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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1207",
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"results": [
{
"id": "jvasp-62694",
"created_at": "2022-09-04T14:36:14.136238Z",
"updated_at": "2022-09-04T14:36:14.136258Z",
"structure_string": "Tb4 Mn4 B16\n1.0\n3.440373 0.000000 0.000000\n0.000000 5.913978 -0.000000\n0.000000 0.000000 11.434781\nTb Mn B\n4 4 16\ndirect\n0.000000 0.125394 0.849463 Tb\n0.000000 0.874607 0.150537 Tb\n0.000000 0.374606 0.349463 Tb\n0.000000 0.625394 0.650537 Tb\n0.000000 0.126805 0.583394 Mn\n0.000000 0.873195 0.416606 Mn\n0.000000 0.373195 0.083394 Mn\n0.000000 0.626805 0.916606 Mn\n0.500000 0.525062 0.190428 B\n0.500000 0.474938 0.809572 B\n0.500000 0.888107 0.546115 B\n0.500000 0.111894 0.453885 B\n0.500000 0.611894 0.046115 B\n0.500000 0.388107 0.953885 B\n0.500000 0.861053 0.967781 B\n0.500000 0.780087 0.816665 B\n0.500000 0.638947 0.467782 B\n0.500000 0.361053 0.532218 B\n0.500000 0.025062 0.309572 B\n0.500000 0.219913 0.183334 B\n0.500000 0.719913 0.316666 B\n0.500000 0.280087 0.683334 B\n0.500000 0.138947 0.032218 B\n0.500000 0.974938 0.690428 B\n",
"nsites": 24,
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"elements": [
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"volume": 232.65537298587319,
"volume_molar": 5.837847519546791,
"formula_full": "Tb4 Mn4 B16",
"formula_reduced": "TbMnB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.250742662452108,
"spacegroup": 55
},
{
"id": "jvasp-105389",
"created_at": "2022-09-04T14:36:57.348202Z",
"updated_at": "2022-09-04T14:36:57.348218Z",
"structure_string": "Tb2 Mn3 Al1\n1.0\n4.395947 0.000000 2.538001\n-2.930631 4.410702 0.000000\n-0.000000 0.000000 5.076002\nTb Mn Al\n2 3 1\ndirect\n0.738789 0.358182 0.380605 Tb\n0.261211 0.641818 0.619394 Tb\n0.500000 -0.000000 -0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Al\n",
"nsites": 6,
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"elements": [
"Tb",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Tb",
"density": 8.59876513765479,
"density_atomic": 0.060963417053184345,
"volume": 98.41968003147878,
"volume_molar": 9.878286111728773,
"formula_full": "Tb2 Mn3 Al1",
"formula_reduced": "Tb2Mn3Al",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.1842552206896557,
"spacegroup": 166
},
{
"id": "jvasp-110981",
"created_at": "2022-09-04T14:38:48.390584Z",
"updated_at": "2022-09-04T14:38:48.390616Z",
"structure_string": "Tb2 Mn2 Al2\n1.0\n4.688448 -0.019950 2.416802\n-3.126562 4.243209 0.206558\n-0.109789 -0.019950 5.273559\nTb Mn Al\n2 2 2\ndirect\n0.500001 0.762923 0.737078 Tb\n0.000001 0.987078 0.012923 Tb\n0.250001 0.875000 0.375000 Mn\n0.750001 0.375000 0.375000 Mn\n0.750000 0.375000 0.875000 Al\n0.250000 0.375000 0.375000 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Tb",
"density": 7.5544474634133625,
"density_atomic": 0.056667929847317264,
"volume": 105.87999272544536,
"volume_molar": 10.6270703310068,
"formula_full": "Tb2 Mn2 Al2",
"formula_reduced": "TbMnAl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1166661471264367,
"spacegroup": 74
},
{
"id": "jvasp-99497",
"created_at": "2022-09-04T14:36:33.423963Z",
"updated_at": "2022-09-04T14:36:33.423992Z",
"structure_string": "Tb3 Mg3 Tl3\n1.0\n7.537607 -0.000000 0.000000\n-3.768803 6.527760 0.000000\n-0.000000 -0.000000 4.633168\nTb Mg Tl\n3 3 3\ndirect\n0.571700 0.000000 -0.000000 Tb\n0.000000 0.571700 -0.000000 Tb\n0.428301 0.428300 -0.000000 Tb\n0.243795 0.000000 0.500000 Mg\n0.000000 0.243795 0.500000 Mg\n0.756206 0.756205 0.500000 Mg\n0.333334 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Tl"
],
"chemical_system": "Mg-Tb-Tl",
"density": 8.470200634546583,
"density_atomic": 0.039479058983842574,
"volume": 227.9689595358236,
"volume_molar": 15.2540129248386,
"formula_full": "Tb3 Mg3 Tl3",
"formula_reduced": "TbMgTl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0208762416666666,
"spacegroup": 189
},
{
"id": "jvasp-103317",
"created_at": "2022-09-04T14:36:53.307145Z",
"updated_at": "2022-09-04T14:36:53.307167Z",
"structure_string": "Tb1 Mg1 Tl2\n1.0\n4.544219 0.000000 2.623605\n1.514740 4.284330 2.623605\n0.000000 0.000000 5.247212\nTb Mg Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500001 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750001 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Tl"
],
"chemical_system": "Mg-Tb-Tl",
"density": 9.62271863719139,
"density_atomic": 0.039155178854937,
"volume": 102.1576230010158,
"volume_molar": 15.38018963547827,
"formula_full": "Tb1 Mg1 Tl2",
"formula_reduced": "TbMgTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-76201",
"created_at": "2022-09-04T14:35:48.991800Z",
"updated_at": "2022-09-04T14:35:48.991817Z",
"structure_string": "Tb2 Mg2 Sn2\n1.0\n4.393716 -0.000000 0.000000\n-0.000000 4.393716 0.000000\n-2.196859 -2.196859 7.934907\nTb Mg Sn\n2 2 2\ndirect\n0.666275 0.666275 0.332549 Tb\n0.333725 0.333725 0.667452 Tb\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 0.500000 -0.000000 Mg\n0.863448 0.863448 0.726897 Sn\n0.136552 0.136552 0.273104 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Tb",
"density": 6.5462779759721395,
"density_atomic": 0.03916926714731807,
"volume": 153.18131884963853,
"volume_molar": 15.374657731916075,
"formula_full": "Tb2 Mg2 Sn2",
"formula_reduced": "TbMgSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0939797166666667,
"spacegroup": 139
},
{
"id": "jvasp-110073",
"created_at": "2022-09-04T14:38:26.820430Z",
"updated_at": "2022-09-04T14:38:26.820455Z",
"structure_string": "Tb4 Mg2 Si4\n1.0\n7.173953 -0.000000 0.000000\n0.000000 7.173953 0.000000\n-0.000000 -0.000000 4.231718\nTb Mg Si\n4 2 4\ndirect\n0.678817 0.178817 0.500000 Tb\n0.321183 0.821183 0.500000 Tb\n0.178817 0.321183 0.500000 Tb\n0.821183 0.678817 0.500000 Tb\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.118322 0.618322 -0.000000 Si\n0.881677 0.381678 -0.000000 Si\n0.618322 0.881677 -0.000000 Si\n0.381678 0.118322 -0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Tb",
"density": 6.074139174321471,
"density_atomic": 0.04591623046639242,
"volume": 217.78791286709227,
"volume_molar": 13.11549467112245,
"formula_full": "Tb4 Mg2 Si4",
"formula_reduced": "Tb2MgSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6182466099999997,
"spacegroup": 127
},
{
"id": "jvasp-111839",
"created_at": "2022-09-04T14:38:39.099634Z",
"updated_at": "2022-09-04T14:38:39.099656Z",
"structure_string": "Tb4 Mg2 Se8\n1.0\n7.138753 -0.000000 4.121561\n2.379585 6.730481 4.121561\n0.000000 0.000000 8.243123\nTb Mg Se\n4 2 8\ndirect\n0.625000 0.125000 0.625000 Tb\n0.624999 0.625000 0.125000 Tb\n0.125000 0.625000 0.625000 Tb\n0.624999 0.625000 0.625000 Tb\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.378957 0.378958 0.378958 Se\n0.863127 0.378958 0.378958 Se\n0.378957 0.863127 0.378958 Se\n0.378957 0.378958 0.863127 Se\n0.871041 0.871042 0.386873 Se\n0.871041 0.386873 0.871042 Se\n0.386872 0.871042 0.871042 Se\n0.871041 0.871042 0.871042 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Tb",
"density": 5.517494515555809,
"density_atomic": 0.03534824017646525,
"volume": 396.0593209197769,
"volume_molar": 17.036606999206494,
"formula_full": "Tb4 Mg2 Se8",
"formula_reduced": "Tb2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9813441880952384,
"spacegroup": 227
},
{
"id": "jvasp-112714",
"created_at": "2022-09-04T14:38:42.524901Z",
"updated_at": "2022-09-04T14:38:42.524933Z",
"structure_string": "Tb8 Mg4 Se16\n1.0\n4.019654 -0.000000 0.000000\n0.000000 13.181713 0.000000\n-0.000000 -0.000000 14.042948\nTb Mg Se\n8 4 16\ndirect\n0.250000 0.116275 0.075268 Tb\n0.749999 0.883725 0.924732 Tb\n0.749999 0.383725 0.575268 Tb\n0.250000 0.616275 0.424732 Tb\n0.250000 0.140755 0.703068 Tb\n0.749999 0.859245 0.296932 Tb\n0.749999 0.359245 0.203068 Tb\n0.250000 0.640754 0.796932 Tb\n0.749999 0.610791 0.044801 Mg\n0.250000 0.389208 0.955200 Mg\n0.250000 0.889208 0.544801 Mg\n0.749999 0.110792 0.455199 Mg\n0.250000 0.739309 0.987132 Se\n0.749999 0.260691 0.012868 Se\n0.250000 0.722585 0.249168 Se\n0.749999 0.277415 0.750832 Se\n0.749999 0.777415 0.749168 Se\n0.250000 0.222585 0.250832 Se\n0.250000 0.529915 0.618364 Se\n0.250000 0.993018 0.382412 Se\n0.749999 0.970085 0.118364 Se\n0.250000 0.029915 0.881636 Se\n0.749999 0.506982 0.882413 Se\n0.250000 0.493018 0.117588 Se\n0.250000 0.239309 0.512868 Se\n0.749999 0.006982 0.617588 Se\n0.749999 0.470085 0.381636 Se\n0.749999 0.760691 0.487132 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Mg",
"Se"
],
"chemical_system": "Mg-Se-Tb",
"density": 5.873721259698155,
"density_atomic": 0.03763043338458218,
"volume": 744.0785949457619,
"volume_molar": 16.00337869738001,
"formula_full": "Tb8 Mg4 Se16",
"formula_reduced": "Tb2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.986878473809524,
"spacegroup": 62
},
{
"id": "jvasp-113126",
"created_at": "2022-09-04T14:38:42.314855Z",
"updated_at": "2022-09-04T14:38:42.314870Z",
"structure_string": "Tb4 Mg2 S8\n1.0\n6.724178 0.015810 -2.535270\n-3.212096 5.907390 -2.535270\n-0.009375 -0.015810 7.186242\nTb Mg S\n4 2 8\ndirect\n0.875000 0.755233 0.380233 Tb\n0.505234 0.125000 0.880233 Tb\n0.375000 0.494767 0.619767 Tb\n0.244767 0.625000 0.119767 Tb\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.507480 0.378357 0.263662 S\n0.756182 0.492520 0.870876 S\n0.114695 0.243819 0.736338 S\n0.621643 0.885305 0.129124 S\n0.242520 0.006181 0.370876 S\n0.993819 0.364695 0.236338 S\n0.635305 0.871643 0.629124 S\n0.128357 0.757480 0.763662 S\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.049074421655258674,
"volume": 285.2809982835488,
"volume_molar": 12.271445198691783,
"formula_full": "Tb4 Mg2 S8",
"formula_reduced": "Tb2MgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2758908357142855,
"spacegroup": 122
},
{
"id": "jvasp-119668",
"created_at": "2022-09-04T14:38:36.697099Z",
"updated_at": "2022-09-04T14:38:36.697125Z",
"structure_string": "Tb8 Mg4 S16\n1.0\n3.852830 -0.000000 0.000000\n0.000000 12.634766 0.000000\n-0.000000 -0.000000 13.386155\nTb Mg S\n8 4 16\ndirect\n0.250000 0.118360 0.075967 Tb\n0.750000 0.881640 0.924033 Tb\n0.750000 0.381640 0.575967 Tb\n0.250000 0.618360 0.424033 Tb\n0.250000 0.137331 0.705981 Tb\n0.750000 0.862670 0.294019 Tb\n0.750000 0.362669 0.205981 Tb\n0.250000 0.637331 0.794019 Tb\n0.750000 0.611433 0.047214 Mg\n0.250000 0.388567 0.952785 Mg\n0.250000 0.888568 0.547214 Mg\n0.750000 0.111433 0.452785 Mg\n0.250000 0.737222 0.984950 S\n0.750000 0.262778 0.015050 S\n0.250000 0.725601 0.249344 S\n0.750000 0.274400 0.750655 S\n0.750000 0.774400 0.749344 S\n0.250000 0.225601 0.250656 S\n0.250000 0.527412 0.616465 S\n0.250000 0.992467 0.384267 S\n0.750000 0.972589 0.116466 S\n0.250000 0.027412 0.883534 S\n0.750000 0.507533 0.884266 S\n0.250000 0.492467 0.115733 S\n0.250000 0.237222 0.515050 S\n0.750000 0.007533 0.615733 S\n0.750000 0.472588 0.383534 S\n0.750000 0.762779 0.484950 S\n",
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"elements": [
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"Mg",
"S"
],
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"density": 4.794993217311717,
"density_atomic": 0.04296898865304193,
"volume": 651.6327443982738,
"volume_molar": 14.015086109255378,
"formula_full": "Tb8 Mg4 S16",
"formula_reduced": "Tb2MgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2777379785714285,
"spacegroup": 62
},
{
"id": "jvasp-38794",
"created_at": "2022-09-04T14:37:52.597295Z",
"updated_at": "2022-09-04T14:37:52.597312Z",
"structure_string": "Tb1 Mg1 Rh2\n1.0\n0.000000 3.280594 3.280594\n3.280594 -0.000000 3.280594\n3.280594 3.280594 0.000000\nTb Mg Rh\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Tb\n0.249999 0.249999 0.249999 Mg\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
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"elements": [
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"Mg",
"Rh"
],
"chemical_system": "Mg-Rh-Tb",
"density": 9.14865828938046,
"density_atomic": 0.056646428975047944,
"volume": 70.61345388183165,
"volume_molar": 10.631103970653964,
"formula_full": "Tb1 Mg1 Rh2",
"formula_reduced": "TbMgRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4049133625,
"spacegroup": 225
}
]
}