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{
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"results": [
{
"id": "jvasp-113173",
"created_at": "2022-09-04T14:38:44.912687Z",
"updated_at": "2022-09-04T14:38:44.912707Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.250452 -0.080429 -0.000000\n0.748302 9.388261 -0.000001\n-0.000000 -0.000001 6.114365\nLi Mn P O\n4 4 4 16\ndirect\n0.169206 0.927938 0.640924 Li\n0.330792 0.572062 0.140924 Li\n0.669206 0.427938 0.859077 Li\n0.830792 0.072062 0.359076 Li\n0.222868 0.330518 0.609004 Mn\n0.277130 0.169482 0.109003 Mn\n0.722868 0.830518 0.890997 Mn\n0.777130 0.669482 0.390998 Mn\n0.260568 0.633432 0.651749 P\n0.239431 0.866568 0.151748 P\n0.760567 0.133432 0.848252 P\n0.739432 0.366568 0.348253 P\n0.485832 0.763560 0.165415 O\n0.492284 0.729192 0.646418 O\n0.507717 0.270808 0.353583 O\n0.785194 0.023355 0.660205 O\n0.261779 0.953305 0.938249 O\n0.214805 0.976644 0.339795 O\n0.285194 0.523355 0.839795 O\n0.992283 0.229192 0.853583 O\n0.985831 0.263560 0.334586 O\n0.014169 0.736440 0.665415 O\n0.714805 0.476644 0.160205 O\n0.761779 0.453305 0.561751 O\n0.738219 0.046695 0.061751 O\n0.007716 0.770808 0.146417 O\n0.238219 0.546695 0.438249 O\n0.514169 0.236440 0.834587 O\n",
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"density_atomic": 0.0927886557579234,
"volume": 301.761026402293,
"volume_molar": 6.490169203131017,
"formula_full": "Li4 Mn4 P4 O16",
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"formula_anonymous": "ABCD4",
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{
"id": "jvasp-44793",
"created_at": "2022-09-04T14:38:33.629570Z",
"updated_at": "2022-09-04T14:38:33.629599Z",
"structure_string": "Li2 Ti2 Ni2 O8\n1.0\n5.941530 -0.000000 0.000000\n2.970765 4.983092 -0.122557\n2.970765 1.545482 4.738956\nLi Ti Ni O\n2 2 2 8\ndirect\n0.118978 0.131022 0.131022 Li\n0.881024 0.868977 0.868978 Li\n0.500000 -0.000000 0.500000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.000001 0.500000 0.500000 Ni\n0.500001 0.500000 0.500000 Ni\n0.268746 0.258511 0.258511 O\n0.257104 0.268675 0.717119 O\n0.257104 0.717118 0.268676 O\n0.714233 0.258511 0.258511 O\n0.285769 0.741488 0.741489 O\n0.742898 0.731324 0.282882 O\n0.742898 0.282881 0.731325 O\n0.731256 0.741488 0.741489 O\n",
"nsites": 14,
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"density": 4.1679798598381455,
"density_atomic": 0.09898710971118219,
"volume": 141.43255663134565,
"volume_molar": 6.083762600575964,
"formula_full": "Li2 Ti2 Ni2 O8",
"formula_reduced": "LiTiNiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-47661",
"created_at": "2022-09-04T14:37:18.919380Z",
"updated_at": "2022-09-04T14:37:18.919406Z",
"structure_string": "Li4 Co4 Sn4 O16\n1.0\n6.047705 0.000000 0.000000\n0.000000 6.047705 -0.000000\n-0.000000 0.000000 8.540879\nLi Co Sn O\n4 4 4 16\ndirect\n0.000000 0.203021 0.000000 Li\n0.000000 0.796980 0.500000 Li\n0.203021 0.000000 0.250000 Li\n0.796980 0.000000 0.750000 Li\n0.253637 0.253637 0.625000 Co\n0.253637 0.746364 0.875000 Co\n0.746364 0.253637 0.375000 Co\n0.746364 0.746364 0.125000 Co\n0.776527 0.500000 0.750000 Sn\n0.500000 0.776527 0.500000 Sn\n0.500000 0.223474 0.000000 Sn\n0.223474 0.500000 0.250000 Sn\n0.747806 0.006769 0.502381 O\n0.747806 0.993232 -0.002381 O\n0.743004 0.482077 0.994722 O\n0.743004 0.517923 0.505278 O\n0.517923 0.743004 0.744722 O\n0.517923 0.256997 0.755278 O\n0.482077 0.743004 0.255278 O\n0.993232 0.747806 0.252381 O\n0.256997 0.517923 0.494722 O\n0.256997 0.482077 0.005278 O\n0.252195 0.006769 0.497619 O\n0.252195 0.993232 0.002381 O\n0.006769 0.252195 0.752381 O\n0.993232 0.252195 0.247619 O\n0.482077 0.256997 0.244722 O\n0.006769 0.747806 0.747619 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 5.285604238478787,
"density_atomic": 0.08963430695212536,
"volume": 312.3803926431327,
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"formula_full": "Li4 Co4 Sn4 O16",
"formula_reduced": "LiCoSnO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 95
},
{
"id": "jvasp-110997",
"created_at": "2022-09-04T14:38:37.074081Z",
"updated_at": "2022-09-04T14:38:37.074105Z",
"structure_string": "Sr1 Nd1 Ga1 O4\n1.0\n3.697548 0.012152 -5.740620\n-0.309818 3.684565 -5.740620\n-0.011136 -0.012152 6.828356\nSr Nd Ga O\n1 1 1 4\ndirect\n0.643796 0.643796 0.000000 Sr\n0.359975 0.359975 0.000000 Nd\n0.006399 0.006399 0.000000 Ga\n0.992108 0.492109 0.500000 O\n0.492108 0.992110 0.500001 O\n0.834737 0.834737 0.000000 O\n0.170877 0.170877 0.000000 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 6.5600246970006495,
"density_atomic": 0.07564302701946575,
"volume": 92.5399243766202,
"volume_molar": 7.961263578796601,
"formula_full": "Sr1 Nd1 Ga1 O4",
"formula_reduced": "SrNdGaO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.2551977335714288,
"spacegroup": 107
},
{
"id": "jvasp-44767",
"created_at": "2022-09-04T14:38:07.740561Z",
"updated_at": "2022-09-04T14:38:07.740588Z",
"structure_string": "Li2 V2 Fe2 O8\n1.0\n5.839708 -0.239325 -0.090237\n0.207213 5.840936 0.090237\n-3.007133 -2.818431 4.145023\nLi V Fe O\n2 2 2 8\ndirect\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.500001 0.000000 Li\n0.376928 0.626928 0.750000 V\n0.623072 0.373072 0.250000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000001 0.499999 Fe\n0.253576 0.255769 0.502193 O\n0.261916 0.752920 0.508997 O\n0.743923 0.752920 0.991002 O\n0.746424 0.248617 0.002193 O\n0.253575 0.751382 -0.002193 O\n0.256077 0.247080 0.008997 O\n0.738084 0.247080 0.491002 O\n0.746424 0.744231 0.497806 O\n",
"nsites": 14,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.168132996521929,
"density_atomic": 0.09886481163375929,
"volume": 141.60751200196927,
"volume_molar": 6.091288356780345,
"formula_full": "Li2 V2 Fe2 O8",
"formula_reduced": "LiVFeO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-52286",
"created_at": "2022-09-04T14:37:02.549694Z",
"updated_at": "2022-09-04T14:37:02.549720Z",
"structure_string": "Li4 Si4 Bi4 O16\n1.0\n4.887072 0.000000 0.000000\n-0.000000 6.824104 0.000000\n0.000000 0.000000 10.667337\nLi Si Bi O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.887898 0.750000 0.578164 Si\n0.612101 0.750000 0.078164 Si\n0.387898 0.250000 0.921836 Si\n0.112101 0.250000 0.421836 Si\n0.064182 0.750000 0.279960 Bi\n0.435817 0.750000 0.779961 Bi\n0.564182 0.250000 0.220040 Bi\n0.935817 0.250000 0.720040 Bi\n0.253015 0.062931 0.343583 O\n0.280587 0.750000 0.072585 O\n0.219413 0.750000 0.572585 O\n0.246985 0.062931 0.843583 O\n0.246985 0.437069 0.843583 O\n0.246111 0.250000 0.062411 O\n0.753889 0.750000 0.937589 O\n0.746985 0.937068 0.656417 O\n0.753014 0.562931 0.156417 O\n0.780586 0.250000 0.427415 O\n0.719413 0.250000 0.927415 O\n0.746985 0.562931 0.656417 O\n0.253015 0.437069 0.343583 O\n0.746110 0.750000 0.437589 O\n0.753014 0.937068 0.156417 O\n0.253889 0.250000 0.562411 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.750634436419203,
"density_atomic": 0.0787059638192664,
"volume": 355.7544897651821,
"volume_molar": 7.651441476313949,
"formula_full": "Li4 Si4 Bi4 O16",
"formula_reduced": "LiSiBiO4",
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"spacegroup": 62
},
{
"id": "jvasp-113189",
"created_at": "2022-09-04T14:38:46.218958Z",
"updated_at": "2022-09-04T14:38:46.218989Z",
"structure_string": "K4 Sr4 V4 O16\n1.0\n5.850017 -0.000000 0.000000\n0.000000 7.462465 0.000000\n-0.000000 -0.000000 9.967952\nK Sr V O\n4 4 4 16\ndirect\n0.484735 0.093534 0.577954 K\n0.515265 0.593534 0.922045 K\n0.015265 0.906465 0.077955 K\n0.984736 0.406465 0.422045 K\n0.978445 0.248897 0.801900 Sr\n0.478445 0.251103 0.198100 Sr\n0.521556 0.751103 0.301900 Sr\n0.021556 0.748896 0.698100 Sr\n0.514874 0.024572 0.915747 V\n0.985127 0.975428 0.415747 V\n0.014874 0.475428 0.084253 V\n0.485127 0.524572 0.584253 V\n0.431363 0.749365 0.563396 O\n0.239358 0.016977 0.330823 O\n0.492821 0.427698 0.425919 O\n0.007179 0.572302 0.925918 O\n0.756280 0.058628 0.325636 O\n0.992821 0.072302 0.574081 O\n0.260643 0.983022 0.830822 O\n0.243721 0.558628 0.174364 O\n0.568637 0.249365 0.936604 O\n0.743721 0.941371 0.825636 O\n0.068637 0.250635 0.063396 O\n0.256279 0.441371 0.674364 O\n0.739358 0.483022 0.669177 O\n0.507180 0.927697 0.074081 O\n0.760643 0.516977 0.169177 O\n0.931364 0.750634 0.436604 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.06434468186460321,
"volume": 435.1563981452077,
"volume_molar": 9.359189579446586,
"formula_full": "K4 Sr4 V4 O16",
"formula_reduced": "KSrVO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 19
},
{
"id": "jvasp-117437",
"created_at": "2022-09-04T14:38:26.557026Z",
"updated_at": "2022-09-04T14:38:26.557046Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n5.336577 0.012699 0.575717\n-1.257972 5.889238 -1.489277\n-0.035470 -0.023436 9.081281\nLi Co P O\n4 4 4 16\ndirect\n0.636028 0.006646 0.240885 Li\n0.363979 0.993337 0.759110 Li\n0.189555 0.156466 0.423581 Li\n0.810466 0.843540 0.576410 Li\n0.850005 0.534820 0.277993 Co\n0.149995 0.465174 0.722006 Co\n0.278285 0.340808 0.093169 Co\n0.721715 0.659194 0.906829 Co\n0.679384 0.318748 0.573307 P\n0.320617 0.681252 0.426694 P\n0.804320 0.191116 0.948706 P\n0.195676 0.808886 0.051295 P\n0.800021 0.562270 0.668175 O\n0.199976 0.437733 0.331823 O\n0.404811 0.233073 0.636809 O\n0.595194 0.766922 0.363195 O\n0.872479 0.172943 0.587472 O\n0.127530 0.827063 0.412528 O\n0.693736 0.950189 0.859266 O\n0.608401 0.335175 0.936530 O\n0.151932 0.792065 0.881382 O\n0.848062 0.207933 0.118619 O\n0.077491 0.288013 0.886408 O\n0.922507 0.711991 0.113595 O\n0.654667 0.316943 0.404991 O\n0.391598 0.664832 0.063473 O\n0.306259 0.049815 0.140734 O\n0.345324 0.683050 0.595009 O\n",
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"formula_full": "Li4 Co4 P4 O16",
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"spacegroup": 2
},
{
"id": "jvasp-117042",
"created_at": "2022-09-04T14:38:48.177924Z",
"updated_at": "2022-09-04T14:38:48.177946Z",
"structure_string": "Hf4 Cr4 Cu4 S16\n1.0\n6.031273 0.004852 -0.013333\n-0.016587 7.102939 -1.064425\n0.009222 -1.703453 12.434205\nHf Cr Cu S\n4 4 4 16\ndirect\n0.004345 0.520053 0.751736 Hf\n0.498751 0.250149 0.249396 Hf\n0.497182 0.749575 0.249142 Hf\n0.502799 0.233363 0.750223 Hf\n0.997448 -0.001024 0.248907 Cr\n-0.000319 -0.001179 0.752175 Cr\n0.000708 0.501378 0.250675 Cr\n0.502260 0.753187 0.749874 Cr\n0.926572 0.508190 0.992674 Cu\n0.072295 0.986945 0.501034 Cu\n0.593845 0.481698 0.493226 Cu\n0.407984 0.020052 0.008496 Cu\n0.322223 0.932035 0.633119 S\n0.322247 0.057955 0.370346 S\n0.348907 0.448549 0.631987 S\n0.327998 0.561767 0.370881 S\n0.670825 0.045028 0.868443 S\n0.670709 0.938209 0.128695 S\n0.847983 0.187612 0.633441 S\n0.823354 0.699881 0.631574 S\n0.178003 0.823989 0.869148 S\n0.146854 0.190541 0.134269 S\n0.157213 0.296392 0.869064 S\n0.147459 0.695891 0.133907 S\n0.676935 0.441696 0.128421 S\n0.850502 0.311735 0.366455 S\n0.848069 0.802994 0.363671 S\n0.656829 0.563349 0.869036 S\n",
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],
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"volume": 521.743968166422,
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"formula_full": "Hf4 Cr4 Cu4 S16",
"formula_reduced": "HfCrCuS4",
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},
{
"id": "jvasp-47449",
"created_at": "2022-09-04T14:37:01.290268Z",
"updated_at": "2022-09-04T14:37:01.290299Z",
"structure_string": "Li2 Mn2 Si2 O8\n1.0\n-4.316848 3.932867 0.090502\n4.316848 0.090502 3.932867\n4.316848 3.932867 0.090502\nLi Mn Si O\n2 2 2 8\ndirect\n0.991897 -0.000001 0.008104 Li\n0.258103 0.500000 0.241897 Li\n0.625000 0.249999 0.625001 Mn\n0.125000 0.750000 0.625000 Mn\n0.625000 0.250000 0.125000 Si\n0.625000 0.750000 0.625001 Si\n0.838297 0.211121 0.372825 O\n0.838149 0.736387 0.425465 O\n0.411852 0.236386 0.351761 O\n0.838149 0.263613 0.898240 O\n0.411703 0.288878 0.877176 O\n0.833947 0.711121 0.877176 O\n0.416053 0.788879 0.372825 O\n0.411851 0.763613 0.824536 O\n",
"nsites": 14,
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"elements": [
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],
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"volume": 133.47048412115507,
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"formula_full": "Li2 Mn2 Si2 O8",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
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{
"id": "jvasp-44428",
"created_at": "2022-09-04T14:38:02.084944Z",
"updated_at": "2022-09-04T14:38:02.084969Z",
"structure_string": "Li2 Ti2 V2 O8\n1.0\n5.823155 -0.000000 -0.000000\n2.911578 5.143058 -0.011102\n2.911578 1.703886 4.852621\nLi Ti V O\n2 2 2 8\ndirect\n0.127665 0.122335 0.122334 Li\n0.872334 0.877667 0.877666 Li\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n-0.000000 0.500001 0.500000 V\n0.500000 0.500001 0.500000 V\n0.263270 0.259248 0.259248 O\n0.262808 0.258467 0.715915 O\n0.262808 0.715916 0.258467 O\n0.718232 0.259248 0.259248 O\n0.281767 0.740753 0.740752 O\n0.737191 0.741534 0.284084 O\n0.737191 0.284084 0.741534 O\n0.736729 0.740753 0.740752 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.8761114830379104,
"density_atomic": 0.09625933092383507,
"volume": 145.44044577951058,
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"formula_full": "Li2 Ti2 V2 O8",
"formula_reduced": "LiTiVO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-40692",
"created_at": "2022-09-04T14:38:30.770007Z",
"updated_at": "2022-09-04T14:38:30.770026Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.612330 -0.000000 0.000000\n-0.000000 6.239462 0.000000\n0.000000 0.000000 8.391250\nLi Mn P O\n4 4 4 16\ndirect\n0.750000 0.750028 0.916139 Li\n0.250000 0.749971 0.416139 Li\n0.750000 0.250029 0.583861 Li\n0.250000 0.249971 0.083861 Li\n0.250000 -0.000024 0.749984 Mn\n0.750000 0.500024 0.249984 Mn\n0.250000 0.499976 0.750016 Mn\n0.750000 0.000024 0.250016 Mn\n0.250000 0.250006 0.396181 P\n0.750000 0.249994 0.896181 P\n0.250000 0.750005 0.103819 P\n0.750000 0.749994 0.603819 P\n0.528156 0.249984 0.780941 O\n0.971844 0.249984 0.780941 O\n0.028156 0.250016 0.280941 O\n0.471844 0.250016 0.280941 O\n0.250000 0.453785 0.499022 O\n0.750000 0.453795 0.998997 O\n0.250000 0.546205 0.001003 O\n0.250000 0.953785 0.000978 O\n0.528156 0.749984 0.719059 O\n0.971844 0.749984 0.719059 O\n0.471844 0.750015 0.219059 O\n0.028156 0.750015 0.219059 O\n0.750000 0.046214 0.999022 O\n0.750000 0.953795 0.501003 O\n0.750000 0.546214 0.500978 O\n0.250000 0.046205 0.498997 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.5455020043822283,
"density_atomic": 0.09528861789846282,
"volume": 293.8441192403074,
"volume_molar": 6.3198951698691275,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.545095248768473,
"spacegroup": 63
}
]
}