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{
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"results": [
{
"id": "jvasp-24462",
"created_at": "2022-09-04T14:38:06.774923Z",
"updated_at": "2022-09-04T14:38:06.774948Z",
"structure_string": "Er6 Cu2 Si2 S14\n1.0\n4.890794 -8.471103 0.000000\n4.890794 8.471103 -0.000000\n-0.000000 0.000000 5.684697\nEr Cu Si S\n6 2 2 14\ndirect\n0.773747 0.131839 0.744844 Er\n0.641908 0.773747 0.244844 Er\n0.226252 0.868160 0.244844 Er\n0.131839 0.358091 0.244844 Er\n0.358091 0.226252 0.744844 Er\n0.868160 0.641908 0.744844 Er\n0.000000 0.000000 0.192114 Cu\n0.000000 0.000000 0.692114 Cu\n0.333333 0.666667 0.831921 Si\n0.666667 0.333333 0.331921 Si\n0.477101 0.896615 0.984070 S\n0.837215 0.098715 0.211989 S\n0.261499 0.162785 0.211989 S\n0.738500 0.837214 0.711989 S\n0.419513 0.522898 0.984070 S\n0.162785 0.901284 0.711989 S\n0.098715 0.261499 0.711989 S\n0.103384 0.580486 0.984070 S\n0.522898 0.103384 0.484070 S\n0.580486 0.477101 0.484070 S\n0.333333 0.666667 0.459834 S\n0.896615 0.419513 0.484070 S\n0.901284 0.738500 0.211989 S\n0.666667 0.333333 0.959835 S\n",
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{
"id": "jvasp-45992",
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"updated_at": "2022-09-04T14:38:06.777389Z",
"structure_string": "Y2 H2 O4\n1.0\n3.513797 -0.000069 0.000003\n-1.756958 3.043091 0.000026\n0.000020 0.000062 9.208196\nY H O\n2 2 4\ndirect\n0.999998 0.000169 0.999999 Y\n-0.000000 0.999883 0.499999 Y\n0.333330 0.666686 0.249992 H\n0.666672 0.333358 0.749993 H\n0.333320 0.666818 0.116975 O\n0.333345 0.666562 0.383035 O\n0.666675 0.333494 0.883035 O\n0.666659 0.333225 0.616975 O\n",
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"spacegroup": 194
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{
"id": "jvasp-109317",
"created_at": "2022-09-04T14:38:06.783299Z",
"updated_at": "2022-09-04T14:38:06.783322Z",
"structure_string": "Yb5 Mg1\n1.0\n9.548088 0.035148 0.000000\n-8.820494 3.655968 0.000000\n-0.000000 -0.000000 5.966599\nYb Mg\n5 1\ndirect\n0.997398 0.002603 -0.000000 Yb\n0.326837 0.673164 -0.000000 Yb\n0.665832 0.334170 -0.000000 Yb\n0.439789 0.560213 0.500000 Yb\n0.121704 0.878297 0.500000 Yb\n0.781777 0.218225 0.500000 Mg\n",
"nsites": 6,
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],
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"volume": 210.1288608573784,
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"spacegroup": 38
},
{
"id": "jvasp-29225",
"created_at": "2022-09-04T14:38:06.785664Z",
"updated_at": "2022-09-04T14:38:06.785693Z",
"structure_string": "Cu4 P8 H16 O16\n1.0\n5.373505 0.000000 0.000000\n-0.000000 6.261680 0.000000\n0.000000 0.000000 13.950952\nCu P H O\n4 8 16 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.453506 0.104279 0.132159 P\n0.953505 0.395721 0.867840 P\n0.546493 0.604279 0.367841 P\n0.046494 0.895721 0.632159 P\n0.546493 0.895721 0.867840 P\n0.046494 0.604279 0.132159 P\n0.453506 0.395721 0.632159 P\n0.953505 0.104279 0.367841 P\n0.018621 0.781926 0.719158 H\n0.518621 0.718074 0.280842 H\n0.420197 0.409282 0.352895 H\n0.481378 0.218074 0.219158 H\n0.079803 0.909282 0.352895 H\n0.579802 0.590718 0.647105 H\n0.920196 0.409282 0.147105 H\n0.420197 0.090718 0.852895 H\n0.920196 0.090718 0.647105 H\n0.518621 0.781926 0.780842 H\n0.079803 0.590718 0.852895 H\n0.579802 0.909282 0.147105 H\n0.981378 0.218074 0.280842 H\n0.481378 0.281926 0.719158 H\n0.018621 0.718074 0.219158 H\n0.981378 0.281926 0.780842 H\n0.326257 0.935964 0.620726 O\n0.826256 0.564036 0.379274 O\n0.673742 0.435964 0.879274 O\n0.595001 0.284277 0.550564 O\n0.904997 0.715723 0.050564 O\n0.404998 0.784277 0.949436 O\n0.904997 0.784277 0.550564 O\n0.404998 0.715723 0.449436 O\n0.095002 0.215723 0.449436 O\n0.595001 0.215723 0.050564 O\n0.673742 0.064036 0.379274 O\n0.173743 0.435964 0.620726 O\n0.326257 0.564036 0.120726 O\n0.826256 0.935964 0.879274 O\n0.173743 0.064036 0.120726 O\n0.095002 0.284277 0.949436 O\n",
"nsites": 44,
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"elements": [
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"formula_full": "Cu4 P8 H16 O16",
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{
"id": "jvasp-13762",
"created_at": "2022-09-04T14:38:06.788530Z",
"updated_at": "2022-09-04T14:38:06.788547Z",
"structure_string": "Pb2 S2\n1.0\n4.245356 0.012034 -0.000000\n-0.012048 4.245357 -0.000000\n-0.000000 0.000000 5.934369\nPb S\n2 2\ndirect\n0.260559 0.760560 0.750057 Pb\n0.760560 0.260559 0.249943 Pb\n0.760441 0.260440 0.749962 S\n0.260441 0.760441 0.250038 S\n",
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"formula_full": "Pb2 S2",
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"spacegroup": 225
},
{
"id": "jvasp-42192",
"created_at": "2022-09-04T14:38:06.788939Z",
"updated_at": "2022-09-04T14:38:06.788956Z",
"structure_string": "Fe6 O10 F2\n1.0\n-4.457795 4.457795 2.860022\n-0.085982 4.377508 -2.865395\n-4.377508 0.085982 -2.865395\nFe O F\n6 10 2\ndirect\n0.848514 0.675166 0.675166 Fe\n0.664003 0.326605 0.326605 Fe\n0.321122 0.654714 0.654714 Fe\n0.161802 0.331325 0.331325 Fe\n0.509714 0.005980 0.005980 Fe\n0.990670 0.003870 0.003870 Fe\n-0.000896 0.699141 0.305852 O\n-0.000896 0.305852 0.699141 O\n0.669235 0.640112 0.030244 O\n0.332954 0.966165 0.362327 O\n0.702410 0.102877 0.102877 O\n0.960416 0.232318 0.232318 O\n0.038085 0.770382 0.770382 O\n0.332954 0.362327 0.966165 O\n0.669235 0.030244 0.640112 O\n0.367961 0.429292 0.429292 O\n0.300844 0.897333 0.897333 F\n0.631856 0.566306 0.566306 F\n",
"nsites": 18,
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"density_atomic": 0.10947672004324777,
"volume": 164.41851740615965,
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"formula_full": "Fe6 O10 F2",
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"formula_anonymous": "AB3C5",
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"spacegroup": 8
},
{
"id": "jvasp-37484",
"created_at": "2022-09-04T14:38:06.794437Z",
"updated_at": "2022-09-04T14:38:06.794463Z",
"structure_string": "Yb3 Mg1\n1.0\n5.119612 -0.000000 -0.000000\n0.000000 5.119612 -0.000000\n0.000000 0.000000 5.119612\nYb Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Yb\n0.500000 0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Mg\n",
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},
{
"id": "jvasp-38858",
"created_at": "2022-09-04T14:38:06.795944Z",
"updated_at": "2022-09-04T14:38:06.795972Z",
"structure_string": "Zr2 Os1 Ru1\n1.0\n0.000008 3.279320 3.279321\n3.279329 0.000006 3.279323\n3.279335 3.279328 -0.000000\nZr Os Ru\n2 1 1\ndirect\n0.000001 0.000000 0.000000 Zr\n0.500000 0.499999 0.500001 Zr\n0.250000 0.250000 0.250000 Os\n0.750000 0.749999 0.750001 Ru\n",
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"volume": 70.53145541391174,
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},
{
"id": "jvasp-35263",
"created_at": "2022-09-04T14:38:06.797823Z",
"updated_at": "2022-09-04T14:38:06.797852Z",
"structure_string": "Na8 Zn8 Se12\n1.0\n7.341324 -0.000000 -0.000000\n-0.000000 7.341324 -0.000000\n-0.000000 -0.000000 12.082831\nNa Zn Se\n8 8 12\ndirect\n0.940684 0.344648 0.445614 Na\n0.059316 0.655352 0.945614 Na\n0.844647 0.559315 0.695614 Na\n0.155352 0.440684 0.195614 Na\n0.655352 0.059316 0.054386 Na\n0.344648 0.940684 0.554386 Na\n0.559315 0.844647 0.304386 Na\n0.440684 0.155352 0.804386 Na\n0.690247 0.523095 0.115789 Zn\n0.309752 0.476905 0.615789 Zn\n0.023095 0.809752 0.365789 Zn\n0.976904 0.190247 0.865789 Zn\n0.476905 0.309752 0.384211 Zn\n0.809752 0.023095 0.634211 Zn\n0.190247 0.976904 0.134211 Zn\n0.523095 0.690247 0.884211 Zn\n0.781844 0.781844 0.500000 Se\n0.585296 0.277939 0.580528 Se\n0.414703 0.722060 0.080528 Se\n0.777939 0.914703 0.830528 Se\n0.222060 0.085296 0.330528 Se\n0.722060 0.414703 0.919472 Se\n0.277939 0.585296 0.419472 Se\n0.914703 0.777939 0.169472 Se\n0.085296 0.222060 0.669472 Se\n0.718155 0.281844 0.250000 Se\n0.281844 0.718155 0.750000 Se\n0.218155 0.218155 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:38:06.800724Z",
"updated_at": "2022-09-04T14:38:06.800738Z",
"structure_string": "Fe4 Bi4 Sb4 S16\n1.0\n3.672029 0.000000 0.000000\n0.000000 11.551244 0.000000\n0.000000 0.000000 13.798508\nFe Bi Sb S\n4 4 4 16\ndirect\n0.250000 0.329250 0.342823 Fe\n0.750000 0.670750 0.657177 Fe\n0.250000 0.829249 0.157177 Fe\n0.750000 0.170750 0.842823 Fe\n0.750000 0.527730 0.109605 Bi\n0.250000 0.972270 0.609605 Bi\n0.250000 0.472270 0.890395 Bi\n0.750000 0.027730 0.390395 Bi\n0.750000 0.851819 0.920250 Sb\n0.250000 0.148180 0.079751 Sb\n0.750000 0.351819 0.579751 Sb\n0.250000 0.648180 0.420249 Sb\n0.750000 0.437408 0.402668 S\n0.750000 0.217835 0.285805 S\n0.250000 0.394342 0.193178 S\n0.250000 0.282164 0.785805 S\n0.750000 0.264741 0.988662 S\n0.250000 0.735259 0.011338 S\n0.750000 0.105658 0.693178 S\n0.250000 0.062592 0.902668 S\n0.750000 0.605657 0.806822 S\n0.750000 0.717835 0.214195 S\n0.250000 0.562592 0.597332 S\n0.250000 0.235259 0.488662 S\n0.250000 0.894342 0.306822 S\n0.750000 0.937408 0.097332 S\n0.750000 0.764741 0.511338 S\n0.250000 0.782164 0.714195 S\n",
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{
"id": "jvasp-35188",
"created_at": "2022-09-04T14:38:06.802804Z",
"updated_at": "2022-09-04T14:38:06.802830Z",
"structure_string": "Zn8 Si4 O16\n1.0\n4.841702 -0.000000 0.000000\n-0.000000 6.080083 0.000000\n0.000000 0.000000 10.369486\nZn Si O\n8 4 16\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.483465 0.750000 0.780953 Zn\n0.016535 0.750000 0.280953 Zn\n0.516535 0.250000 0.219047 Zn\n0.983465 0.250000 0.719048 Zn\n0.427985 0.250000 0.903479 Si\n0.072014 0.250000 0.403478 Si\n0.572014 0.750000 0.096522 Si\n0.927985 0.750000 0.596522 Si\n0.281204 0.467162 0.835237 O\n0.218796 0.032837 0.335237 O\n0.281204 0.032837 0.835237 O\n0.218796 0.467162 0.335237 O\n0.718796 0.532837 0.164763 O\n0.781204 0.967162 0.664764 O\n0.216792 0.250000 0.551240 O\n0.233812 0.750000 0.093100 O\n0.783207 0.750000 0.448760 O\n0.716792 0.750000 0.948761 O\n0.766187 0.250000 0.906901 O\n0.733812 0.250000 0.406901 O\n0.781204 0.532837 0.664764 O\n0.266188 0.750000 0.593100 O\n0.283208 0.250000 0.051240 O\n0.718796 0.967162 0.164763 O\n",
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"elements": [
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],
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"volume": 305.2564106142175,
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"formula_full": "Zn8 Si4 O16",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-14770",
"created_at": "2022-09-04T14:38:06.804909Z",
"updated_at": "2022-09-04T14:38:06.804929Z",
"structure_string": "Sr1 Hg1\n1.0\n3.958816 -0.000000 -0.000000\n0.000000 3.958816 -0.000000\n0.000000 0.000000 3.958816\nSr Hg\n1 1\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Hg\n",
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"volume": 62.04345160918949,
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}
]
}