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{
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"results": [
{
"id": "jvasp-29426",
"created_at": "2022-09-04T14:37:57.715293Z",
"updated_at": "2022-09-04T14:37:57.715311Z",
"structure_string": "In2 Sb4 S8 Cl2\n1.0\n3.844796 0.000082 0.663944\n1.228525 9.128025 4.350558\n0.030287 -0.002237 11.286913\nIn Sb S Cl\n2 4 8 2\ndirect\n0.837972 0.887582 0.436492 In\n0.162029 0.112418 0.563508 In\n0.549383 0.676744 0.224556 Sb\n0.203074 0.692592 0.901063 Sb\n0.450617 0.323256 0.775444 Sb\n0.796926 0.307408 0.098937 Sb\n0.285938 0.081073 0.347019 S\n0.180956 0.501973 0.136125 S\n0.963866 0.854917 0.217366 S\n0.598268 0.824556 0.978813 S\n0.036135 0.145083 0.782634 S\n0.714063 0.918927 0.652980 S\n0.819045 0.498027 0.863874 S\n0.401733 0.175444 0.021186 S\n0.603676 0.321580 0.470957 Cl\n0.396324 0.678420 0.529043 Cl\n",
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{
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"created_at": "2022-09-04T14:37:57.804037Z",
"updated_at": "2022-09-04T14:37:57.804063Z",
"structure_string": "Li2 Mg4\n1.0\n-3.430257 -0.005489 0.003056\n1.706957 5.442680 -0.003652\n-0.002450 -2.321711 -6.712345\nLi Mg\n2 4\ndirect\n0.298864 0.597702 0.620135 Li\n0.645621 0.291201 0.768756 Li\n0.980016 0.960034 0.925270 Mg\n0.304639 0.609329 0.097118 Mg\n0.639763 0.279543 0.291752 Mg\n0.964427 0.928857 0.463633 Mg\n",
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"spacegroup": 12
},
{
"id": "jvasp-56687",
"created_at": "2022-09-04T14:37:57.886790Z",
"updated_at": "2022-09-04T14:37:57.886812Z",
"structure_string": "K2 Na6 W2 O10\n1.0\n5.759876 0.006016 1.101424\n0.893357 5.690178 1.101424\n0.003676 0.003147 9.081838\nK Na W O\n2 6 2 10\ndirect\n0.749429 0.250572 0.499999 K\n0.250572 0.749429 0.499999 K\n0.648876 0.156822 0.888065 Na\n0.843180 0.351126 0.111934 Na\n0.351126 0.843180 0.111934 Na\n0.190288 0.190288 0.727891 Na\n0.156822 0.648875 0.888065 Na\n0.809713 0.809713 0.272108 Na\n0.308856 0.308856 0.259393 W\n0.691145 0.691145 0.740606 W\n0.902975 0.902974 0.748599 O\n0.254541 0.254541 0.468240 O\n0.745461 0.745461 0.531759 O\n0.444604 0.883543 0.845003 O\n0.097027 0.097027 0.251400 O\n0.477114 0.477114 0.741838 O\n0.883544 0.444604 0.845003 O\n0.116458 0.555397 0.154995 O\n0.522887 0.522887 0.258161 O\n0.555397 0.116458 0.154995 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "K2 Na6 W2 O10",
"formula_reduced": "KNa3WO5",
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"spacegroup": 12
},
{
"id": "jvasp-30504",
"created_at": "2022-09-04T14:37:57.988716Z",
"updated_at": "2022-09-04T14:37:57.988731Z",
"structure_string": "H1 Au1 O2\n1.0\n1.639206 2.368458 1.140015\n-0.509073 0.088065 -3.659790\n-3.683926 2.585521 -0.074546\nH Au O\n1 1 2\ndirect\n-0.000001 0.000000 0.500000 H\n0.500001 0.000001 -0.000000 Au\n0.084867 0.169736 0.718932 O\n0.915133 0.830266 0.281067 O\n",
"nsites": 4,
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"elements": [
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"volume": 46.21211247347878,
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"formula_full": "H1 Au1 O2",
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"spacegroup": 12
},
{
"id": "jvasp-30237",
"created_at": "2022-09-04T14:37:58.450611Z",
"updated_at": "2022-09-04T14:37:58.450638Z",
"structure_string": "Mn1 Co2 O6\n1.0\n5.471189 -2.781628 -0.044526\n-0.000000 -1.474996 2.411519\n-3.057709 -3.863914 -2.363350\nMn Co O\n1 2 6\ndirect\n0.333333 0.333333 0.333333 Mn\n-0.000338 0.000168 0.997866 Co\n0.667004 0.666497 0.668801 Co\n0.020012 0.489995 0.231800 O\n0.344446 0.827777 0.561207 O\n0.685230 0.157384 0.896116 O\n0.322220 0.838890 0.105460 O\n0.646656 0.176672 0.434867 O\n0.981437 0.509281 0.770550 O\n",
"nsites": 9,
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],
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"volume": 90.7639671921389,
"volume_molar": 6.073259848523138,
"formula_full": "Mn1 Co2 O6",
"formula_reduced": "Mn(CoO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.194782226819924,
"spacegroup": 12
},
{
"id": "jvasp-26480",
"created_at": "2022-09-04T14:37:58.524887Z",
"updated_at": "2022-09-04T14:37:58.524909Z",
"structure_string": "Na1 Hf2 V1 F11\n1.0\n5.323908 0.012924 2.011940\n1.014261 5.226417 2.011940\n0.002975 0.002459 7.763497\nNa Hf V F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.504056 0.504055 0.765712 Hf\n0.495945 0.495945 0.234288 Hf\n0.000000 0.000000 0.500000 V\n0.806988 0.220830 0.692155 F\n0.779170 0.193013 0.307845 F\n0.193013 0.779170 0.307845 F\n0.220831 0.806987 0.692155 F\n0.500001 0.500000 0.500000 F\n0.330314 0.669686 0.000000 F\n0.669686 0.330314 0.000000 F\n0.251169 0.251168 0.351508 F\n0.748832 0.748832 0.648492 F\n0.266249 0.266248 0.891119 F\n0.733752 0.733752 0.108881 F\n",
"nsites": 15,
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"elements": [
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"V",
"F"
],
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"density": 4.922381324770231,
"density_atomic": 0.06948796264489314,
"volume": 215.8647257605615,
"volume_molar": 8.66645175765933,
"formula_full": "Na1 Hf2 V1 F11",
"formula_reduced": "NaHf2VF11",
"formula_anonymous": "ABC2D11",
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"spacegroup": 12
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{
"id": "jvasp-29402",
"created_at": "2022-09-04T14:37:58.966544Z",
"updated_at": "2022-09-04T14:37:58.966575Z",
"structure_string": "Hg2 Bi4 S8\n1.0\n4.030797 -0.000732 0.663312\n1.979477 7.195632 0.541700\n0.000234 -0.090638 12.565539\nHg Bi S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.349022 0.442142 0.859490 Bi\n0.779113 0.075532 0.366155 Bi\n0.650978 0.557858 0.140509 Bi\n0.220888 0.924468 0.633845 Bi\n-0.001871 0.834352 0.170034 S\n0.691206 0.681076 0.936681 S\n0.156305 0.361209 0.326350 S\n0.308795 0.318924 0.063319 S\n0.001871 0.165647 0.829966 S\n0.374681 0.825608 0.424493 S\n0.843695 0.638791 0.673650 S\n0.625320 0.174392 0.575507 S\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Bi-Hg-S",
"density": 6.803530275772945,
"density_atomic": 0.03840366515836367,
"volume": 364.5485383300983,
"volume_molar": 15.681161511972196,
"formula_full": "Hg2 Bi4 S8",
"formula_reduced": "Hg(BiS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 12
},
{
"id": "jvasp-8197",
"created_at": "2022-09-04T14:37:58.695629Z",
"updated_at": "2022-09-04T14:37:58.695640Z",
"structure_string": "Tm2 Fe2 Si2 C1\n1.0\n3.643209 0.000000 1.340605\n1.461039 5.140602 1.650172\n0.009471 -0.017801 5.594930\nTm Fe Si C\n2 2 2 1\ndirect\n0.559511 0.173076 0.707903 Tm\n0.440490 0.826924 0.292097 Tm\n0.201917 0.693267 0.902899 Fe\n0.798084 0.306732 0.097101 Fe\n0.159403 0.391632 0.289563 Si\n0.840597 0.608368 0.710438 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
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"Si",
"C"
],
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"density": 8.204264803005998,
"density_atomic": 0.06680005066086614,
"volume": 104.79033968908126,
"volume_molar": 9.015173941369458,
"formula_full": "Tm2 Fe2 Si2 C1",
"formula_reduced": "Tm2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
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{
"id": "jvasp-36762",
"created_at": "2022-09-04T14:37:58.870057Z",
"updated_at": "2022-09-04T14:37:58.870091Z",
"structure_string": "Ag2 Bi2 O4\n1.0\n-1.506216 -3.113707 -0.974965\n0.010678 0.014001 6.561809\n-5.785925 3.085503 -0.915421\nAg Bi O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500001 0.000001 0.500000 Ag\n0.241472 0.482942 0.741120 Bi\n0.758531 0.517060 0.258881 Bi\n0.663101 0.326199 0.514357 O\n0.336902 0.673802 0.485644 O\n0.161815 0.323630 0.111023 O\n0.838188 0.676372 0.888977 O\n",
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"volume": 148.5887596195547,
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},
{
"id": "jvasp-38301",
"created_at": "2022-09-04T14:37:58.877009Z",
"updated_at": "2022-09-04T14:37:58.877025Z",
"structure_string": "Rb1 Ti5 Se8\n1.0\n-0.000000 3.615289 0.000000\n-2.257061 0.000000 8.923270\n9.452106 -1.807644 -0.028626\nRb Ti Se\n1 5 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ti\n0.656504 -0.001383 0.313005 Ti\n0.707921 0.348394 0.415840 Ti\n0.292081 0.651605 0.584161 Ti\n0.343499 0.001382 0.686995 Ti\n0.573667 0.174524 0.147334 Se\n0.087898 0.822858 0.175796 Se\n0.161740 0.499556 0.323478 Se\n0.242924 0.165298 0.485845 Se\n0.757079 0.834701 0.514155 Se\n0.838263 0.500444 0.676523 Se\n0.912104 0.177142 0.824205 Se\n0.426334 0.825476 0.852665 Se\n",
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"density_atomic": 0.04594785193014866,
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"spacegroup": 12
},
{
"id": "jvasp-40729",
"created_at": "2022-09-04T14:37:59.596479Z",
"updated_at": "2022-09-04T14:37:59.596505Z",
"structure_string": "Li3 Al2 Cr1 O6\n1.0\n2.475080 4.287669 0.014525\n-2.475080 4.287669 -0.014525\n-1.680056 0.000000 4.742360\nLi Al Cr O\n3 2 1 6\ndirect\n0.165795 0.165795 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.834205 0.834206 0.500000 Li\n0.333225 0.333225 -0.000000 Al\n0.666776 0.666776 -0.000000 Al\n0.000000 0.000000 0.000000 Cr\n0.270926 0.729075 0.779847 O\n0.417453 0.926717 0.219022 O\n0.073283 0.582548 0.219022 O\n0.926716 0.417453 0.780978 O\n0.582547 0.073284 0.780978 O\n0.729074 0.270926 0.220153 O\n",
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],
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"volume": 100.86418205650736,
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"formula_full": "Li3 Al2 Cr1 O6",
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{
"id": "jvasp-38736",
"created_at": "2022-09-04T14:37:59.845350Z",
"updated_at": "2022-09-04T14:37:59.845370Z",
"structure_string": "Na1 Ti5 Se8\n1.0\n-0.000000 3.578373 -0.000000\n-2.315799 0.000000 8.731896\n9.447702 -1.789187 -0.038036\nNa Ti Se\n1 5 8\ndirect\n0.500000 0.500000 -0.000000 Na\n0.000000 0.000000 0.000000 Ti\n0.649016 0.985489 0.298031 Ti\n0.709182 0.348584 0.418364 Ti\n0.290817 0.651416 0.581635 Ti\n0.350983 0.014512 0.701968 Ti\n0.574459 0.175828 0.148917 Se\n0.080773 0.802157 0.161545 Se\n0.160041 0.499427 0.320082 Se\n0.239933 0.156549 0.479867 Se\n0.760066 0.843451 0.520132 Se\n0.839958 0.500573 0.679917 Se\n0.919227 0.197843 0.838455 Se\n0.425540 0.824173 0.851083 Se\n",
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],
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"density": 5.034224055469383,
"density_atomic": 0.04747572910604342,
"volume": 294.8875196572362,
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"formula_full": "Na1 Ti5 Se8",
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"formula_anonymous": "AB5C8",
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"spacegroup": 12
}
]
}