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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1245",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1243",
"results": [
{
"id": "jvasp-2244",
"created_at": "2022-09-04T14:36:47.600378Z",
"updated_at": "2022-09-04T14:36:47.600403Z",
"structure_string": "Sb2 Te2 Se1\n1.0\n4.162151 -0.001044 9.517693\n1.989250 3.656006 9.517693\n-0.001757 -0.001044 10.387973\nSb Te Se\n2 2 1\ndirect\n0.892919 0.892924 0.892919 Sb\n0.107079 0.107079 0.107079 Sb\n0.715906 0.715910 0.715907 Te\n0.284091 0.284093 0.284092 Te\n0.499999 0.500002 0.499999 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Se"
],
"chemical_system": "Sb-Se-Te",
"density": 6.064491157911398,
"density_atomic": 0.03161025083379966,
"volume": 158.17653666492538,
"volume_molar": 19.051227374509633,
"formula_full": "Sb2 Te2 Se1",
"formula_reduced": "Sb2Te2Se",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.33131822,
"spacegroup": 166
},
{
"id": "jvasp-8670",
"created_at": "2022-09-04T14:36:52.566235Z",
"updated_at": "2022-09-04T14:36:52.566255Z",
"structure_string": "Sb2 Te2 I2\n1.0\n4.282476 0.000127 -0.000345\n-2.140743 6.947513 -0.092674\n-2.137393 -1.030896 7.342200\nSb Te I\n2 2 2\ndirect\n0.378346 0.511919 0.245405 Sb\n0.621656 0.488080 0.754595 Sb\n0.077804 0.252176 0.903149 Te\n0.922198 0.747823 0.096851 Te\n0.783578 0.202467 0.365059 I\n0.216424 0.797532 0.634940 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sb",
"Te",
"I"
],
"chemical_system": "I-Sb-Te",
"density": 5.731174605707423,
"density_atomic": 0.02751836244939753,
"volume": 218.03622984591368,
"volume_molar": 21.884081115196754,
"formula_full": "Sb2 Te2 I2",
"formula_reduced": "SbTeI",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-12144",
"created_at": "2022-09-04T14:37:33.354344Z",
"updated_at": "2022-09-04T14:37:33.354366Z",
"structure_string": "Sb2 Te1 Se2\n1.0\n4.044627 -0.026654 9.227801\n1.912081 3.564220 9.227801\n-0.044881 -0.026654 10.075184\nSb Te Se\n2 1 2\ndirect\n0.595653 0.595655 0.595652 Sb\n0.404346 0.404347 0.404346 Sb\n0.000000 0.000000 0.000000 Te\n0.210861 0.210862 0.210861 Se\n0.789138 0.789140 0.789137 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Se"
],
"chemical_system": "Sb-Se-Te",
"density": 5.94505647177033,
"density_atomic": 0.03383672965326089,
"volume": 147.7684176702976,
"volume_molar": 17.797644221860068,
"formula_full": "Sb2 Te1 Se2",
"formula_reduced": "Sb2TeSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4331133400000002,
"spacegroup": 166
},
{
"id": "jvasp-8174",
"created_at": "2022-09-04T14:37:03.066439Z",
"updated_at": "2022-09-04T14:37:03.066463Z",
"structure_string": "Sb2 Te1 Se2\n1.0\n4.053779 -0.017277 9.268967\n1.924353 3.567953 9.268967\n-0.029089 -0.017277 10.116622\nSb Te Se\n2 1 2\ndirect\n0.391894 0.391893 0.391895 Sb\n0.599603 0.599601 0.599604 Sb\n0.205782 0.205781 0.205782 Te\n0.996674 0.996671 0.996676 Se\n0.776947 0.776945 0.776949 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Se"
],
"chemical_system": "Sb-Se-Te",
"density": 5.937048257081384,
"density_atomic": 0.033791150305659774,
"volume": 147.96773577614894,
"volume_molar": 17.821650655649137,
"formula_full": "Sb2 Te1 Se2",
"formula_reduced": "Sb2TeSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.42547134,
"spacegroup": 160
},
{
"id": "jvasp-113729",
"created_at": "2022-09-04T14:38:46.527327Z",
"updated_at": "2022-09-04T14:38:46.527365Z",
"structure_string": "Sb2 Te1 O2\n1.0\n-0.379927 3.507997 4.426863\n3.507875 -0.379935 4.426863\n3.127948 3.128062 0.000000\nSb Te O\n2 1 2\ndirect\n0.668038 0.668036 0.331964 Sb\n0.413570 0.413569 0.086431 Sb\n0.032579 0.032579 0.467421 Te\n0.412199 0.412198 0.587802 O\n-0.026385 -0.026385 0.026385 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"Te",
"O"
],
"chemical_system": "O-Sb-Te",
"density": 6.216947991683089,
"density_atomic": 0.04643709982820585,
"volume": 107.67252947530123,
"volume_molar": 12.968382569710261,
"formula_full": "Sb2 Te1 O2",
"formula_reduced": "Sb2TeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.857569393333333,
"spacegroup": 44
},
{
"id": "jvasp-8396",
"created_at": "2022-09-04T14:37:06.591155Z",
"updated_at": "2022-09-04T14:37:06.591182Z",
"structure_string": "Sb2 S4\n1.0\n4.906272 -0.000000 -2.231425\n-1.014875 4.800158 -2.231425\n0.238424 0.294102 7.033689\nSb S\n2 4\ndirect\n0.250000 0.750000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.837663 0.875000 0.250000 S\n0.624999 0.162337 0.750000 S\n0.412337 0.375000 0.250000 S\n0.125000 0.587663 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sb",
"S"
],
"chemical_system": "S-Sb",
"density": 3.58741348272301,
"density_atomic": 0.03486563392018772,
"volume": 172.0892272813635,
"volume_molar": 17.272425832800053,
"formula_full": "Sb2 S4",
"formula_reduced": "SbS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6329787000000002,
"spacegroup": 122
},
{
"id": "jvasp-24901",
"created_at": "2022-09-04T14:37:43.575146Z",
"updated_at": "2022-09-04T14:37:43.575177Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n7.054386 -0.005294 -1.919556\n-3.361993 6.487411 -0.244130\n-0.073651 -0.021869 13.751012\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.565827 0.150494 0.716320 S\n0.434174 0.849507 0.283680 S\n0.172936 0.794870 0.967807 Cl\n0.891640 0.701235 0.592873 Cl\n0.148111 0.036970 0.185080 Cl\n0.827065 0.205130 0.032193 Cl\n0.384352 0.211870 0.596222 Cl\n0.772368 0.431132 0.802215 Cl\n0.366333 0.687910 0.612857 Cl\n0.693161 0.693161 -0.000000 Cl\n0.615649 0.788131 0.403778 Cl\n0.306840 0.306840 -0.000000 Cl\n0.108362 0.298765 0.407127 Cl\n0.075052 0.753475 0.387142 Cl\n0.628918 0.970152 0.197784 Cl\n0.924950 0.246526 0.612857 Cl\n0.633668 0.312090 0.387142 Cl\n0.227633 0.568868 0.197785 Cl\n0.371084 0.029848 0.802215 Cl\n0.851891 0.963031 0.814920 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.500985904168669,
"density_atomic": 0.03503351238686429,
"volume": 627.9701491834667,
"volume_molar": 17.189657415731975,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4434647915909088,
"spacegroup": 12
},
{
"id": "jvasp-58912",
"created_at": "2022-09-04T14:37:02.701674Z",
"updated_at": "2022-09-04T14:37:02.701693Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n8.289175 -0.121491 2.234965\n1.709700 8.111851 2.234965\n-0.116474 -0.093078 8.592851\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.500000 Sb\n0.706324 0.706323 0.706505 S\n0.293677 0.293676 0.293496 S\n0.968131 0.968130 0.293210 Cl\n0.653425 0.653424 0.953432 Cl\n0.346576 0.346576 0.046568 Cl\n0.046567 0.346385 0.346242 Cl\n0.653615 0.953433 0.653759 Cl\n0.953434 0.653615 0.653759 Cl\n0.346386 0.046567 0.346242 Cl\n0.685564 0.685564 0.358831 Cl\n0.314437 0.314436 0.641170 Cl\n0.358338 0.685253 0.685421 Cl\n0.641663 0.314747 0.314580 Cl\n0.685254 0.358337 0.685421 Cl\n0.968351 0.293389 0.968393 Cl\n0.706611 0.031650 0.031607 Cl\n0.031650 0.706610 0.031607 Cl\n0.293390 0.968349 0.968394 Cl\n0.031870 0.031870 0.706791 Cl\n0.314747 0.641662 0.314580 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.6935092761881094,
"density_atomic": 0.03773035683015433,
"volume": 583.0848645040502,
"volume_molar": 15.960996041222353,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4429802461363634,
"spacegroup": 166
},
{
"id": "jvasp-13425",
"created_at": "2022-09-04T14:36:41.226738Z",
"updated_at": "2022-09-04T14:36:41.226772Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n8.290076 -0.121868 2.234658\n1.709531 8.112812 2.234658\n-0.116956 -0.093463 8.593405\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.706418 0.706418 0.706590 S\n0.293582 0.293582 0.293411 S\n0.968146 0.968146 0.293170 Cl\n0.653538 0.653539 0.953485 Cl\n0.346462 0.346461 0.046516 Cl\n0.046511 0.346277 0.346148 Cl\n0.653723 0.953488 0.653853 Cl\n0.953489 0.653723 0.653853 Cl\n0.346277 0.046511 0.346148 Cl\n0.685543 0.685543 0.358880 Cl\n0.314457 0.314457 0.641121 Cl\n0.358394 0.685233 0.685404 Cl\n0.641605 0.314767 0.314597 Cl\n0.685233 0.358395 0.685404 Cl\n0.968359 0.293347 0.968397 Cl\n0.706653 0.031641 0.031604 Cl\n0.031641 0.706653 0.031604 Cl\n0.293347 0.968359 0.968397 Cl\n0.031854 0.031854 0.706831 Cl\n0.314767 0.641605 0.314597 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.692638259482217,
"density_atomic": 0.03771815573197773,
"volume": 583.2734812468108,
"volume_molar": 15.966159116561432,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4429702461363634,
"spacegroup": 166
},
{
"id": "jvasp-79582",
"created_at": "2022-09-04T14:37:12.589113Z",
"updated_at": "2022-09-04T14:37:12.589123Z",
"structure_string": "Sb2 S2\n1.0\n2.704086 -3.034872 0.100933\n-3.168137 -2.889360 -2.016785\n-2.332104 -2.325504 -7.653739\nSb S\n2 2\ndirect\n0.750155 0.106714 0.653363 Sb\n0.249845 0.893284 0.346638 Sb\n0.250272 0.569591 0.755724 S\n0.749728 0.430407 0.244276 S\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "S-Sb",
"density": 4.797020484301083,
"density_atomic": 0.037559996873132044,
"volume": 106.49628149626757,
"volume_molar": 16.03338993967767,
"formula_full": "Sb2 S2",
"formula_reduced": "SbS",
"formula_anonymous": "AB",
"energy_above_hull": 1.1078980500000002,
"spacegroup": 11
},
{
"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",
"nsites": 5,
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"elements": [
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"S",
"O"
],
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"density": 5.3009174180609895,
"density_atomic": 0.05189296520124093,
"volume": 96.35217376016188,
"volume_molar": 11.604927058313466,
"formula_full": "Sb2 S1 O2",
"formula_reduced": "Sb2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.06085184,
"spacegroup": 44
},
{
"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",
"nsites": 5,
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"elements": [
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],
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"density": 6.217263973862457,
"density_atomic": 0.06086347656413565,
"volume": 82.15107454026534,
"volume_molar": 9.894506689334602,
"formula_full": "Sb2 S1 O2",
"formula_reduced": "Sb2SO2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
}
]
}