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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3849",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3847",
"results": [
{
"id": "jvasp-14412",
"created_at": "2022-09-04T14:38:35.980452Z",
"updated_at": "2022-09-04T14:38:35.980477Z",
"structure_string": "Tb4 Si6\n1.0\n4.340125 0.000000 0.000000\n0.000000 4.113340 -0.725546\n-0.000000 0.040317 12.251232\nTb Si\n4 6\ndirect\n0.250000 0.252573 0.505145 Tb\n0.750001 0.747428 0.494854 Tb\n0.250000 0.616627 0.233254 Tb\n0.750001 0.383373 0.766745 Tb\n0.250000 0.480135 0.960269 Si\n0.750001 0.519865 0.039731 Si\n0.250000 0.835380 0.670759 Si\n0.750001 0.164621 0.329241 Si\n0.750001 0.069187 0.138373 Si\n0.250000 0.930814 0.861627 Si\n",
"nsites": 10,
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],
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"density": 6.102282522093602,
"density_atomic": 0.04569528264855128,
"volume": 218.84097045446418,
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"formula_full": "Tb4 Si6",
"formula_reduced": "Tb2Si3",
"formula_anonymous": "A2B3",
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"spacegroup": 63
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{
"id": "jvasp-21833",
"created_at": "2022-09-04T14:37:31.323050Z",
"updated_at": "2022-09-04T14:37:31.323071Z",
"structure_string": "Tb4 Si10 Rh6\n1.0\n5.431061 -0.011456 -1.874746\n-2.985061 7.560763 -0.467403\n-0.029068 0.024588 8.142036\nTb Si Rh\n4 10 6\ndirect\n0.736824 0.598922 0.866306 Tb\n0.263175 0.401078 0.133694 Tb\n0.236825 0.866306 0.598923 Tb\n0.763175 0.133694 0.401078 Tb\n0.250000 0.212427 0.787573 Si\n0.750000 0.787572 0.212427 Si\n0.162013 0.057363 0.264892 Si\n0.750000 0.489703 0.510296 Si\n0.250000 0.510296 0.489704 Si\n0.662012 0.264891 0.057363 Si\n0.837987 0.942636 0.735109 Si\n0.337987 0.735108 0.942637 Si\n0.250000 0.775228 0.224771 Si\n0.750000 0.224771 0.775229 Si\n0.750000 0.997874 0.002125 Rh\n0.123929 0.462693 0.742180 Rh\n0.623929 0.742179 0.462693 Rh\n0.876070 0.537306 0.257820 Rh\n0.250000 0.002125 0.997875 Rh\n0.376070 0.257820 0.537307 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Tb",
"density": 7.630023440150417,
"density_atomic": 0.05990794352889827,
"volume": 333.8455440446298,
"volume_molar": 10.052324291677701,
"formula_full": "Tb4 Si10 Rh6",
"formula_reduced": "Tb2Si5Rh3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.16807288,
"spacegroup": 15
},
{
"id": "jvasp-22277",
"created_at": "2022-09-04T14:37:53.148802Z",
"updated_at": "2022-09-04T14:37:53.148820Z",
"structure_string": "Tb4 Si10 Ru6\n1.0\n5.316168 -0.000000 1.924769\n2.061620 7.568599 2.609804\n0.013346 -0.009530 8.267090\nTb Si Ru\n4 10 6\ndirect\n0.635486 0.096789 0.632240 Tb\n0.864515 0.367760 0.903211 Tb\n0.135486 0.632240 0.096788 Tb\n0.364515 0.903211 0.367760 Tb\n0.095461 0.236157 0.572923 Si\n0.904540 0.763843 0.427077 Si\n0.250000 0.000000 0.000000 Si\n0.458751 0.291249 0.291249 Si\n0.041249 0.708751 0.708751 Si\n0.541250 0.708751 0.708751 Si\n0.958752 0.291249 0.291249 Si\n0.750000 0.000000 0.000000 Si\n0.404540 0.427077 0.763843 Si\n0.595461 0.572923 0.236157 Si\n0.854277 0.052039 0.239408 Ru\n0.750001 0.500000 0.500000 Ru\n0.354276 0.239409 0.052039 Ru\n0.645725 0.760592 0.947960 Ru\n0.145725 0.947961 0.760591 Ru\n0.250000 0.500000 0.500000 Ru\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Tb",
"density": 7.6051190573482526,
"density_atomic": 0.06014419852564607,
"volume": 332.5341510947528,
"volume_molar": 10.012837326998548,
"formula_full": "Tb4 Si10 Ru6",
"formula_reduced": "Tb2Si5Ru3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.75922113,
"spacegroup": 72
},
{
"id": "jvasp-107282",
"created_at": "2022-09-04T14:36:45.148671Z",
"updated_at": "2022-09-04T14:36:45.148681Z",
"structure_string": "Tb2 Si1 Ge1\n1.0\n5.745844 -0.009200 0.000000\n-4.130808 3.993899 0.000000\n0.000000 -0.000000 3.911205\nTb Si Ge\n2 1 1\ndirect\n0.138759 0.861241 0.499999 Tb\n0.860149 0.139850 -0.000000 Tb\n0.582338 0.417661 -0.000000 Si\n0.418752 0.581247 0.499999 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ge"
],
"chemical_system": "Ge-Si-Tb",
"density": 7.756788453742487,
"density_atomic": 0.044639396057513867,
"volume": 89.6069470753224,
"volume_molar": 13.490641209036545,
"formula_full": "Tb2 Si1 Ge1",
"formula_reduced": "Tb2SiGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4832228374999998,
"spacegroup": 38
},
{
"id": "jvasp-98983",
"created_at": "2022-09-04T14:35:51.190264Z",
"updated_at": "2022-09-04T14:35:51.190290Z",
"structure_string": "Tb8 Si4 Se4 O16\n1.0\n6.061404 0.000000 0.000000\n0.000000 6.982388 0.000000\n0.000000 0.000000 10.848455\nTb Si Se O\n8 4 4 16\ndirect\n0.131841 0.028470 0.250000 Tb\n0.868159 0.528470 0.250000 Tb\n0.868159 0.971530 0.750000 Tb\n0.607384 0.250000 0.000000 Tb\n0.607384 0.250000 0.500000 Tb\n0.392616 0.750000 0.000000 Tb\n0.392616 0.750000 0.500000 Tb\n0.131841 0.471530 0.750000 Tb\n0.111873 0.250000 0.500000 Si\n0.888127 0.750000 0.500000 Si\n0.888127 0.750000 0.000000 Si\n0.111873 0.250000 0.000000 Si\n0.422628 0.377035 0.250000 Se\n0.422628 0.122965 0.750000 Se\n0.577371 0.877036 0.250000 Se\n0.577371 0.622965 0.750000 Se\n0.275195 0.068829 0.467799 O\n0.945268 0.259463 0.379383 O\n0.945268 0.240537 0.620618 O\n0.945268 0.240537 0.879383 O\n0.945268 0.259463 0.120617 O\n0.054732 0.759463 0.120617 O\n0.054732 0.759463 0.379383 O\n0.275195 0.068829 0.032201 O\n0.275195 0.431171 0.967799 O\n0.724804 0.568830 0.467799 O\n0.724804 0.931171 0.532201 O\n0.724804 0.931171 0.967799 O\n0.724804 0.568830 0.032201 O\n0.275195 0.431171 0.532201 O\n0.054732 0.740537 0.879383 O\n0.054732 0.740537 0.620618 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Tb",
"Si",
"Se",
"O"
],
"chemical_system": "O-Se-Si-Tb",
"density": 7.072590563313916,
"density_atomic": 0.06969552229926913,
"volume": 459.13996974717514,
"volume_molar": 8.640642269873844,
"formula_full": "Tb8 Si4 Se4 O16",
"formula_reduced": "Tb2SiSeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.078185345833333,
"spacegroup": 57
},
{
"id": "jvasp-21257",
"created_at": "2022-09-04T14:38:05.688791Z",
"updated_at": "2022-09-04T14:38:05.688810Z",
"structure_string": "Tb4 Sn4 O14\n1.0\n6.427666 0.000000 3.711014\n2.142555 6.060061 3.711014\n0.000000 0.000000 7.422029\nTb Sn O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.500000 0.500000 Tb\n0.500000 -0.000000 0.500000 Tb\n0.500000 0.500000 -0.000001 Tb\n0.000000 0.000000 0.000000 Sn\n-0.000000 -0.000000 0.500000 Sn\n0.500000 -0.000000 -0.000000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.088821 0.661179 0.088821 O\n0.661179 0.088821 0.661178 O\n0.661179 0.088821 0.088821 O\n0.625000 0.625000 0.624999 O\n0.911179 0.338821 0.338820 O\n0.338821 0.911179 0.338821 O\n0.338821 0.338821 0.911178 O\n0.911179 0.911179 0.338820 O\n0.911179 0.338821 0.911178 O\n0.088821 0.661179 0.661179 O\n0.338821 0.911179 0.911178 O\n0.375000 0.375000 0.375000 O\n0.661179 0.661179 0.088821 O\n0.088821 0.088821 0.661179 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Sn",
"O"
],
"chemical_system": "O-Sn-Tb",
"density": 7.665234942166438,
"density_atomic": 0.0760973856409155,
"volume": 289.1032302188736,
"volume_molar": 7.913728847948829,
"formula_full": "Tb4 Sn4 O14",
"formula_reduced": "Tb2Sn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.0088349727272727,
"spacegroup": 227
},
{
"id": "jvasp-34443",
"created_at": "2022-09-04T14:38:14.433463Z",
"updated_at": "2022-09-04T14:38:14.433487Z",
"structure_string": "Tb4 Sn2 S10\n1.0\n3.822849 0.000000 0.000000\n0.000000 7.735219 0.000000\n0.000000 -0.000000 11.404849\nTb Sn S\n4 2 10\ndirect\n0.500000 0.971587 0.327239 Tb\n0.500000 0.471587 0.172761 Tb\n0.500000 0.528413 0.827239 Tb\n0.500000 0.028413 0.672761 Tb\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.670513 0.598142 S\n0.000000 0.178309 0.195506 S\n0.500000 0.170513 0.901858 S\n0.000000 0.000000 0.500000 S\n0.500000 0.829487 0.098142 S\n0.000000 0.678310 0.304494 S\n0.000000 0.321691 0.695506 S\n0.000000 0.821691 0.804494 S\n0.500000 0.329487 0.401858 S\n0.000000 0.500000 0.000000 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Sn",
"S"
],
"chemical_system": "S-Sn-Tb",
"density": 5.877883442883868,
"density_atomic": 0.047442840699521094,
"volume": 337.247933810201,
"volume_molar": 12.693465802651211,
"formula_full": "Tb4 Sn2 S10",
"formula_reduced": "Tb2SnS5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.6587973125,
"spacegroup": 55
},
{
"id": "jvasp-7751",
"created_at": "2022-09-04T14:37:10.175112Z",
"updated_at": "2022-09-04T14:37:10.175124Z",
"structure_string": "Tb2 S1 O2\n1.0\n1.910425 -3.308954 0.000000\n1.910425 3.308954 0.000000\n0.000000 -0.000000 6.628239\nTb S O\n2 1 2\ndirect\n0.666668 0.333334 0.281614 Tb\n0.333334 0.666668 0.718387 Tb\n0.000000 0.000000 0.000000 S\n0.666668 0.333334 0.629477 O\n0.333334 0.666668 0.370523 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"O"
],
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"density": 7.567742858933023,
"density_atomic": 0.0596652035308019,
"volume": 83.80093763392212,
"volume_molar": 10.093220845029206,
"formula_full": "Tb2 S1 O2",
"formula_reduced": "Tb2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3531167599999998,
"spacegroup": 164
},
{
"id": "jvasp-119415",
"created_at": "2022-09-04T14:38:32.818350Z",
"updated_at": "2022-09-04T14:38:32.818369Z",
"structure_string": "Tb8 Te12\n1.0\n13.541546 -0.037156 5.029470\n11.694934 6.831182 2.514378\n-0.002252 0.008376 7.543848\nTb Te\n8 12\ndirect\n0.332874 0.332873 0.167127 Tb\n0.167127 0.167127 0.332873 Tb\n0.917127 0.917126 0.082873 Tb\n0.082873 0.082874 0.917127 Tb\n0.999836 0.999835 0.500165 Tb\n0.500165 0.500165 0.999836 Tb\n0.250164 0.250165 0.749836 Tb\n0.749836 0.749835 0.250165 Tb\n0.418222 0.914917 0.584474 Te\n0.584474 0.082387 0.418222 Te\n0.167613 0.665526 0.335083 Te\n0.335083 0.831778 0.167613 Te\n0.831779 0.335083 0.665526 Te\n0.503947 0.996053 0.996053 Te\n0.746053 0.253947 0.253947 Te\n0.253947 0.746053 0.746053 Te\n0.914918 0.418221 0.082387 Te\n0.996054 0.503947 0.503947 Te\n0.665526 0.167613 0.831778 Te\n0.082387 0.584474 0.914917 Te\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 6.635012901706559,
"density_atomic": 0.02851419519904942,
"volume": 701.4050321387554,
"volume_molar": 21.11979916655954,
"formula_full": "Tb8 Te12",
"formula_reduced": "Tb2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.8996660200000002,
"spacegroup": 70
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{
"id": "jvasp-3333",
"created_at": "2022-09-04T14:36:20.328743Z",
"updated_at": "2022-09-04T14:36:20.328766Z",
"structure_string": "Tb2 Te1 O2\n1.0\n3.771277 -0.000000 -1.137240\n-0.342938 3.755652 -1.137240\n0.005162 0.005655 6.838827\nTb Te O\n2 1 2\ndirect\n0.661308 0.661308 0.322615 Tb\n0.338692 0.338693 0.677385 Tb\n0.000000 0.000000 0.000000 Te\n0.250000 0.750000 0.500000 O\n0.750000 0.250001 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Te",
"O"
],
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"density": 8.180949609822681,
"density_atomic": 0.05159376030118874,
"volume": 96.91094370349272,
"volume_molar": 11.67222688333738,
"formula_full": "Tb2 Te1 O2",
"formula_reduced": "Tb2TeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1987883133333337,
"spacegroup": 139
},
{
"id": "jvasp-110158",
"created_at": "2022-09-04T14:38:07.824149Z",
"updated_at": "2022-09-04T14:38:07.824179Z",
"structure_string": "Tb2 Te1 S2\n1.0\n5.005257 -0.008025 -5.643798\n-0.469891 4.003714 -6.376096\n0.029409 0.008025 7.543486\nTb Te S\n2 1 2\ndirect\n0.833019 0.333018 0.500000 Tb\n0.166982 0.666982 0.500000 Tb\n0.000000 0.000000 0.000000 Te\n0.701338 0.701336 -0.000002 S\n0.298662 0.298661 -0.000001 S\n",
"nsites": 5,
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"elements": [
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],
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"density": 5.563906342257449,
"density_atomic": 0.0328766642654542,
"volume": 152.08355566820228,
"volume_molar": 18.3173715903042,
"formula_full": "Tb2 Te1 S2",
"formula_reduced": "Tb2TeS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.2173649133333333,
"spacegroup": 71
},
{
"id": "jvasp-119138",
"created_at": "2022-09-04T14:38:53.073856Z",
"updated_at": "2022-09-04T14:38:53.073882Z",
"structure_string": "Tb2 Ti2 Fe22 H1\n1.0\n4.692073 -0.000000 -0.000000\n-2.346036 5.929125 -0.007380\n-0.000000 -0.001591 11.856947\nTb Ti Fe H\n2 2 22 1\ndirect\n0.002868 0.005736 0.002763 Tb\n0.502652 0.005306 0.502779 Tb\n0.312908 0.625818 0.313914 Ti\n0.814405 0.628813 0.813427 Ti\n0.175925 0.351852 0.176155 Fe\n0.322756 0.645513 0.679275 Fe\n0.821079 0.642160 0.178888 Fe\n0.179874 0.359750 0.822079 Fe\n0.678230 0.356462 0.321717 Fe\n0.500236 0.501178 0.001180 Fe\n-0.000210 0.500763 0.501432 Fe\n0.000941 0.501178 0.001180 Fe\n0.500973 0.500763 0.501432 Fe\n0.252082 0.003789 0.749564 Fe\n0.751707 0.003789 0.749564 Fe\n0.676720 0.353441 0.676576 Fe\n0.250015 0.001423 0.251407 Fe\n0.116967 0.233934 0.616179 Fe\n0.614560 0.229121 0.115324 Fe\n0.387126 0.774254 0.886222 Fe\n0.885301 0.770603 0.386174 Fe\n0.610278 0.220557 0.888786 Fe\n0.108701 0.217404 0.391178 Fe\n0.890840 0.781683 0.608738 Fe\n0.389109 0.778219 0.110290 Fe\n0.751407 0.001423 0.251407 Fe\n0.502539 0.005078 0.002367 H\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Tb",
"Ti",
"Fe",
"H"
],
"chemical_system": "Fe-H-Tb-Ti",
"density": 8.271928325665284,
"density_atomic": 0.081853186586554,
"volume": 329.8588744794853,
"volume_molar": 7.357246566854194,
"formula_full": "Tb2 Ti2 Fe22 H1",
"formula_reduced": "Tb2Ti2Fe22H",
"formula_anonymous": "AB2C2D22",
"energy_above_hull": 4.203098683950617,
"spacegroup": 8
}
]
}