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{
"id": "jvasp-43805",
"created_at": "2022-09-04T14:35:46.269571Z",
"updated_at": "2022-09-04T14:35:46.269602Z",
"structure_string": "Li4 V4 F16\n1.0\n0.000000 4.513166 -0.000192\n11.490174 0.000000 0.000000\n0.000000 -0.000235 -4.849209\nLi V F\n4 4 16\ndirect\n0.000001 0.947110 0.500000 Li\n0.000000 0.052889 0.000000 Li\n0.500001 0.447110 0.500000 Li\n0.500000 0.552892 -0.000000 Li\n0.000001 0.678972 0.500000 V\n0.000000 0.321028 0.000000 V\n0.500001 0.178970 0.500000 V\n0.500000 0.821030 -0.000000 V\n0.751254 0.066655 0.332160 F\n0.751255 0.933345 0.832159 F\n0.748743 0.433345 0.832162 F\n0.748744 0.566655 0.332160 F\n0.735980 0.692840 0.826583 F\n0.735980 0.307159 0.326584 F\n0.264022 0.307159 0.673416 F\n0.248748 0.066655 0.667840 F\n0.251258 0.566655 0.667840 F\n0.251259 0.433345 0.167838 F\n0.764026 0.807163 0.326587 F\n0.248747 0.933345 0.167840 F\n0.235977 0.192836 0.173413 F\n0.235976 0.807163 0.673413 F\n0.264022 0.692840 0.173417 F\n0.764025 0.192836 0.826587 F\n",
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{
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"structure_string": "Al2 Ag4\n1.0\n5.057840 -0.061883 0.000000\n-2.582513 4.349276 0.000000\n0.000000 0.000000 4.628089\nAl Ag\n2 4\ndirect\n0.016561 0.016561 0.000000 Al\n0.650237 0.650237 0.500000 Al\n0.682308 0.360827 0.000000 Ag\n0.360827 0.682309 0.000000 Ag\n0.305945 0.984458 0.500000 Ag\n0.984458 0.305945 0.500000 Ag\n",
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{
"id": "jvasp-15449",
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"updated_at": "2022-09-04T14:35:43.140416Z",
"structure_string": "Nd2 Ag2 Sn2\n1.0\n2.398251 -4.153893 -0.000000\n2.398251 4.153893 0.000000\n0.000000 -0.000000 7.651703\nNd Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.761068 Nd\n0.000000 0.000000 0.261068 Nd\n0.666667 0.333333 0.958110 Ag\n0.333333 0.666667 0.458110 Ag\n0.333333 0.666667 0.040821 Sn\n0.666667 0.333333 0.540821 Sn\n",
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{
"id": "jvasp-103540",
"created_at": "2022-09-04T14:36:36.170135Z",
"updated_at": "2022-09-04T14:36:36.170153Z",
"structure_string": "Mn2 F6\n1.0\n4.562791 0.046280 2.839795\n1.600360 4.273178 2.839795\n0.066034 0.046280 5.373930\nMn F\n2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.500000 0.500001 Mn\n0.848415 0.651585 0.250001 F\n0.151583 0.348416 0.750001 F\n0.249999 0.848416 0.651585 F\n0.651583 0.250000 0.848417 F\n0.750000 0.151584 0.348417 F\n0.348416 0.750000 0.151585 F\n",
"nsites": 8,
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},
{
"id": "jvasp-22944",
"created_at": "2022-09-04T14:38:28.581224Z",
"updated_at": "2022-09-04T14:38:28.581250Z",
"structure_string": "K8 Ga8 S16\n1.0\n7.341067 0.006048 -0.923365\n-0.122210 7.340047 -0.923365\n-0.006127 -0.006233 14.804676\nK Ga S\n8 8 16\ndirect\n0.672941 0.549488 0.448462 K\n0.242115 0.117890 0.724387 K\n0.672879 0.047722 0.446786 K\n0.047722 0.672880 0.946787 K\n0.744111 0.118610 0.726098 K\n0.118609 0.744112 0.226098 K\n0.549487 0.672942 0.948463 K\n0.117890 0.242115 0.224387 K\n0.808715 0.186561 -0.001606 Ga\n0.186532 0.314079 0.498259 Ga\n0.314079 0.186532 -0.001741 Ga\n0.605421 0.477664 0.174689 Ga\n0.477664 0.605421 0.674689 Ga\n0.982970 0.605340 0.674377 Ga\n0.605339 0.982971 0.174377 Ga\n0.186561 0.808715 0.498394 Ga\n0.840239 0.464948 0.086778 S\n0.037866 0.163562 0.904734 S\n0.163561 0.037867 0.404735 S\n0.839897 0.951648 0.086263 S\n0.537339 0.163202 0.901955 S\n0.326779 0.464945 0.086596 S\n0.464945 0.326779 0.586597 S\n0.628778 0.753964 0.268136 S\n0.753963 0.628779 0.768136 S\n0.951568 0.326862 0.586083 S\n0.326861 0.951567 0.086083 S\n0.254252 0.629624 0.770899 S\n0.629624 0.254252 0.270899 S\n0.464946 0.840239 0.586778 S\n0.951648 0.839898 0.586263 S\n0.163202 0.537339 0.401954 S\n",
"nsites": 32,
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{
"id": "jvasp-115544",
"created_at": "2022-09-04T14:38:44.864784Z",
"updated_at": "2022-09-04T14:38:44.864802Z",
"structure_string": "Ba2 H1 Br1\n1.0\n-0.000000 3.898164 3.898164\n3.898164 -0.000000 3.898164\n3.898164 3.898164 0.000000\nBa H Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"spacegroup": 225
},
{
"id": "jvasp-99685",
"created_at": "2022-09-04T14:36:37.069783Z",
"updated_at": "2022-09-04T14:36:37.069813Z",
"structure_string": "Na1 Li2 Ir1 F6\n1.0\n5.072632 0.000000 2.928685\n1.690877 4.782522 2.928685\n0.000000 0.000000 5.857370\nNa Li Ir F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 Na\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750001 Li\n0.000000 0.000000 0.000000 Ir\n0.243055 0.243055 0.756946 F\n0.243055 0.756945 0.756946 F\n0.756945 0.756945 0.243056 F\n0.243055 0.756945 0.243056 F\n0.756945 0.243055 0.756946 F\n0.756945 0.243055 0.243056 F\n",
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"density": 4.009133144185674,
"density_atomic": 0.0703731527265708,
"volume": 142.09964471613475,
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"formula_full": "Na1 Li2 Ir1 F6",
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{
"id": "jvasp-41215",
"created_at": "2022-09-04T14:37:39.444261Z",
"updated_at": "2022-09-04T14:37:39.444279Z",
"structure_string": "Dy2 Cd1 In1\n1.0\n0.000000 3.725310 3.725310\n3.725310 -0.000000 3.725310\n3.725310 3.725310 -0.000000\nDy Cd In\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 In\n",
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{
"id": "jvasp-39063",
"created_at": "2022-09-04T14:37:53.259802Z",
"updated_at": "2022-09-04T14:37:53.259813Z",
"structure_string": "Sm1 Ga1 Au2\n1.0\n0.000000 3.478358 3.478358\n3.478358 0.000000 3.478358\n3.478358 3.478358 -0.000000\nSm Ga Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-108863",
"created_at": "2022-09-04T14:38:19.893281Z",
"updated_at": "2022-09-04T14:38:19.893304Z",
"structure_string": "Rb2 Na1 Mo1 Cl6\n1.0\n6.276400 -0.000000 3.623681\n2.092133 5.917446 3.623681\n-0.000000 -0.000000 7.247362\nRb Na Mo Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mo\n0.761192 0.238808 0.238807 Cl\n0.238807 0.238808 0.761192 Cl\n0.238807 0.761193 0.761192 Cl\n0.238807 0.761193 0.238807 Cl\n0.761192 0.238808 0.761192 Cl\n0.761192 0.761193 0.238807 Cl\n",
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{
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"structure_string": "Mn6 F18\n1.0\n5.172652 0.000000 0.000000\n-2.586326 4.479155 0.001138\n0.000000 -0.001441 13.433134\nMn F\n6 18\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.666652 0.333330 0.333329 Mn\n0.333322 0.666671 0.166671 Mn\n0.333348 0.666671 0.666671 Mn\n0.666677 0.333330 0.833329 Mn\n0.333376 0.263072 0.416681 F\n0.070304 0.736929 0.083319 F\n0.666624 0.736929 0.583319 F\n0.929696 0.263072 0.916680 F\n0.666732 0.929778 0.083357 F\n0.736956 0.070224 0.416643 F\n0.333268 0.070224 0.916643 F\n0.263044 0.929778 0.583357 F\n-0.000101 0.403535 0.249976 F\n0.403635 0.403535 0.749976 F\n0.403465 0.000000 0.250000 F\n0.596364 0.596466 0.250024 F\n0.263161 0.333377 0.083330 F\n0.929785 0.666624 0.416670 F\n0.736838 0.666624 0.916670 F\n0.070215 0.333377 0.583329 F\n0.000100 0.596466 0.750024 F\n0.596535 0.000000 0.750000 F\n",
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{
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}