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"results": [
{
"id": "jvasp-39450",
"created_at": "2022-09-04T14:38:03.187058Z",
"updated_at": "2022-09-04T14:38:03.187083Z",
"structure_string": "Mn4 S6\n1.0\n5.747745 -0.000562 -0.000377\n-2.873376 4.977885 0.000135\n-2.873572 -1.658969 5.292049\nMn S\n4 6\ndirect\n0.684667 0.342333 0.027008 Mn\n0.315334 0.157672 0.472992 Mn\n0.684664 0.842328 0.527009 Mn\n0.315329 0.657666 0.972989 Mn\n0.500005 0.070265 0.250007 S\n0.179739 0.429736 0.249992 S\n0.820251 0.749994 0.250002 S\n0.179747 0.250005 0.749997 S\n0.820257 0.570263 0.750007 S\n0.499994 0.929737 0.749992 S\n",
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{
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"structure_string": "K5 Bi4\n1.0\n6.458410 -0.019132 2.295159\n4.065480 5.018296 2.295159\n-0.031931 -0.015168 11.648083\nK Bi\n5 4\ndirect\n0.907225 0.907226 0.386809 K\n0.092775 0.092775 0.613191 K\n0.246213 0.246213 0.166322 K\n0.753787 0.753787 0.833678 K\n0.000000 0.000000 0.000000 K\n0.614266 0.614266 0.391721 Bi\n0.385734 0.385734 0.608279 Bi\n0.547150 0.547151 0.167741 Bi\n0.452849 0.452850 0.832259 Bi\n",
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{
"id": "jvasp-3951",
"created_at": "2022-09-04T14:36:32.061028Z",
"updated_at": "2022-09-04T14:36:32.061053Z",
"structure_string": "Rb2 Pd1 Br6\n1.0\n6.344235 0.000000 3.662845\n2.114745 5.981402 3.662845\n0.000000 0.000000 7.325691\nRb Pd Br\n2 1 6\ndirect\n0.250000 0.250000 0.250001 Rb\n0.749999 0.750000 0.750002 Rb\n0.000000 0.000000 0.000000 Pd\n0.758080 0.241919 0.241921 Br\n0.758079 0.758080 0.241921 Br\n0.241919 0.241919 0.758081 Br\n0.758080 0.241919 0.758081 Br\n0.241919 0.758080 0.241921 Br\n0.241919 0.758080 0.758081 Br\n",
"nsites": 9,
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"elements": [
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],
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"density": 4.520512399990105,
"density_atomic": 0.032375140385029165,
"volume": 277.99107256263073,
"volume_molar": 18.601126322172625,
"formula_full": "Rb2 Pd1 Br6",
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"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109002",
"created_at": "2022-09-04T14:38:15.494202Z",
"updated_at": "2022-09-04T14:38:15.494229Z",
"structure_string": "Rb2 Tl2 Br6\n1.0\n7.096402 -0.000000 4.097110\n2.365467 6.690552 4.097110\n-0.000000 -0.000000 8.194219\nRb Tl Br\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.757632 0.242368 0.242368 Br\n0.242368 0.242368 0.757632 Br\n0.242369 0.757632 0.757632 Br\n0.242369 0.757632 0.242368 Br\n0.757632 0.242368 0.757632 Br\n0.757632 0.757632 0.242368 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-Rb-Tl",
"density": 4.520527151452409,
"density_atomic": 0.02570350051283409,
"volume": 389.0520668578535,
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"formula_full": "Rb2 Tl2 Br6",
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"formula_anonymous": "ABC3",
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"spacegroup": 225
},
{
"id": "jvasp-43010",
"created_at": "2022-09-04T14:38:14.919234Z",
"updated_at": "2022-09-04T14:38:14.919245Z",
"structure_string": "Li3 Mn4 O8\n1.0\n-0.000000 4.010872 4.010872\n4.010872 -0.000000 4.010872\n4.142272 4.142272 -0.131400\nLi Mn O\n3 4 8\ndirect\n0.144830 0.144830 0.065508 Li\n-0.000000 -0.000000 0.500000 Li\n0.855169 0.855169 0.934491 Li\n0.500000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.724597 0.256322 0.262758 O\n0.256322 0.256322 0.262758 O\n0.256322 0.724597 0.262758 O\n0.266726 0.266726 0.699820 O\n0.743677 0.275403 0.737241 O\n0.733273 0.733273 0.300179 O\n0.743677 0.743677 0.737241 O\n0.275403 0.743677 0.737241 O\n",
"nsites": 15,
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"volume": 135.38808391315652,
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{
"id": "jvasp-16162",
"created_at": "2022-09-04T14:36:48.838147Z",
"updated_at": "2022-09-04T14:36:48.838171Z",
"structure_string": "Sc3 Mn3 Si3\n1.0\n3.262792 -5.651322 0.000000\n3.262792 5.651322 -0.000000\n0.000000 0.000000 3.824163\nSc Mn Si\n3 3 3\ndirect\n0.582839 0.582839 0.500000 Sc\n-0.000000 0.417161 0.500000 Sc\n0.417161 -0.000000 0.500000 Sc\n0.769512 -0.000000 0.000000 Mn\n-0.000000 0.769512 0.000000 Mn\n0.230488 0.230488 0.000000 Mn\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n",
"nsites": 9,
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"Mn",
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],
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"density": 4.52069057871262,
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"volume": 141.02815778066838,
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"formula_full": "Sc3 Mn3 Si3",
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"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-66138",
"created_at": "2022-09-04T14:35:52.400445Z",
"updated_at": "2022-09-04T14:35:52.400469Z",
"structure_string": "Ba1 Mo1 Se1\n1.0\n0.000000 3.856151 3.856151\n3.856151 0.000000 3.856151\n3.856151 3.856151 0.000000\nBa Mo Se\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Se\n",
"nsites": 3,
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"density": 4.520926669356174,
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"formula_full": "Ba1 Mo1 Se1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-44097",
"created_at": "2022-09-04T14:36:14.636174Z",
"updated_at": "2022-09-04T14:36:14.636202Z",
"structure_string": "Zn4 Se4 O16\n1.0\n4.943205 0.000000 0.000000\n0.000000 6.767342 0.000000\n0.000000 0.000000 9.151264\nZn Se O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.527876 0.750000 0.180957 Se\n0.027876 0.250000 0.319043 Se\n0.972123 0.750000 0.680957 Se\n0.472123 0.250000 0.819042 Se\n0.327721 0.458444 0.875017 O\n0.930400 0.750000 0.866036 O\n0.430401 0.250000 0.633963 O\n0.827720 0.541555 0.624983 O\n0.296516 0.750000 0.625396 O\n0.827720 0.958444 0.624983 O\n0.172279 0.458444 0.375017 O\n0.069599 0.250000 0.133963 O\n0.703483 0.250000 0.374603 O\n0.569598 0.750000 0.366037 O\n0.796515 0.250000 0.874603 O\n0.672278 0.541555 0.124983 O\n0.203484 0.750000 0.125396 O\n0.672278 0.958444 0.124983 O\n0.172279 0.041556 0.375017 O\n0.327721 0.041556 0.875017 O\n",
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"elements": [
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"formula_full": "Zn4 Se4 O16",
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},
{
"id": "jvasp-74369",
"created_at": "2022-09-04T14:36:00.122380Z",
"updated_at": "2022-09-04T14:36:00.122406Z",
"structure_string": "Y4 Zr1 Be1\n1.0\n0.000000 4.374599 4.374599\n4.374599 0.000000 4.374599\n4.374599 4.374599 0.000000\nY Zr Be\n4 1 1\ndirect\n0.126231 0.624590 0.624590 Y\n0.624590 0.624590 0.624590 Y\n0.624590 0.126231 0.624590 Y\n0.624590 0.624590 0.126231 Y\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Be\n",
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},
{
"id": "jvasp-34477",
"created_at": "2022-09-04T14:37:19.286789Z",
"updated_at": "2022-09-04T14:37:19.286815Z",
"structure_string": "K2 Th1 Cu2 S4\n1.0\n4.019043 0.000000 0.000000\n-2.009522 6.829810 -2.478878\n0.000000 -0.000868 7.568253\nK Th Cu S\n2 1 2 4\ndirect\n0.137684 0.275367 0.564045 K\n0.862315 0.724632 0.435954 K\n0.000000 0.000000 0.000000 Th\n0.680881 0.361762 0.989377 Cu\n0.319119 0.638237 0.010622 Cu\n0.521804 0.043608 0.758469 S\n0.478196 0.956391 0.241530 S\n0.203018 0.406035 0.179348 S\n0.796982 0.593965 0.820651 S\n",
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{
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"created_at": "2022-09-04T14:38:46.712607Z",
"updated_at": "2022-09-04T14:38:46.712639Z",
"structure_string": "Mg1 Sn1 O1\n1.0\n4.577787 0.000000 0.000000\n-2.288893 3.964480 0.000000\n0.000000 -0.000000 3.217934\nMg Sn O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:05.611840Z",
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"structure_string": "Be2 As1 Se1\n1.0\n0.000000 3.160395 3.160395\n3.160395 -0.000000 3.160395\n3.160395 3.160395 -0.000000\nBe As Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Be\n0.500001 0.500001 0.500001 As\n0.750001 0.750001 0.750001 Se\n",
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}