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"results": [
{
"id": "jvasp-10571",
"created_at": "2022-09-04T14:37:15.302444Z",
"updated_at": "2022-09-04T14:37:15.302452Z",
"structure_string": "Rb2 Sb4 Se8\n1.0\n6.473446 0.147010 -0.005126\n1.835547 6.891353 -0.052938\n0.816405 1.464322 9.575227\nRb Sb Se\n2 4 8\ndirect\n0.175400 0.185223 0.560155 Rb\n0.824601 0.814776 0.439845 Rb\n0.844072 0.812856 0.955276 Sb\n0.155929 0.187144 0.044724 Sb\n0.446196 0.598505 0.167275 Sb\n0.553805 0.401494 0.832725 Sb\n0.228302 0.852447 0.880265 Se\n0.771698 0.147552 0.119735 Se\n0.320611 0.933091 0.273628 Se\n0.679390 0.066908 0.726372 Se\n0.390971 0.600292 0.584256 Se\n0.609030 0.399707 0.415744 Se\n0.084934 0.491330 0.212880 Se\n0.915067 0.508670 0.787120 Se\n",
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{
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"updated_at": "2022-09-04T14:36:08.780455Z",
"structure_string": "Sr4 Co2 Se4 Cl4 O12\n1.0\n5.377288 0.000000 -0.250177\n0.000000 6.439534 0.000000\n-0.054835 0.000000 12.280490\nSr Co Se Cl O\n4 2 4 4 12\ndirect\n0.012385 0.302838 0.234444 Sr\n0.987614 0.697162 0.765556 Sr\n0.487614 0.802838 0.265556 Sr\n0.512385 0.197162 0.734444 Sr\n-0.000000 0.000000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.992746 0.763863 0.072093 Se\n0.492745 0.736136 0.572093 Se\n0.507254 0.263863 0.427906 Se\n0.007254 0.236137 0.927907 Se\n0.049087 0.330918 0.605052 Cl\n0.549087 0.169082 0.105052 Cl\n0.450912 0.830918 0.894948 Cl\n0.950913 0.669081 0.394948 Cl\n0.222150 0.573718 0.103533 O\n0.257034 0.377833 0.878785 O\n0.437776 0.429961 0.322612 O\n0.742965 0.622166 0.121215 O\n0.242964 0.877833 0.621215 O\n0.722150 0.926281 0.603533 O\n0.777849 0.426281 0.896466 O\n0.562224 0.570039 0.677388 O\n0.277850 0.073718 0.396467 O\n0.937775 0.070039 0.822612 O\n0.757035 0.122166 0.378785 O\n0.062224 0.929960 0.177388 O\n",
"nsites": 26,
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"density_atomic": 0.0611547429817332,
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"formula_full": "Sr4 Co2 Se4 Cl4 O12",
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{
"id": "jvasp-20802",
"created_at": "2022-09-04T14:38:36.652191Z",
"updated_at": "2022-09-04T14:38:36.652212Z",
"structure_string": "Hf16 Fe8\n1.0\n7.309634 -0.000000 4.220219\n2.436544 6.891589 4.220219\n0.000000 -0.000000 8.440438\nHf Fe\n16 8\ndirect\n0.500000 0.000000 0.500000 Hf\n0.687100 0.062900 0.687101 Hf\n0.687100 0.687101 0.062900 Hf\n0.062899 0.062900 0.687101 Hf\n0.062899 0.687101 0.062900 Hf\n0.312899 0.937101 0.312900 Hf\n0.937100 0.312900 0.937101 Hf\n0.937100 0.312900 0.312900 Hf\n0.312899 0.312900 0.937101 Hf\n0.937099 0.937101 0.312900 Hf\n0.687100 0.062900 0.062900 Hf\n0.062899 0.687101 0.687101 Hf\n-0.000000 0.500000 0.500000 Hf\n0.499999 0.500000 0.000000 Hf\n0.499999 0.500000 0.500000 Hf\n0.312899 0.937101 0.937101 Hf\n0.282744 0.282744 0.282745 Fe\n0.717255 0.717256 0.348234 Fe\n0.717255 0.348233 0.717256 Fe\n0.348232 0.717256 0.717256 Fe\n0.282744 0.651767 0.282745 Fe\n0.651766 0.282744 0.282745 Fe\n0.282744 0.282744 0.651767 Fe\n0.717255 0.717256 0.717256 Fe\n",
"nsites": 24,
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"formula_full": "Hf16 Fe8",
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{
"id": "jvasp-97618",
"created_at": "2022-09-04T14:36:06.219756Z",
"updated_at": "2022-09-04T14:36:06.219776Z",
"structure_string": "Np8 S12\n1.0\n3.876281 0.000000 0.000000\n-0.000000 10.383823 0.000000\n0.000000 0.000000 10.563936\nNp S\n8 12\ndirect\n0.250000 0.316643 0.991871 Np\n0.750000 0.683357 0.008129 Np\n0.750000 0.816642 0.508129 Np\n0.250000 0.183357 0.491871 Np\n0.250000 0.508095 0.312794 Np\n0.750000 0.491904 0.687207 Np\n0.750000 0.008096 0.187206 Np\n0.250000 0.991904 0.812794 Np\n0.750000 0.796817 0.771772 S\n0.250000 0.203183 0.228228 S\n0.250000 0.944445 0.374986 S\n0.750000 0.055555 0.625015 S\n0.750000 0.444445 0.125014 S\n0.750000 0.130527 0.949432 S\n0.250000 0.630527 0.550568 S\n0.750000 0.369473 0.449432 S\n0.750000 0.703183 0.271772 S\n0.250000 0.869473 0.050568 S\n0.250000 0.555555 0.874986 S\n0.250000 0.296817 0.728228 S\n",
"nsites": 20,
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"elements": [
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"density": 8.907056412994159,
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{
"id": "jvasp-10773",
"created_at": "2022-09-04T14:37:26.992213Z",
"updated_at": "2022-09-04T14:37:26.992225Z",
"structure_string": "K2 Pr2 Te8\n1.0\n6.970719 0.000000 0.000000\n0.000000 6.970719 0.000000\n0.000000 -0.000000 8.750876\nK Pr Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.500000 Pr\n0.356059 0.856059 0.278712 Te\n0.143941 0.356059 0.278712 Te\n0.856059 0.643941 0.278712 Te\n0.356059 0.143941 0.721289 Te\n0.643941 0.856059 0.721289 Te\n0.643941 0.143941 0.278712 Te\n0.856059 0.356059 0.721289 Te\n0.143941 0.643941 0.721289 Te\n",
"nsites": 12,
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},
{
"id": "jvasp-120727",
"created_at": "2022-09-04T14:38:53.619593Z",
"updated_at": "2022-09-04T14:38:53.619626Z",
"structure_string": "K1 La2 Ag3 Te8\n1.0\n4.459547 0.000000 0.000000\n0.000000 4.459547 0.000000\n0.000000 0.000000 21.383240\nK La Ag Te\n1 2 3 8\ndirect\n0.000000 0.000000 0.737237 K\n0.000000 0.000000 0.197999 La\n0.500000 0.500000 -0.002231 La\n-0.000000 0.500000 0.584207 Ag\n0.500000 0.000000 0.584207 Ag\n0.500000 0.500000 0.495586 Ag\n0.500000 0.500000 0.670292 Te\n0.500000 0.000000 0.319962 Te\n0.500000 0.000000 0.875577 Te\n-0.000000 0.500000 0.319962 Te\n0.000000 0.000000 0.039902 Te\n0.500000 0.500000 0.154317 Te\n-0.000000 0.500000 0.875577 Te\n0.000000 0.000000 0.487343 Te\n",
"nsites": 14,
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],
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"density_atomic": 0.03292100119278719,
"volume": 425.2604566311708,
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"formula_full": "K1 La2 Ag3 Te8",
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"formula_anonymous": "AB2C3D8",
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},
{
"id": "jvasp-11441",
"created_at": "2022-09-04T14:37:16.550005Z",
"updated_at": "2022-09-04T14:37:16.550020Z",
"structure_string": "Ba2 Nd4 Zn2 S10\n1.0\n7.054693 0.000000 -3.520565\n-1.756899 6.832423 -3.520565\n-0.001661 -0.002142 8.825236\nBa Nd Zn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.750000 0.750000 0.499999 Ba\n0.338746 0.161254 -0.000000 Nd\n0.161254 0.661254 -0.000001 Nd\n0.661253 0.838746 -0.000001 Nd\n0.838746 0.338746 -0.000001 Nd\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.500000 0.500000 -0.000001 S\n0.484204 0.984204 0.268323 S\n0.984204 0.784118 0.268322 S\n0.284118 0.484204 0.268323 S\n0.015796 0.215882 0.731677 S\n0.715881 0.515796 0.731676 S\n0.515796 0.015796 0.731677 S\n0.215881 0.715882 0.731676 S\n0.784118 0.284118 0.268323 S\n0.000000 0.000000 0.000000 S\n",
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},
{
"id": "jvasp-35267",
"created_at": "2022-09-04T14:38:03.020727Z",
"updated_at": "2022-09-04T14:38:03.020751Z",
"structure_string": "Na8 Zn4 S8\n1.0\n0.000000 6.853022 0.031372\n7.055452 0.000000 0.000000\n0.000000 -0.529329 -8.799031\nNa Zn S\n8 4 8\ndirect\n0.546607 0.674967 0.678225 Na\n0.953392 0.174967 0.321775 Na\n0.453392 0.325033 0.321775 Na\n0.046607 0.825033 0.678225 Na\n0.512219 0.764262 0.052873 Na\n0.987781 0.264263 0.947127 Na\n0.487781 0.235737 0.947127 Na\n0.012219 0.735737 0.052873 Na\n0.344237 0.903463 0.370420 Zn\n0.155762 0.403463 0.629580 Zn\n0.655762 0.096536 0.629580 Zn\n0.844237 0.596536 0.370420 Zn\n0.302624 0.106654 0.591571 S\n0.197375 0.606654 0.408429 S\n0.697375 0.893346 0.408430 S\n0.802624 0.393346 0.591571 S\n0.246252 0.044452 0.143656 S\n0.253748 0.544452 0.856344 S\n0.753748 0.955547 0.856344 S\n0.746252 0.455547 0.143657 S\n",
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},
{
"id": "jvasp-122032",
"created_at": "2022-09-04T14:38:54.812887Z",
"updated_at": "2022-09-04T14:38:54.812912Z",
"structure_string": "Pd6 Cl12\n1.0\n4.776606 -0.312408 0.468250\n1.245283 9.707716 0.904892\n0.051339 -0.218193 9.085076\nPd Cl\n6 12\ndirect\n0.534693 0.823011 0.076658 Pd\n0.014975 0.291607 0.170407 Pd\n0.256469 0.434721 0.621479 Pd\n0.465307 0.176989 0.923342 Pd\n0.985025 0.708394 0.829593 Pd\n0.743532 0.565279 0.378521 Pd\n0.349937 0.533741 0.839091 Cl\n0.146532 0.040559 0.554999 Cl\n0.029294 0.359761 0.418123 Cl\n0.650063 0.466259 0.160909 Cl\n0.475891 0.766952 0.332112 Cl\n0.524109 0.233049 0.667888 Cl\n0.616999 0.877994 0.820111 Cl\n0.970706 0.640240 0.581878 Cl\n0.045805 0.783466 0.068102 Cl\n0.383001 0.122006 0.179889 Cl\n-0.045806 0.216534 -0.068102 Cl\n0.853469 0.959442 0.445001 Cl\n",
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},
{
"id": "jvasp-19088",
"created_at": "2022-09-04T14:37:02.909296Z",
"updated_at": "2022-09-04T14:37:02.909312Z",
"structure_string": "Ag10 Sb2 S8\n1.0\n7.321709 0.018803 0.000000\n-3.157197 6.606049 -0.000000\n-0.000000 -0.000000 8.785371\nAg Sb S\n10 2 8\ndirect\n0.559448 0.804966 0.488909 Ag\n0.868574 0.744810 0.669288 Ag\n0.440552 0.195034 0.988909 Ag\n0.857615 0.142385 0.831818 Ag\n0.142385 0.857615 0.331818 Ag\n0.255190 0.131426 0.669288 Ag\n0.744809 0.868574 0.169288 Ag\n0.195034 0.440552 0.488909 Ag\n0.131426 0.255190 0.169288 Ag\n0.804966 0.559448 0.988909 Ag\n0.325841 0.674159 0.898569 Sb\n0.674159 0.325841 0.398569 Sb\n0.499628 0.967407 0.725684 S\n0.500372 0.032593 0.225684 S\n0.028814 0.971186 0.978606 S\n0.971185 0.028814 0.478606 S\n0.516052 0.483948 0.797747 S\n0.483948 0.516052 0.297747 S\n0.032593 0.500372 0.725684 S\n0.967407 0.499628 0.225684 S\n",
"nsites": 20,
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],
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"volume": 425.44857449212213,
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"formula_full": "Ag10 Sb2 S8",
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"spacegroup": 36
},
{
"id": "jvasp-57528",
"created_at": "2022-09-04T14:38:32.238525Z",
"updated_at": "2022-09-04T14:38:32.238550Z",
"structure_string": "Ba6 Cu4 Cl4 O8\n1.0\n6.033761 0.000000 0.000000\n0.000000 6.604266 -0.000000\n0.000000 0.000000 10.676687\nBa Cu Cl O\n6 4 4 8\ndirect\n0.500000 0.750000 0.449530 Ba\n0.000000 0.750000 0.211363 Ba\n0.000000 0.250000 0.788637 Ba\n0.500000 0.250000 0.550470 Ba\n0.500000 0.250000 0.200396 Ba\n0.500000 0.750000 0.799604 Ba\n0.000000 0.250000 0.331567 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.750000 0.668434 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.250000 0.085186 Cl\n0.500000 0.750000 0.115838 Cl\n0.000000 0.750000 0.914814 Cl\n0.500000 0.250000 0.884162 Cl\n0.776852 0.030432 0.360494 O\n0.223147 0.469568 0.360494 O\n0.223147 0.030432 0.360494 O\n0.776852 0.969569 0.639506 O\n0.223147 0.969569 0.639506 O\n0.776852 0.469568 0.360494 O\n0.223147 0.530432 0.639506 O\n0.776852 0.530432 0.639506 O\n",
"nsites": 22,
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],
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"density": 5.261077990888842,
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"volume": 425.45063054089496,
"volume_molar": 11.646016288854655,
"formula_full": "Ba6 Cu4 Cl4 O8",
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},
{
"id": "jvasp-10708",
"created_at": "2022-09-04T14:37:17.729080Z",
"updated_at": "2022-09-04T14:37:17.729090Z",
"structure_string": "Rb8 C8\n1.0\n4.717349 0.000000 0.000000\n0.000000 9.281691 0.000000\n0.000000 0.000000 9.718427\nRb C\n8 8\ndirect\n0.250000 0.988811 0.671260 Rb\n0.750000 0.011189 0.328740 Rb\n0.250000 0.488811 0.828740 Rb\n0.750000 0.511189 0.171260 Rb\n0.250000 0.338528 0.426804 Rb\n0.750000 0.661472 0.573197 Rb\n0.250000 0.838528 0.073197 Rb\n0.750000 0.161472 0.926804 Rb\n0.250000 0.668664 0.352323 C\n0.750000 0.331336 0.647677 C\n0.250000 0.168664 0.147677 C\n0.750000 0.831336 0.852323 C\n0.250000 0.790990 0.409269 C\n0.750000 0.209010 0.590731 C\n0.250000 0.290990 0.090731 C\n0.750000 0.709010 0.909269 C\n",
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],
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"formula_full": "Rb8 C8",
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"spacegroup": 62
}
]
}