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{
"id": "jvasp-49337",
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"updated_at": "2022-09-04T14:38:08.027105Z",
"structure_string": "Ho6 Cu2 Si2 S14\n1.0\n4.914032 -8.511354 -0.000000\n4.914032 8.511354 0.000000\n-0.000000 0.000000 5.680495\nHo Cu Si S\n6 2 2 14\ndirect\n0.357778 0.227630 0.242044 Ho\n0.130149 0.357778 0.742045 Ho\n0.227630 0.869850 0.742045 Ho\n0.772370 0.130149 0.242044 Ho\n0.869850 0.642221 0.242044 Ho\n0.642221 0.772370 0.742045 Ho\n0.000000 0.000000 0.195764 Cu\n0.000000 0.000000 0.695765 Cu\n0.333333 0.666667 0.329114 Si\n0.666667 0.333333 0.829115 Si\n0.163887 0.903398 0.213780 S\n0.903398 0.739511 0.713780 S\n0.666667 0.333333 0.457114 S\n0.333333 0.666667 0.957115 S\n0.477392 0.895674 0.480414 S\n0.895674 0.418282 0.980414 S\n0.581717 0.477392 0.980414 S\n0.096602 0.260489 0.213780 S\n0.104325 0.581717 0.480414 S\n0.522608 0.104325 0.980414 S\n0.739511 0.836112 0.213780 S\n0.418282 0.522608 0.480414 S\n0.836112 0.096602 0.713780 S\n0.260489 0.163887 0.713780 S\n",
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{
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"structure_string": "Ho6 Cu2 Si2 Se14\n1.0\n5.128660 -8.883100 0.000000\n5.128660 8.883100 0.000000\n-0.000000 0.000000 6.010988\nHo Cu Si Se\n6 2 2 14\ndirect\n0.778783 0.643261 0.769616 Ho\n0.643261 0.864479 0.269616 Ho\n0.135521 0.778783 0.269616 Ho\n0.864479 0.221217 0.769616 Ho\n0.356739 0.135521 0.769616 Ho\n0.221217 0.356739 0.269616 Ho\n0.000000 0.000000 0.823493 Cu\n0.000000 0.000000 0.323493 Cu\n0.666667 0.333333 0.181318 Si\n0.333333 0.666667 0.681319 Si\n0.333333 0.666667 0.059628 Se\n0.264037 0.102860 0.304572 Se\n0.521651 0.423713 0.025065 Se\n0.102860 0.838824 0.804573 Se\n0.576287 0.097938 0.025065 Se\n0.838824 0.735964 0.304572 Se\n0.478350 0.576287 0.525065 Se\n0.666667 0.333333 0.559628 Se\n0.897140 0.161176 0.304572 Se\n0.097938 0.521651 0.525065 Se\n0.161176 0.264037 0.804573 Se\n0.423713 0.902062 0.525065 Se\n0.902062 0.478349 0.025065 Se\n0.735964 0.897140 0.804573 Se\n",
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],
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"formula_full": "Ho6 Cu2 Si2 Se14",
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},
{
"id": "jvasp-34355",
"created_at": "2022-09-04T14:37:18.719430Z",
"updated_at": "2022-09-04T14:37:18.719451Z",
"structure_string": "Ho6 Cu2 Sn2 S14\n1.0\n4.840937 -8.384749 0.000000\n4.840937 8.384750 0.000000\n0.000000 0.000000 6.228957\nHo Cu Sn S\n6 2 2 14\ndirect\n0.154359 0.794178 0.274532 Ho\n0.360182 0.154359 0.774532 Ho\n0.639818 0.845641 0.274532 Ho\n0.845641 0.205822 0.774532 Ho\n0.794178 0.639818 0.774532 Ho\n0.205822 0.360182 0.274532 Ho\n0.000000 0.000000 0.155483 Cu\n0.000000 0.000000 0.655483 Cu\n0.333333 0.666667 0.837941 Sn\n0.666667 0.333333 0.337941 Sn\n0.735316 0.881165 0.693596 S\n0.145849 0.264684 0.693596 S\n0.521202 0.441466 0.522336 S\n0.920266 0.478798 0.522336 S\n0.881165 0.145849 0.193596 S\n0.118836 0.854152 0.693596 S\n0.264684 0.118836 0.193596 S\n0.558534 0.079735 0.522336 S\n0.441467 0.920266 0.022336 S\n0.478798 0.558534 0.022336 S\n0.333333 0.666667 0.452183 S\n0.079735 0.521202 0.022336 S\n0.854152 0.735316 0.193596 S\n0.666667 0.333333 0.952183 S\n",
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"elements": [
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],
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"volume": 505.6672785329352,
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"formula_full": "Ho6 Cu2 Sn2 S14",
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"formula_anonymous": "ABC3D7",
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},
{
"id": "jvasp-106804",
"created_at": "2022-09-04T14:36:58.011502Z",
"updated_at": "2022-09-04T14:36:58.011512Z",
"structure_string": "Ho3 Er3 Mn1 Bi2\n1.0\n4.197214 0.000000 0.000000\n-0.000000 7.116699 4.108176\n-0.000000 0.000685 8.217331\nHo Er Mn Bi\n3 3 1 2\ndirect\n0.000000 0.232188 0.767812 Ho\n0.000000 0.767791 0.000011 Ho\n-0.000000 -0.000010 0.232209 Ho\n0.500000 0.611121 0.388879 Er\n0.500000 0.388861 0.000006 Er\n0.500000 0.999995 0.611139 Er\n0.500000 -0.000000 0.000000 Mn\n0.000000 0.333331 0.333343 Bi\n0.000000 0.666657 0.666670 Bi\n",
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"elements": [
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],
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"density_atomic": 0.03666848076587883,
"volume": 245.44240208541123,
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"formula_full": "Ho3 Er3 Mn1 Bi2",
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"formula_anonymous": "AB2C3D3",
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{
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"updated_at": "2022-09-04T14:36:51.328799Z",
"structure_string": "Ho3 Er3 Mn1 Bi2\n1.0\n4.204608 -0.000000 0.000000\n0.000000 7.105902 -4.102145\n-0.000000 -0.000170 8.204530\nHo Er Mn Bi\n3 3 1 2\ndirect\n0.500000 0.610682 0.000002 Ho\n0.500000 0.389295 0.389308 Ho\n0.500000 0.999989 0.610710 Ho\n-0.000000 0.230965 0.000002 Er\n-0.000000 0.769031 0.769044 Er\n0.000000 -0.000011 0.230972 Er\n0.500000 0.000000 -0.000004 Mn\n-0.000000 0.333335 0.666672 Bi\n-0.000000 0.666644 0.333333 Bi\n",
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"elements": [
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],
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"density_atomic": 0.03671548512588326,
"volume": 245.12817872738069,
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"formula_full": "Ho3 Er3 Mn1 Bi2",
"formula_reduced": "Ho3Er3MnBi2",
"formula_anonymous": "AB2C3D3",
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"spacegroup": 189
},
{
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"created_at": "2022-09-04T14:38:46.352358Z",
"updated_at": "2022-09-04T14:38:46.352370Z",
"structure_string": "Ho4 Fe2 Mo2 O14\n1.0\n6.209332 0.015311 3.525738\n2.130454 5.822419 3.545130\n0.130453 0.061667 7.150738\nHo Fe Mo O\n4 2 2 14\ndirect\n0.500000 -0.000000 0.000000 Ho\n-0.000000 0.000000 0.500000 Ho\n-0.000000 0.500000 0.000000 Ho\n0.499999 0.500000 0.500001 Ho\n0.500000 0.000000 0.500000 Fe\n-0.000001 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.173257 0.617855 0.178273 O\n0.823607 0.825828 0.384842 O\n0.384451 0.827452 0.820552 O\n0.826741 0.382146 0.821728 O\n0.608537 0.606919 0.119717 O\n0.117367 0.602563 0.605933 O\n0.394804 0.881142 0.393411 O\n0.391462 0.393082 0.880284 O\n0.882631 0.397437 0.394068 O\n0.615548 0.172549 0.179449 O\n0.886258 0.884533 0.888190 O\n0.113740 0.115468 0.111811 O\n0.605194 0.118858 0.606590 O\n0.176391 0.174172 0.615159 O\n",
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"elements": [
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],
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},
{
"id": "jvasp-122481",
"created_at": "2022-09-04T14:38:54.181859Z",
"updated_at": "2022-09-04T14:38:54.181889Z",
"structure_string": "Ho4 Fe2 Sb2 O14\n1.0\n6.243329 -0.008221 -3.511007\n-2.076540 5.818675 -3.624555\n0.010373 0.008221 7.162836\nHo Fe Sb O\n4 2 2 14\ndirect\n0.500000 0.000000 -0.000000 Ho\n0.500000 0.500000 0.499999 Ho\n0.500000 -0.000000 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n-0.000000 0.500000 -0.000001 Fe\n-0.000000 -0.000000 0.500000 Fe\n-0.000000 0.499999 0.499999 Sb\n0.500000 0.500000 -0.000001 Sb\n0.669575 0.415985 0.831557 O\n0.084428 0.838017 0.668441 O\n0.669576 0.838018 0.253589 O\n0.084429 0.415985 0.246409 O\n0.661580 0.411584 0.249999 O\n0.078001 0.828001 0.249999 O\n0.915571 0.584014 0.753590 O\n0.915571 0.161982 0.331557 O\n0.330424 0.161982 0.746410 O\n0.625265 0.875265 0.749999 O\n0.338420 0.588415 0.749999 O\n0.921998 0.171999 0.750000 O\n0.330424 0.584014 0.168442 O\n0.374734 0.124734 0.250000 O\n",
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"elements": [
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],
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"formula_full": "Ho4 Fe2 Sb2 O14",
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"spacegroup": 74
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{
"id": "jvasp-35480",
"created_at": "2022-09-04T14:37:46.073968Z",
"updated_at": "2022-09-04T14:37:46.073987Z",
"structure_string": "Ho2 Fe2 Si2 C1\n1.0\n-0.000000 -3.909472 0.000000\n4.081796 -1.954735 -3.343786\n4.067951 -1.954735 3.370819\nHo Fe Si C\n2 2 2 1\ndirect\n0.440549 0.825851 0.293054 Ho\n0.559453 0.174150 0.706945 Ho\n0.798976 0.306447 0.095602 Fe\n0.201026 0.693554 0.904398 Fe\n0.838319 0.608793 0.714571 Si\n0.161683 0.391207 0.285428 Si\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:35:47.773718Z",
"updated_at": "2022-09-04T14:35:47.773746Z",
"structure_string": "Ho8 H16 C4 O28\n1.0\n6.178644 0.000000 -0.784030\n0.000000 5.971238 0.000000\n0.049260 0.000000 15.390743\nHo H C O\n8 16 4 28\ndirect\n0.591574 0.251863 0.563807 Ho\n0.408425 0.751863 0.936193 Ho\n0.408425 0.748138 0.436193 Ho\n0.591574 0.248137 0.063807 Ho\n0.578277 0.256337 0.817318 Ho\n0.421722 0.756337 0.682682 Ho\n0.421722 0.743664 0.182682 Ho\n0.578277 0.243664 0.317318 Ho\n0.827235 0.003436 0.197483 H\n0.827235 0.496564 0.697483 H\n0.172764 -0.003436 0.802517 H\n0.833511 0.550855 0.214561 H\n0.166488 0.050855 0.285439 H\n0.166488 0.449145 0.785439 H\n0.833511 0.949145 0.714561 H\n0.816553 0.969363 0.945262 H\n0.183447 0.030638 0.054738 H\n0.183447 0.469362 0.554738 H\n0.172764 0.503436 0.302517 H\n0.224674 0.171066 0.422137 H\n0.775326 0.671066 0.077863 H\n0.775326 0.828934 0.577863 H\n0.224674 0.328934 0.922137 H\n0.816553 0.530638 0.445262 H\n0.899803 0.926723 0.383171 C\n0.100196 0.426723 0.116829 C\n0.100196 0.073277 0.616829 C\n0.899803 0.573277 0.883171 C\n0.327579 0.964707 0.810575 O\n0.672420 0.464707 0.689425 O\n0.967417 0.277000 0.083722 O\n0.032582 0.777000 0.416277 O\n0.032582 0.723000 0.916277 O\n0.967417 0.223000 0.583722 O\n0.697230 0.517001 0.237692 O\n0.302769 0.017001 0.262308 O\n0.302769 0.483000 0.762308 O\n0.697230 -0.017001 0.737692 O\n0.676833 0.454882 0.446863 O\n0.323166 0.954882 0.053137 O\n0.323166 0.545118 0.553137 O\n0.676833 0.045118 0.946863 O\n0.622460 0.632552 0.059951 O\n0.622460 0.867449 0.559951 O\n0.377539 0.367449 0.940049 O\n0.957774 0.121550 0.355683 O\n0.042225 0.621550 0.144317 O\n0.042225 0.878450 0.644317 O\n0.957774 0.378450 0.855683 O\n0.691159 0.891584 0.374447 O\n0.308840 0.391584 0.125553 O\n0.308840 0.108417 0.625553 O\n0.691159 0.608417 0.874447 O\n0.327579 0.535293 0.310575 O\n0.377539 0.132551 0.440049 O\n0.672420 0.035293 0.189425 O\n",
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"formula_full": "Ho8 H16 C4 O28",
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{
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"created_at": "2022-09-04T14:37:13.167777Z",
"updated_at": "2022-09-04T14:37:13.167789Z",
"structure_string": "Ho2 H4 Cl2 O4\n1.0\n6.210321 0.000000 0.081957\n0.000000 3.585742 0.000000\n-1.855332 0.000000 6.308440\nHo H Cl O\n2 4 2 4\ndirect\n0.282219 0.249999 0.109957 Ho\n0.717782 0.750001 0.890044 Ho\n0.875273 0.249999 0.237444 H\n0.638038 0.750001 0.308990 H\n0.361961 0.249999 0.691011 H\n0.124729 0.750001 0.762557 H\n0.229258 0.750001 0.429163 Cl\n0.770742 0.249999 0.570838 Cl\n0.895683 0.249999 0.094364 O\n0.545478 0.750001 0.162083 O\n0.454524 0.249999 0.837918 O\n0.104316 0.750001 0.905637 O\n",
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],
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"volume": 141.0254215366426,
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"formula_full": "Ho2 H4 Cl2 O4",
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{
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"created_at": "2022-09-04T14:38:26.032703Z",
"updated_at": "2022-09-04T14:38:26.032731Z",
"structure_string": "Ho4 Mg2 Ti2 O12\n1.0\n5.602922 0.000000 0.000000\n-0.000000 4.362470 2.977802\n-0.000000 0.021931 9.256101\nHo Mg Ti O\n4 2 2 12\ndirect\n0.068554 0.729582 0.751818 Ho\n0.931446 0.270418 0.248182 Ho\n0.568553 0.270418 0.748182 Ho\n0.431446 0.729582 0.251818 Ho\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.688097 0.358125 0.443631 O\n0.311902 0.641875 0.556369 O\n0.702588 0.753385 0.062351 O\n0.297412 0.246614 0.937649 O\n0.202588 0.246614 0.437649 O\n0.543069 0.128249 0.255995 O\n0.043069 0.871751 0.244005 O\n0.956931 0.128248 0.755994 O\n0.811902 0.358124 0.943631 O\n0.456931 0.871751 0.744005 O\n0.797411 0.753385 0.562351 O\n0.188098 0.641875 0.056369 O\n",
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],
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"volume": 225.87707578735942,
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"formula_full": "Ho4 Mg2 Ti2 O12",
"formula_reduced": "Ho2MgTiO6",
"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:38:09.456674Z",
"updated_at": "2022-09-04T14:38:09.456701Z",
"structure_string": "Ho3 Mn3 Ga2 Ge1\n1.0\n6.889747 0.000000 0.000000\n-3.444874 5.966696 0.000000\n-0.000000 -0.000000 4.113148\nHo Mn Ga Ge\n3 3 2 1\ndirect\n0.420755 0.419323 0.500000 Ho\n0.580677 0.001431 0.500000 Ho\n0.998569 0.579246 0.500000 Ho\n0.777927 0.773428 -0.000000 Mn\n0.226572 0.004498 -0.000000 Mn\n0.995502 0.222074 -0.000000 Mn\n0.333334 0.666667 -0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333334 -0.000000 Ge\n",
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],
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"volume_molar": 11.314097456188835,
"formula_full": "Ho3 Mn3 Ga2 Ge1",
"formula_reduced": "Ho3Mn3Ga2Ge",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 2.1743843360153257,
"spacegroup": 174
}
]
}