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{
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"results": [
{
"id": "jvasp-37644",
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"updated_at": "2022-09-04T14:37:55.718310Z",
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{
"id": "jvasp-109592",
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"structure_string": "Sc6 Os2\n1.0\n6.217508 -0.000000 0.000000\n-3.108753 5.384520 0.000000\n-0.000000 -0.000000 4.634387\nSc Os\n6 2\ndirect\n0.824540 0.175461 0.750001 Sc\n0.350922 0.175461 0.750001 Sc\n0.824540 0.649078 0.750001 Sc\n0.175461 0.824539 0.250000 Sc\n0.649079 0.824539 0.250000 Sc\n0.175461 0.350922 0.250000 Sc\n0.666667 0.333333 0.250000 Os\n0.333334 0.666667 0.750001 Os\n",
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{
"id": "jvasp-86807",
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"structure_string": "Sm1 Sb12 Os4\n1.0\n7.709559 -0.000000 -2.725741\n-3.854780 6.676674 -2.725741\n-0.000000 -0.000000 8.177222\nSm Sb Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.844035 0.181999 0.337963 Sb\n0.155965 0.818000 0.662037 Sb\n0.844035 0.506072 0.662037 Sb\n0.662037 0.155965 0.818001 Sb\n0.337963 0.155965 0.493928 Sb\n0.155965 0.493927 0.337963 Sb\n0.506072 0.662037 0.844035 Sb\n0.493928 0.337963 0.155965 Sb\n0.181999 0.337963 0.844035 Sb\n0.662037 0.844035 0.506072 Sb\n0.337963 0.844035 0.181999 Sb\n0.818001 0.662037 0.155965 Sb\n-0.000000 0.500000 -0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.000000 Os\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "Os-Sb-Sm",
"density": 9.359260093663238,
"density_atomic": 0.040388100198974285,
"volume": 420.91605983565773,
"volume_molar": 14.910680943970078,
"formula_full": "Sm1 Sb12 Os4",
"formula_reduced": "Sm(Sb3Os)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.2892630632352944,
"spacegroup": 204
},
{
"id": "jvasp-86205",
"created_at": "2022-09-04T14:35:41.142113Z",
"updated_at": "2022-09-04T14:35:41.142144Z",
"structure_string": "Sm1 Sb12 Os4\n1.0\n7.709536 0.000000 -2.725732\n-3.854767 6.676654 -2.725732\n0.000000 0.000000 8.177197\nSm Sb Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.844028 0.182002 0.337974 Sb\n0.155972 0.817998 0.662027 Sb\n0.844027 0.506053 0.662027 Sb\n0.662027 0.155973 0.817999 Sb\n0.337974 0.155973 0.493947 Sb\n0.155973 0.493946 0.337974 Sb\n0.506054 0.662026 0.844028 Sb\n0.493946 0.337973 0.155973 Sb\n0.182002 0.337973 0.844028 Sb\n0.662026 0.844027 0.506054 Sb\n0.337973 0.844027 0.182002 Sb\n0.817998 0.662026 0.155973 Sb\n-0.000000 0.500000 -0.000000 Os\n0.500000 0.500000 0.500000 Os\n-0.000000 -0.000000 0.500000 Os\n0.500000 -0.000000 0.000000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Os"
],
"chemical_system": "Os-Sb-Sm",
"density": 9.359344665250575,
"density_atomic": 0.040388465151514244,
"volume": 420.91225641345363,
"volume_molar": 14.910546210182533,
"formula_full": "Sm1 Sb12 Os4",
"formula_reduced": "Sm(Sb3Os)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.289262475,
"spacegroup": 204
},
{
"id": "jvasp-51157",
"created_at": "2022-09-04T14:36:47.047645Z",
"updated_at": "2022-09-04T14:36:47.047673Z",
"structure_string": "Si1 Sb1 Os2\n1.0\n-0.000000 3.220373 3.220373\n3.220373 -0.000000 3.220373\n3.220373 3.220373 -0.000000\nSi Sb Os\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Si\n0.499999 0.499999 0.499999 Sb\n0.000000 0.000000 0.000000 Os\n0.749999 0.749999 0.749999 Os\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.05988409149586799,
"volume": 66.79570316727607,
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"formula_full": "Si1 Sb1 Os2",
"formula_reduced": "SiSbOs2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-13419",
"created_at": "2022-09-04T14:36:56.779816Z",
"updated_at": "2022-09-04T14:36:56.779841Z",
"structure_string": "Sb8 S8 O4\n1.0\n5.880775 -0.056147 0.051646\n-2.787334 7.707246 0.003921\n-2.522330 -3.091309 10.002770\nSb S O\n8 8 4\ndirect\n0.336161 0.355844 0.100574 Sb\n0.663840 0.644157 0.899427 Sb\n0.360874 0.870282 0.134372 Sb\n0.639128 0.129718 0.865628 Sb\n0.982553 0.338440 0.367791 Sb\n0.017449 0.661560 0.632209 Sb\n0.963853 0.832028 0.366446 Sb\n0.036149 0.167972 0.633554 Sb\n0.482625 0.705307 0.304913 S\n0.517377 0.294694 0.695087 S\n0.497977 0.191291 0.298284 S\n0.502025 0.808709 0.701716 S\n0.225168 0.524292 0.912866 S\n0.774685 0.954688 0.087492 S\n0.774833 0.475708 0.087134 S\n0.225317 0.045313 0.912508 S\n0.961152 0.099584 0.430795 O\n0.926456 0.586788 0.428710 O\n0.073546 0.413212 0.571291 O\n0.038849 0.900416 0.569205 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "O-S-Sb",
"density": 4.742119976664352,
"density_atomic": 0.044118286655482106,
"volume": 453.3267612176144,
"volume_molar": 13.649987831636915,
"formula_full": "Sb8 S8 O4",
"formula_reduced": "Sb2S2O",
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"spacegroup": 2
},
{
"id": "jvasp-58906",
"created_at": "2022-09-04T14:36:30.849801Z",
"updated_at": "2022-09-04T14:36:30.849835Z",
"structure_string": "Sb8 S8 O4\n1.0\n5.880387 -0.056315 0.051978\n-2.787369 7.707376 0.003855\n-2.521502 -3.091135 10.002263\nSb S O\n8 8 4\ndirect\n0.336142 0.355782 0.100549 Sb\n0.663858 0.644218 0.899451 Sb\n0.360849 0.870261 0.134423 Sb\n0.639151 0.129739 0.865577 Sb\n0.982563 0.338448 0.367781 Sb\n0.017438 0.661551 0.632219 Sb\n0.963833 0.832022 0.366433 Sb\n0.036168 0.167978 0.633568 Sb\n0.482593 0.705297 0.304934 S\n0.517408 0.294702 0.695066 S\n0.497981 0.191302 0.298292 S\n0.502019 0.808697 0.701708 S\n0.225152 0.524292 0.912866 S\n0.774659 0.954682 0.087505 S\n0.774848 0.475707 0.087134 S\n0.225342 0.045317 0.912495 S\n0.961171 0.099593 0.430796 O\n0.926425 0.586779 0.428708 O\n0.073576 0.413220 0.571293 O\n0.038830 0.900406 0.569205 O\n",
"nsites": 20,
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],
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"density_atomic": 0.04412238465321339,
"volume": 453.28465714609604,
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"formula_full": "Sb8 S8 O4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 2
},
{
"id": "jvasp-30438",
"created_at": "2022-09-04T14:38:05.288454Z",
"updated_at": "2022-09-04T14:38:05.288479Z",
"structure_string": "Sb4 S4 O2\n1.0\n4.080254 0.003675 -0.006750\n-2.050369 10.529085 -0.031492\n-2.029458 -1.717796 5.240102\nSb S O\n4 4 2\ndirect\n0.333452 0.634138 0.030849 Sb\n0.671928 0.366081 0.975952 Sb\n0.268718 0.881874 0.654052 Sb\n0.736667 0.118343 0.352748 Sb\n0.072361 0.913934 0.228952 S\n0.933021 0.086284 0.777851 S\n0.607881 0.699604 0.514395 S\n0.397501 0.300615 0.492405 S\n0.817280 0.570506 0.062189 O\n0.188098 0.429710 0.944613 O\n",
"nsites": 10,
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],
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"density": 4.78200650797505,
"density_atomic": 0.04448937077623774,
"volume": 224.77279011869302,
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"formula_full": "Sb4 S4 O2",
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"spacegroup": 12
},
{
"id": "jvasp-115307",
"created_at": "2022-09-04T14:38:45.774356Z",
"updated_at": "2022-09-04T14:38:45.774379Z",
"structure_string": "Sb2 S1 O2\n1.0\n-1.879165 1.879165 5.815987\n1.879165 -1.879165 5.815987\n1.879165 1.879165 -5.815987\nSb S O\n2 1 2\ndirect\n0.357253 0.357253 0.000000 Sb\n0.642746 0.642746 0.000000 Sb\n0.000000 0.000000 0.000000 S\n0.250000 0.750002 0.500002 O\n0.750002 0.250000 0.500002 O\n",
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"formula_full": "Sb2 S1 O2",
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"spacegroup": 139
},
{
"id": "jvasp-115306",
"created_at": "2022-09-04T14:38:45.727779Z",
"updated_at": "2022-09-04T14:38:45.727798Z",
"structure_string": "Sb2 S1 O2\n1.0\n-0.376818 2.942714 5.656081\n2.942711 -0.376795 5.656081\n2.565893 2.565919 0.000000\nSb S O\n2 1 2\ndirect\n0.679825 0.679822 0.320176 Sb\n0.420803 0.420802 0.079197 Sb\n0.062075 0.062074 0.437926 S\n0.326891 0.326888 0.673110 O\n0.010410 0.010410 -0.010410 O\n",
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},
{
"id": "jvasp-97812",
"created_at": "2022-09-04T14:35:51.952653Z",
"updated_at": "2022-09-04T14:35:51.952674Z",
"structure_string": "Sb8 S12 O48\n1.0\n4.748635 0.000000 0.000000\n0.000000 12.822982 -2.465643\n0.000000 0.035462 14.465743\nSb S O\n8 12 48\ndirect\n0.412412 0.924813 0.283625 Sb\n0.310036 0.826678 0.933100 Sb\n0.810036 0.673322 0.566900 Sb\n0.689965 0.173322 0.066900 Sb\n0.912412 0.575187 0.216375 Sb\n0.087589 0.424813 0.783625 Sb\n0.587589 0.075187 0.716375 Sb\n0.189965 0.326678 0.433100 Sb\n0.863461 0.942164 0.108713 S\n0.363461 0.557836 0.391288 S\n0.636540 0.442164 0.608712 S\n0.825149 0.651246 0.821957 S\n0.325149 0.848754 0.678043 S\n0.136540 0.057836 0.891287 S\n0.674852 0.151246 0.321957 S\n0.558372 0.335903 0.895318 S\n0.058371 0.164097 0.604682 S\n0.441629 0.664097 0.104682 S\n0.941630 0.835903 0.395318 S\n0.174852 0.348754 0.178043 S\n0.400142 0.436614 0.900016 O\n0.547227 0.136399 0.227869 O\n0.047226 0.363600 0.272131 O\n0.452774 0.863600 0.772131 O\n0.952775 0.636399 0.727869 O\n0.569596 0.063311 0.369528 O\n0.930405 0.563311 0.869528 O\n0.430405 0.936689 0.630472 O\n0.570507 0.251159 0.384164 O\n0.070507 0.248841 0.115836 O\n0.429494 0.748841 0.615836 O\n0.900143 0.063386 0.599983 O\n0.069596 0.436689 0.130472 O\n0.018638 0.842277 0.677512 O\n0.863769 0.935729 0.211274 O\n0.543346 0.303097 0.986839 O\n0.363769 0.564271 0.288726 O\n0.136232 0.064270 0.788726 O\n0.636232 0.435729 0.711274 O\n0.044454 0.853971 0.060806 O\n0.544454 0.646029 0.439194 O\n0.955547 0.146029 0.939194 O\n0.455547 0.353971 0.560806 O\n0.572522 0.934695 0.073202 O\n0.072522 0.565305 0.426798 O\n0.427479 0.065305 0.926798 O\n0.927479 0.434695 0.573202 O\n0.990306 0.043851 0.096841 O\n0.490305 0.456149 0.403159 O\n0.009695 0.956149 0.903159 O\n0.099858 0.936614 0.400017 O\n0.509696 0.543851 0.596841 O\n0.518638 0.657723 0.822488 O\n0.481363 0.342277 0.177512 O\n0.981363 0.157723 0.322488 O\n0.057765 0.760123 0.316251 O\n0.557766 0.739877 0.183749 O\n0.942236 0.239877 0.683749 O\n0.442235 0.260123 0.816251 O\n0.629788 0.854683 0.379574 O\n0.129788 0.645316 0.120426 O\n0.370213 0.145316 0.620426 O\n0.870213 0.354683 0.879574 O\n0.956655 0.803097 0.486839 O\n0.456655 0.696903 0.013161 O\n0.043346 0.196903 0.513161 O\n0.929494 0.751159 0.884164 O\n0.599859 0.563386 0.099983 O\n",
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],
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"density": 4.007549425512362,
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"volume": 881.2583253947602,
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"formula_full": "Sb8 S12 O48",
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},
{
"id": "jvasp-2193",
"created_at": "2022-09-04T14:36:10.903324Z",
"updated_at": "2022-09-04T14:36:10.903343Z",
"structure_string": "Sb4 Os2\n1.0\n3.273357 0.000000 0.000000\n0.000000 6.019872 0.000000\n0.000000 0.000000 6.782937\nSb Os\n4 2\ndirect\n0.500000 0.318155 0.858130 Sb\n0.500000 0.681845 0.141871 Sb\n0.000000 0.181845 0.358130 Sb\n0.000000 0.818155 0.641871 Sb\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n",
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"volume": 133.65906336253255,
"volume_molar": 13.415228223648834,
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"spacegroup": 58
}
]
}