117894 I\n0.807759 0.280786 0.882106 I\n0.307759 0.719214 0.617894 I\n0.192240 0.219214 0.382106 I\n0.126239 0.851631 0.812263 F\n0.467561 0.534269 0.068234 F\n0.967560 0.465731 0.431766 F\n0.626239 0.148369 0.687736 F\n0.448027 0.182124 0.510901 F\n0.032439 0.034269 0.931766 F\n0.416013 0.001521 0.769000 F\n0.373761 0.351631 0.187736 F\n0.661714 0.277605 0.209137 F\n0.551973 0.317876 0.010901 F\n0.083987 0.501521 0.231000 F\n0.583987 0.498479 0.269000 F\n0.739620 0.961855 0.905049 F\n0.760380 0.461855 0.094951 F\n0.532439 0.965731 0.568234 F\n0.239620 0.038145 0.594951 F\n0.873760 0.648369 0.312264 F\n0.838286 0.777605 0.790863 F\n0.051973 0.682124 0.489099 F\n0.161714 0.722395 0.290863 F\n0.338286 0.222395 0.709137 F\n0.260380 0.538145 0.405049 F\n0.948027 0.817876 0.989099 F\n0.916013 -0.001521 0.731000 F\n",
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{
"id": "jvasp-111666",
"created_at": "2022-09-04T14:38:41.358845Z",
"updated_at": "2022-09-04T14:38:41.358875Z",
"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n5.849353 -0.016197 -0.676875\n-2.407680 5.567999 -2.294757\n0.008976 0.022888 7.683891\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.341472 0.711609 0.239495 K\n0.658528 0.288391 0.760506 K\n0.000000 0.000000 0.000000 Mg\n0.325141 0.661574 0.759155 Mo\n0.674859 0.338426 0.240845 Mo\n0.926090 0.863693 0.297022 H\n0.073910 0.136307 0.702978 H\n0.127378 0.131503 0.390950 H\n0.872622 0.868497 0.609050 H\n0.903958 0.298680 0.111869 O\n0.096042 0.701320 0.888131 O\n0.380844 0.230450 0.071552 O\n0.619156 0.769550 0.928448 O\n0.350963 0.812167 0.608902 O\n0.237979 0.347506 0.622232 O\n0.649037 0.187833 0.391098 O\n0.052477 0.983731 0.267314 O\n0.762021 0.652494 0.377768 O\n0.947523 0.016269 0.732686 O\n",
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"elements": [
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],
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"density_atomic": 0.0758976432966591,
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{
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"created_at": "2022-09-04T14:37:19.208943Z",
"updated_at": "2022-09-04T14:37:19.208962Z",
"structure_string": "Ca1 Cr2 F12\n1.0\n4.909218 -0.143474 0.762262\n-2.591518 4.799642 0.878888\n1.123304 -0.116163 8.912372\nCa Cr F\n1 2 12\ndirect\n0.500000 0.000001 0.500000 Ca\n0.011728 0.751550 0.225913 Cr\n-0.011729 0.248451 0.774087 Cr\n0.227830 0.707422 0.053644 F\n0.198742 0.205646 0.579106 F\n0.634062 0.554940 0.206987 F\n0.618942 0.065765 0.725751 F\n0.076724 0.073764 0.132012 F\n0.061325 0.575762 0.652824 F\n0.365938 0.445061 0.793013 F\n0.381058 0.934236 0.274248 F\n0.772170 0.292579 0.946356 F\n0.801258 0.794355 0.420894 F\n0.923276 0.926237 0.867987 F\n0.938675 0.424239 0.347176 F\n",
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{
"id": "jvasp-28431",
"created_at": "2022-09-04T14:37:01.931345Z",
"updated_at": "2022-09-04T14:37:01.931371Z",
"structure_string": "Al2 Fe1 S4\n1.0\n-1.772672 -3.070357 0.000000\n1.772672 -3.070357 0.000000\n-0.000000 -2.046904 11.942283\nAl Fe S\n2 1 4\ndirect\n0.699872 0.699872 0.900385 Al\n0.468577 0.468577 0.594269 Al\n0.936960 0.936960 0.189124 Fe\n-0.000269 -0.000269 0.000807 S\n0.829650 0.829650 0.511051 S\n0.586051 0.586051 0.241846 S\n0.406361 0.406361 0.780917 S\n",
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"volume": 129.99738443967343,
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"formula_full": "Al2 Fe1 S4",
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"spacegroup": 160
},
{
"id": "jvasp-47815",
"created_at": "2022-09-04T14:36:43.087370Z",
"updated_at": "2022-09-04T14:36:43.087381Z",
"structure_string": "Li1 Fe1 Si1 O4\n1.0\n-0.000000 4.429907 -0.000000\n2.214953 -2.214954 4.308982\n4.429907 0.000000 -0.000000\nLi Fe Si O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.750001 0.500000 0.750000 Fe\n0.000000 0.000000 0.000000 Si\n0.347748 0.217635 0.084518 O\n0.697848 0.782365 0.347748 O\n0.869887 0.217635 0.697847 O\n0.084519 0.782365 0.869886 O\n",
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],
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"formula_full": "Li1 Fe1 Si1 O4",
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},
{
"id": "jvasp-110658",
"created_at": "2022-09-04T14:38:47.646279Z",
"updated_at": "2022-09-04T14:38:47.646312Z",
"structure_string": "K2 Li1 Lu1 Cl6\n1.0\n6.189549 -0.000000 3.573538\n2.063183 5.835563 3.573538\n-0.000000 -0.000000 7.147075\nK Li Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Lu\n0.747394 0.252606 0.252607 Cl\n0.252606 0.252606 0.747395 Cl\n0.252606 0.747393 0.747395 Cl\n0.252606 0.747393 0.252607 Cl\n0.747394 0.252606 0.747395 Cl\n0.747394 0.747393 0.252607 Cl\n",
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"elements": [
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],
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"density": 3.041425741428968,
"density_atomic": 0.038737348706052104,
"volume": 258.1487978406136,
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"formula_full": "K2 Li1 Lu1 Cl6",
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},
{
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"created_at": "2022-09-04T14:35:45.790611Z",
"updated_at": "2022-09-04T14:35:45.790636Z",
"structure_string": "Li4 Mn4 F14\n1.0\n-5.385291 -0.026045 0.074767\n-0.553200 -6.664258 -0.061646\n1.858149 2.665743 7.816549\nLi Mn F\n4 4 14\ndirect\n0.671477 0.250407 0.911087 Li\n0.136451 0.011525 0.740230 Li\n0.863549 0.988475 0.259770 Li\n0.328523 0.749593 0.088913 Li\n0.726472 0.726425 0.827859 Mn\n0.209350 0.469352 0.661509 Mn\n0.790650 0.530648 0.338491 Mn\n0.273528 0.273575 0.172141 Mn\n0.418839 0.563906 0.214622 F\n0.897588 0.803369 0.381246 F\n0.667057 0.248827 0.302031 F\n0.156143 0.003982 0.173137 F\n0.194028 0.401215 0.412910 F\n0.805972 0.598785 0.587090 F\n0.581160 0.436094 0.785378 F\n0.332943 0.751173 0.697969 F\n0.102412 0.196631 0.618754 F\n0.901020 0.400141 0.112572 F\n0.098980 0.599859 0.887428 F\n0.362266 0.173359 0.945581 F\n0.843856 0.996018 0.826863 F\n0.637734 0.826641 0.054419 F\n",
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],
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"formula_full": "Li4 Mn4 F14",
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{
"id": "jvasp-44143",
"created_at": "2022-09-04T14:38:28.228100Z",
"updated_at": "2022-09-04T14:38:28.228116Z",
"structure_string": "Li3 V1 P2 H1 O8\n1.0\n5.018022 0.057631 0.027311\n-2.069747 4.625696 -0.000994\n-0.029432 -0.038482 6.146704\nLi V P H O\n3 1 2 1 8\ndirect\n0.617103 0.223733 0.758082 Li\n0.000000 0.000000 0.500000 Li\n0.382897 0.776268 0.241918 Li\n0.000000 0.000000 0.000000 V\n0.638657 0.362110 0.245582 P\n0.361343 0.637891 0.754417 P\n0.000000 0.500001 0.500000 H\n0.755242 0.251405 0.050897 O\n0.776273 0.296838 0.460358 O\n0.305666 0.195722 0.261979 O\n0.271771 0.307441 0.764134 O\n0.728229 0.692560 0.235866 O\n0.694334 0.804279 0.738021 O\n0.223726 0.703163 0.539642 O\n0.244758 0.748596 0.949103 O\n",
"nsites": 15,
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],
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"formula_full": "Li3 V1 P2 H1 O8",
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"formula_anonymous": "ABC2D3E8",
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},
{
"id": "jvasp-118597",
"created_at": "2022-09-04T14:38:51.555354Z",
"updated_at": "2022-09-04T14:38:51.555375Z",
"structure_string": "Li2 Al1 O3\n1.0\n4.642582 -1.947387 -0.519719\n4.642582 1.947387 -0.519719\n-0.530462 0.000000 2.742020\nLi Al O\n2 1 3\ndirect\n0.813976 0.813976 0.813756 Li\n0.186025 0.186025 0.186244 Li\n0.500000 0.500000 0.500000 Al\n0.644576 0.644576 0.144262 O\n1.000000 1.000000 0.499999 O\n0.355424 0.355424 0.855738 O\n",
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],
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"density": 3.042006750308888,
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"volume": 48.506923417021994,
"volume_molar": 4.868592010864111,
"formula_full": "Li2 Al1 O3",
"formula_reduced": "Li2AlO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 71
},
{
"id": "jvasp-18440",
"created_at": "2022-09-04T14:35:58.948345Z",
"updated_at": "2022-09-04T14:35:58.948371Z",
"structure_string": "Ba2 Li4 Si2\n1.0\n4.628886 0.000000 0.000000\n0.000000 6.316562 0.000000\n0.000000 0.000000 6.694380\nBa Li Si\n2 4 2\ndirect\n0.000000 0.903162 0.000000 Ba\n0.500000 0.096838 0.500000 Ba\n0.000000 0.410420 0.798758 Li\n0.500000 0.589580 0.701242 Li\n0.500000 0.589580 0.298758 Li\n0.000000 0.410420 0.201242 Li\n0.500000 0.310610 0.000000 Si\n0.000000 0.689390 0.500000 Si\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.0421347786548774,
"density_atomic": 0.040871669469575864,
"volume": 195.73460305934057,
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"formula_full": "Ba2 Li4 Si2",
"formula_reduced": "BaLi2Si",
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"spacegroup": 59
},
{
"id": "jvasp-115701",
"created_at": "2022-09-04T14:38:48.612003Z",
"updated_at": "2022-09-04T14:38:48.612032Z",
"structure_string": "Li1 Br1 N1\n1.0\n4.257157 0.000000 -0.000000\n-2.128579 3.686806 0.000000\n0.000000 -0.000000 3.507200\nLi Br N\n1 1 1\ndirect\n0.333333 0.666668 0.000000 Li\n0.000000 0.000000 0.000000 Br\n0.666666 0.333334 0.000000 N\n",
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"formula_full": "Li1 Br1 N1",
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}
]
}