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{
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"results": [
{
"id": "mp-555414",
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"structure_string": "Ba12 Sb16 O4\n1.0\n13.030246 0.000000 0.000000\n0.000000 7.127052 0.000000\n0.000000 4.997746 12.144106\nBa Sb O\n12 16 4\ndirect\n0.233404 0.809002 0.521539 Ba\n0.441938 0.203651 0.546783 Ba\n0.766596 0.190998 0.478461 Ba\n0.948191 0.388150 0.722005 Ba\n0.058062 0.203651 0.046783 Ba\n0.266596 0.809002 0.021539 Ba\n0.941938 0.796349 0.953217 Ba\n0.051809 0.611850 0.277995 Ba\n0.551809 0.388150 0.222005 Ba\n0.733404 0.190998 0.978461 Ba\n0.448191 0.611850 0.777995 Ba\n0.558062 0.796349 0.453217 Ba\n0.982489 0.068825 0.343173 Sb\n0.482489 0.931175 0.156827 Sb\n0.655788 0.723191 0.937270 Sb\n0.343635 0.649645 0.314312 Sb\n0.017511 0.931175 0.656827 Sb\n0.155788 0.276809 0.562730 Sb\n0.656365 0.350355 0.685688 Sb\n0.768602 0.704247 0.235298 Sb\n0.843635 0.350355 0.185688 Sb\n0.344212 0.276809 0.062730 Sb\n0.731398 0.704247 0.735298 Sb\n0.844212 0.723191 0.437270 Sb\n0.517511 0.068825 0.843173 Sb\n0.268602 0.295753 0.264702 Sb\n0.231398 0.295753 0.764702 Sb\n0.156365 0.649645 0.814312 Sb\n0.913513 0.166556 0.920645 O\n0.086487 0.833444 0.079355 O\n0.413513 0.833444 0.579355 O\n0.586487 0.166556 0.420645 O\n",
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{
"id": "mp-725927",
"created_at": "2022-09-04T14:48:27.448336Z",
"structure_string": "Ba4 Sb12 O24\n1.0\n5.509423 0.000000 0.000000\n0.000000 9.557358 0.000000\n0.000000 1.764719 14.325583\nBa Sb O\n4 12 24\ndirect\n0.720270 0.949021 0.390148 Ba\n0.220270 0.050979 0.109852 Ba\n0.279730 0.050979 0.609852 Ba\n0.779730 0.949021 0.890148 Ba\n0.190029 0.673288 0.293512 Sb\n0.690029 0.326712 0.206488 Sb\n0.809971 0.326712 0.706488 Sb\n0.309971 0.673288 0.793512 Sb\n0.220741 0.605159 0.023236 Sb\n0.720741 0.394841 0.476764 Sb\n0.779259 0.394841 0.976764 Sb\n0.279259 0.605159 0.523236 Sb\n0.704567 0.767465 0.148024 Sb\n0.204567 0.232535 0.351976 Sb\n0.295433 0.232535 0.851976 Sb\n0.795433 0.767465 0.648024 Sb\n0.474379 0.553337 0.413746 O\n0.974379 0.446663 0.086254 O\n0.525621 0.446663 0.586254 O\n0.025621 0.553337 0.913746 O\n0.667575 0.948898 0.079146 O\n0.167575 0.051102 0.420854 O\n0.332425 0.051102 0.920854 O\n0.832425 0.948898 0.579146 O\n0.105334 0.732781 0.417363 O\n0.605334 0.267219 0.082637 O\n0.894666 0.267219 0.582637 O\n0.394666 0.732781 0.917363 O\n0.028613 0.761391 0.059318 O\n0.528613 0.238609 0.440682 O\n0.971387 0.238609 0.940682 O\n0.471387 0.761391 0.559318 O\n0.441826 0.814199 0.249836 O\n0.941826 0.185801 0.250164 O\n0.558174 0.185801 0.750164 O\n0.058174 0.814199 0.749836 O\n0.937384 0.820370 0.243896 O\n0.437384 0.179630 0.256104 O\n0.062616 0.179630 0.756104 O\n0.562616 0.820370 0.743896 O\n",
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"volume": 754.321136549832,
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"formula_full": "Ba4 Sb12 O24",
"formula_reduced": "Ba(SbO2)3",
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"energy": -256.83683298,
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"spacegroup": 14
},
{
"id": "mp-31238",
"created_at": "2022-09-04T14:48:02.783983Z",
"structure_string": "Ba9 Sb6 O18\n1.0\n6.273415 0.000000 0.000000\n-3.105782 9.433940 0.000000\n-0.086132 -3.384264 11.900105\nBa Sb O\n9 6 18\ndirect\n0.610730 0.211952 0.061741 Ba\n0.217697 0.399733 0.702520 Ba\n0.389270 0.788048 0.938259 Ba\n0.782303 0.600267 0.297480 Ba\n0.515884 0.036978 0.702402 Ba\n0.484116 0.963022 0.297598 Ba\n0.848118 0.722466 0.711161 Ba\n0.151882 0.277534 0.288839 Ba\n0.000000 0.000000 0.500000 Ba\n0.763637 0.505992 0.917743 Sb\n0.236363 0.494008 0.082257 Sb\n0.044883 0.096700 0.875245 Sb\n0.955117 0.903300 0.124755 Sb\n0.682985 0.333514 0.507949 Sb\n0.317015 0.666486 0.492051 Sb\n0.438183 0.157446 0.520462 O\n0.561817 0.842554 0.479538 O\n0.603679 0.326153 0.353094 O\n0.396321 0.673847 0.646906 O\n0.936176 0.252680 0.486152 O\n0.063824 0.747321 0.513848 O\n0.628872 0.291728 0.851382 O\n0.371128 0.708272 0.148618 O\n0.563049 0.578966 0.841379 O\n0.436951 0.421034 0.158621 O\n0.011329 0.565996 0.822271 O\n0.795263 0.050394 0.157031 O\n0.204737 0.949606 0.842969 O\n0.266482 0.041149 0.141650 O\n0.733518 0.958851 0.858350 O\n0.970358 0.886248 0.280754 O\n0.029642 0.113752 0.719246 O\n0.988671 0.434004 0.177729 O\n",
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"volume": 704.284160607864,
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"formula_full": "Ba9 Sb6 O18",
"formula_reduced": "Ba3(SbO3)2",
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"energy": -216.01507724,
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"updated_at": "2021-11-28T01:38:19.565000Z",
"spacegroup": 2
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{
"id": "mp-1228369",
"created_at": "2022-09-04T14:42:12.450042Z",
"structure_string": "Ba2 Sb2 O5\n1.0\n2.010572 -7.359773 0.000000\n2.010572 7.359773 0.000000\n0.000000 0.000000 6.517271\nBa Sb O\n2 2 5\ndirect\n0.324081 0.675919 0.000000 Ba\n0.677703 0.322297 0.500000 Ba\n0.069921 0.930079 0.000000 Sb\n0.930586 0.069414 0.500000 Sb\n0.156761 0.843239 0.224943 O\n0.841061 0.158939 0.277632 O\n0.156761 0.843239 0.775057 O\n0.841061 0.158939 0.722368 O\n0.524064 0.475936 0.000000 O\n",
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"formula_full": "Ba2 Sb2 O5",
"formula_reduced": "Ba2Sb2O5",
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"updated_at": "2021-11-28T01:35:34.856000Z",
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{
"id": "mp-3164",
"created_at": "2022-09-04T14:42:59.945312Z",
"structure_string": "Ba4 S4 O16\n1.0\n5.556961 0.000000 0.000000\n0.000000 7.277069 0.000000\n0.000000 0.000000 9.018259\nBa S O\n4 4 16\ndirect\n0.250000 0.843390 0.685738 Ba\n0.750000 0.156610 0.314262 Ba\n0.750000 0.343390 0.814262 Ba\n0.250000 0.656610 0.185738 Ba\n0.250000 0.309642 0.561714 S\n0.750000 0.690358 0.438286 S\n0.750000 0.809642 0.938286 S\n0.250000 0.190358 0.061714 S\n0.531256 0.810333 0.419960 O\n0.031256 0.189667 0.580040 O\n0.468744 0.310333 0.080040 O\n0.968744 0.689667 0.919960 O\n0.468744 0.189667 0.580040 O\n0.968744 0.810333 0.419960 O\n0.531256 0.689667 0.919960 O\n0.031256 0.310333 0.080040 O\n0.250000 0.391018 0.411719 O\n0.750000 0.608982 0.588281 O\n0.750000 0.891018 0.088281 O\n0.250000 0.108982 0.911719 O\n0.250000 0.048953 0.181149 O\n0.750000 0.951047 0.818851 O\n0.750000 0.548953 0.318851 O\n0.250000 0.451047 0.681149 O\n",
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{
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"created_at": "2022-09-04T14:40:36.126384Z",
"structure_string": "Ba1 S1 O4\n1.0\n0.000000 3.698780 3.698780\n3.698780 0.000000 3.698780\n3.698780 3.698780 0.000000\nBa S O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 S\n0.883612 0.883612 0.349164 O\n0.883612 0.349164 0.883612 O\n0.883612 0.883612 0.883612 O\n0.349164 0.883612 0.883612 O\n",
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{
"id": "mp-1194419",
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"structure_string": "Ba2 S10 O16\n1.0\n-5.374083 0.000000 0.000000\n-0.112910 -10.515765 0.000000\n1.530413 3.650961 10.984413\nBa S O\n2 10 16\ndirect\n0.253934 0.786911 0.101040 Ba\n0.746066 0.213089 0.898960 Ba\n0.187617 0.774413 0.631916 S\n0.812383 0.225587 0.368084 S\n0.414217 0.621960 0.644758 S\n0.585783 0.378040 0.355242 S\n0.195779 0.459752 0.631543 S\n0.804221 0.540248 0.368457 S\n0.251480 0.920723 0.815226 S\n0.748520 0.079277 0.184774 S\n0.249252 0.449119 0.817342 S\n0.750748 0.550881 0.182658 S\n0.522040 0.949088 0.844371 O\n0.477960 0.050912 0.155629 O\n0.107136 0.031584 0.790985 O\n0.892864 0.968416 0.209015 O\n0.143352 0.859031 0.893659 O\n0.856648 0.140969 0.106341 O\n0.519520 0.437229 0.847257 O\n0.480480 0.562771 0.152743 O\n0.103865 0.323544 0.795289 O\n0.896135 0.676456 0.204711 O\n0.142643 0.568577 0.893418 O\n0.857357 0.431423 0.106582 O\n0.737817 0.757932 0.016789 O\n0.262183 0.242068 0.983211 O\n0.404683 0.868695 0.367613 O\n0.595317 0.131305 0.632387 O\n",
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{
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{
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