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{
"id": "jvasp-43130",
"created_at": "2022-09-04T14:37:03.080026Z",
"updated_at": "2022-09-04T14:37:03.080053Z",
"structure_string": "Li4 Mn2 Ni4 O12\n1.0\n4.927291 0.075966 0.000000\n-2.410466 4.298095 0.000000\n0.000000 -0.000000 9.760346\nLi Mn Ni O\n4 2 4 12\ndirect\n0.138259 0.638260 0.750000 Li\n0.361740 0.861742 0.250000 Li\n0.638260 0.138260 0.750000 Li\n0.861741 0.361742 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.163742 0.836259 0.500000 Ni\n0.336258 0.663743 0.000000 Ni\n0.663742 0.336259 0.000000 Ni\n0.836258 0.163743 0.500000 Ni\n0.518672 0.181475 0.393788 O\n0.825129 0.825131 0.401245 O\n0.318526 0.981329 0.893788 O\n0.674871 0.674872 0.901245 O\n0.325129 0.325130 0.098756 O\n0.018672 0.681475 0.106212 O\n0.481328 0.818527 0.606213 O\n0.181474 0.518673 0.393788 O\n0.981328 0.318527 0.893788 O\n0.818526 0.481329 0.606213 O\n0.174871 0.174871 0.598756 O\n0.681474 0.018673 0.106212 O\n",
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{
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"structure_string": "Li2 Pm1 Si1\n1.0\n-0.000000 3.256426 3.256426\n3.256426 0.000000 3.256426\n3.256426 3.256426 0.000000\nLi Pm Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.500001 Li\n0.250001 0.250001 0.250001 Pm\n0.750001 0.750001 0.750001 Si\n",
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{
"id": "jvasp-111675",
"created_at": "2022-09-04T14:38:40.722473Z",
"updated_at": "2022-09-04T14:38:40.722499Z",
"structure_string": "In2 As2 H4 O10\n1.0\n5.505528 0.000641 -0.435932\n-1.769789 5.411117 -0.848389\n-0.011651 -0.054934 6.749738\nIn As H O\n2 2 4 10\ndirect\n0.631012 0.725988 0.221474 In\n0.368989 0.274013 0.778526 In\n0.738017 0.879649 0.742824 As\n0.261984 0.120352 0.257176 As\n0.891555 0.362302 0.271964 H\n0.108446 0.637699 0.728037 H\n0.071462 0.615673 0.210947 H\n0.928539 0.384328 0.789054 H\n0.940907 0.071456 0.270021 O\n0.059093 0.928545 0.729980 O\n0.458409 0.240490 0.479223 O\n0.541592 0.759511 0.520778 O\n0.651525 0.651881 0.891718 O\n0.691367 0.147829 0.859599 O\n0.348476 0.348120 0.108283 O\n0.917985 0.542631 0.276367 O\n0.308634 0.852172 0.140402 O\n0.082015 0.457370 0.723634 O\n",
"nsites": 18,
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"elements": [
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],
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"volume": 200.76303461783806,
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"formula_full": "In2 As2 H4 O10",
"formula_reduced": "InAsH2O5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 2
},
{
"id": "jvasp-19947",
"created_at": "2022-09-04T14:38:16.923417Z",
"updated_at": "2022-09-04T14:38:16.923434Z",
"structure_string": "Ca2 Zn4\n1.0\n4.185114 -0.000000 1.804985\n2.016199 5.261066 1.079542\n0.007657 -0.016628 5.736632\nCa Zn\n2 4\ndirect\n0.547072 0.702928 0.202927 Ca\n0.452928 0.297072 0.797071 Ca\n0.164494 0.278393 0.392620 Zn\n0.835506 0.721607 0.607379 Zn\n0.164494 0.892621 0.778392 Zn\n0.835505 0.107380 0.221606 Zn\n",
"nsites": 6,
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"elements": [
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],
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},
{
"id": "jvasp-116636",
"created_at": "2022-09-04T14:38:44.415541Z",
"updated_at": "2022-09-04T14:38:44.415567Z",
"structure_string": "Ti9 O10\n1.0\n5.064735 0.023325 0.539945\n-2.674692 4.300942 0.539945\n0.037034 0.067006 10.006371\nTi O\n9 10\ndirect\n0.841469 0.158529 0.500000 Ti\n0.574852 0.895840 0.255301 Ti\n0.351964 0.648035 -0.000000 Ti\n0.104159 0.425147 0.744698 Ti\n0.425146 0.104159 0.744698 Ti\n0.158530 0.841470 0.500000 Ti\n0.895840 0.574852 0.255301 Ti\n0.648035 0.351963 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.059201 0.712042 0.880688 O\n0.287958 0.940798 0.119311 O\n0.549641 0.191055 0.375568 O\n0.808943 0.450358 0.624431 O\n0.450358 0.808944 0.624431 O\n0.940797 0.287957 0.119311 O\n0.191055 0.549642 0.375568 O\n0.397371 0.397372 0.863865 O\n0.712041 0.059202 0.880688 O\n0.602628 0.602628 0.136134 O\n",
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"spacegroup": 12
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{
"id": "jvasp-113128",
"created_at": "2022-09-04T14:38:46.517062Z",
"updated_at": "2022-09-04T14:38:46.517090Z",
"structure_string": "Nb1 Cr3 Ag2 S8\n1.0\n6.952682 0.000000 0.000000\n0.000000 5.952995 0.359247\n0.000000 0.163548 6.445167\nNb Cr Ag S\n1 3 2 8\ndirect\n0.500000 0.000000 0.500000 Nb\n0.250988 0.500001 0.500000 Cr\n0.749011 0.500001 0.500000 Cr\n-0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n-0.000000 0.317997 0.700921 S\n0.500000 0.329238 0.718388 S\n0.242763 0.807106 0.719235 S\n0.757237 0.807106 0.719235 S\n0.242763 0.192895 0.280766 S\n0.757237 0.192895 0.280766 S\n0.500000 0.670763 0.281613 S\n-0.000000 0.682004 0.299080 S\n",
"nsites": 14,
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"density_atomic": 0.05256195797409956,
"volume": 266.3523304611035,
"volume_molar": 11.457223041362866,
"formula_full": "Nb1 Cr3 Ag2 S8",
"formula_reduced": "NbCr3(AgS4)2",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 10
},
{
"id": "jvasp-36261",
"created_at": "2022-09-04T14:36:37.105941Z",
"updated_at": "2022-09-04T14:36:37.105966Z",
"structure_string": "Mg1 Ni1 H1\n1.0\n3.093901 0.000000 0.000000\n0.000000 3.093901 0.000000\n0.000000 -0.000000 3.241276\nMg Ni H\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500001 Ni\n0.500000 0.500000 0.000000 H\n",
"nsites": 3,
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},
{
"id": "jvasp-114763",
"created_at": "2022-09-04T14:38:43.664525Z",
"updated_at": "2022-09-04T14:38:43.664551Z",
"structure_string": "Ag1 Sb1 S2\n1.0\n2.016394 1.164165 7.703042\n-2.016394 1.164165 7.703042\n0.000000 -2.328331 7.703042\nAg Sb S\n1 1 2\ndirect\n0.500002 0.500002 0.499997 Ag\n0.000000 0.000000 0.000000 Sb\n0.398199 0.398199 0.398195 S\n0.601805 0.601805 0.601799 S\n",
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},
{
"id": "jvasp-61546",
"created_at": "2022-09-04T14:36:12.310051Z",
"updated_at": "2022-09-04T14:36:12.310086Z",
"structure_string": "Li2 As2 Se4\n1.0\n5.529001 0.000075 -0.000025\n-0.000110 5.589090 -0.003743\n-2.764520 -2.420636 5.732687\nLi As Se\n2 2 4\ndirect\n0.734261 0.992432 0.994156 Li\n0.259872 0.492401 0.994152 Li\n0.990288 0.668547 0.431450 As\n0.441177 0.168545 0.431449 As\n0.027929 0.263590 0.517091 Se\n0.489177 0.763595 0.517096 Se\n0.770020 0.510662 0.020145 Se\n0.250116 0.010652 0.020142 Se\n",
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{
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"created_at": "2022-09-04T14:36:50.491377Z",
"updated_at": "2022-09-04T14:36:50.491396Z",
"structure_string": "K2 Bi1 Au1 Br6\n1.0\n6.888433 -0.000000 3.977038\n2.296144 6.494477 3.977038\n-0.000000 -0.000000 7.954077\nK Bi Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Bi\n0.499999 0.500000 0.500001 Au\n0.745808 0.254191 0.254192 Br\n0.254191 0.254191 0.745809 Br\n0.254190 0.745809 0.745810 Br\n0.254190 0.745809 0.254191 Br\n0.745808 0.254191 0.745810 Br\n0.745808 0.745809 0.254192 Br\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:38:31.992986Z",
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{
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"created_at": "2022-09-04T14:37:29.747365Z",
"updated_at": "2022-09-04T14:37:29.747378Z",
"structure_string": "Ca2 Pd2 F8\n1.0\n5.055321 -0.000000 -2.340491\n-1.083590 4.937823 -2.340491\n-0.014110 -0.017542 6.599363\nCa Pd F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 Ca\n0.750000 0.750000 0.500000 Ca\n-0.000000 0.500000 -0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.960045 0.460045 0.272855 F\n0.687190 0.187190 0.727145 F\n0.039955 0.539955 0.727145 F\n0.187190 0.039955 0.727145 F\n0.312810 0.812810 0.272855 F\n0.460045 0.312810 0.272855 F\n0.812810 0.960045 0.272855 F\n0.539955 0.687190 0.727145 F\n",
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}
]
}