HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=718",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=716",
"results": [
{
"id": "jvasp-38897",
"created_at": "2022-09-04T14:37:37.309881Z",
"updated_at": "2022-09-04T14:37:37.309903Z",
"structure_string": "Bi4 Rh6 S4\n1.0\n-5.760412 -4.202713 0.049359\n5.760412 -4.202713 -0.049359\n0.152514 4.202713 5.858216\nBi Rh S\n4 6 4\ndirect\n0.252853 0.994286 0.247138 Bi\n0.748651 0.497883 0.246533 Bi\n0.251350 0.502117 0.753468 Bi\n0.747148 0.005714 0.752863 Bi\n-0.000000 0.499999 -0.000000 Rh\n0.246251 0.246251 -0.000000 Rh\n0.753748 0.753748 -0.000000 Rh\n0.500000 0.000001 0.000000 Rh\n0.004317 0.243582 0.247897 Rh\n-0.004315 0.756418 0.752103 Rh\n0.304210 0.548313 0.308082 S\n0.759769 0.003872 0.308082 S\n0.695790 0.451688 0.691918 S\n0.240231 0.996129 0.691919 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Bi",
"Rh",
"S"
],
"chemical_system": "Bi-Rh-S",
"density": 9.257084666126392,
"density_atomic": 0.049346062984169596,
"volume": 283.7105769611499,
"volume_molar": 12.203893068291842,
"formula_full": "Bi4 Rh6 S4",
"formula_reduced": "Bi2Rh3S2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.2700068000000004,
"spacegroup": 12
},
{
"id": "jvasp-96989",
"created_at": "2022-09-04T14:35:49.875545Z",
"updated_at": "2022-09-04T14:35:49.875572Z",
"structure_string": "Bi4 Ru4 O14\n1.0\n6.348930 -0.000000 3.665556\n2.116310 5.985828 3.665556\n0.000000 -0.000000 7.331113\nBi Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Bi\n-0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n-0.000000 0.500000 0.000000 Ru\n0.077477 0.672523 0.077478 O\n0.672523 0.077477 0.672523 O\n0.672523 0.077477 0.077478 O\n0.625000 0.625000 0.625000 O\n0.922523 0.327477 0.327478 O\n0.327477 0.922523 0.327478 O\n0.327477 0.327477 0.922523 O\n0.922523 0.922523 0.327478 O\n0.922523 0.327477 0.922523 O\n0.077477 0.672523 0.672523 O\n0.327477 0.922523 0.922523 O\n0.375000 0.375000 0.375000 O\n0.672523 0.672523 0.077478 O\n0.077477 0.077477 0.672523 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Bi",
"Ru",
"O"
],
"chemical_system": "Bi-O-Ru",
"density": 8.72675527410098,
"density_atomic": 0.07896379183096458,
"volume": 278.6087077365122,
"volume_molar": 7.626458431595354,
"formula_full": "Bi4 Ru4 O14",
"formula_reduced": "Bi2Ru2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.925661281818181,
"spacegroup": 227
},
{
"id": "jvasp-24633",
"created_at": "2022-09-04T14:37:12.288471Z",
"updated_at": "2022-09-04T14:37:12.288498Z",
"structure_string": "Bi4 S2 O4\n1.0\n3.869784 0.000000 0.000000\n0.000000 3.881372 0.000000\n0.000000 -0.000000 12.097199\nBi S O\n4 2 4\ndirect\n0.499999 0.452066 0.856875 Bi\n0.499999 0.547934 0.143126 Bi\n0.000000 0.952065 0.643126 Bi\n0.000000 0.047934 0.356874 Bi\n0.000000 0.000000 0.000000 S\n0.499999 0.500000 0.500000 S\n0.000000 0.464114 0.749683 O\n0.000000 0.535886 0.250317 O\n0.499999 0.964113 0.750317 O\n0.499999 0.035886 0.249683 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Bi",
"S",
"O"
],
"chemical_system": "Bi-O-S",
"density": 8.81031584558745,
"density_atomic": 0.05503553364342961,
"volume": 181.7007910705313,
"volume_molar": 10.942277400300906,
"formula_full": "Bi4 S2 O4",
"formula_reduced": "Bi2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5921791199999995,
"spacegroup": 58
},
{
"id": "jvasp-22531",
"created_at": "2022-09-04T14:36:57.872298Z",
"updated_at": "2022-09-04T14:36:57.872330Z",
"structure_string": "Bi4 S2 O4\n1.0\n3.869820 0.000000 0.000000\n0.000000 3.881787 0.000000\n0.000000 0.000000 12.096678\nBi S O\n4 2 4\ndirect\n0.500000 0.451376 0.856872 Bi\n0.500000 0.548625 0.143128 Bi\n0.000000 0.951376 0.643128 Bi\n0.000000 0.048624 0.356872 Bi\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n0.000000 0.463587 0.749673 O\n0.000000 0.536413 0.250327 O\n0.500000 0.963588 0.750327 O\n0.500000 0.036413 0.249673 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Bi",
"S",
"O"
],
"chemical_system": "Bi-O-S",
"density": 8.809671400788993,
"density_atomic": 0.05503150798033098,
"volume": 181.71408284094517,
"volume_molar": 10.943077849424727,
"formula_full": "Bi4 S2 O4",
"formula_reduced": "Bi2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5921791199999995,
"spacegroup": 58
},
{
"id": "jvasp-5254",
"created_at": "2022-09-04T14:37:35.022005Z",
"updated_at": "2022-09-04T14:37:35.022033Z",
"structure_string": "Bi4 S4 Br4\n1.0\n4.093339 0.000000 0.000000\n0.000000 8.267740 0.000000\n0.000000 0.000000 9.879506\nBi S Br\n4 4 4\ndirect\n0.750000 0.361016 0.632451 Bi\n0.250000 0.638984 0.367549 Bi\n0.750000 0.861016 0.867549 Bi\n0.250000 0.138984 0.132451 Bi\n0.250000 0.333028 0.447341 S\n0.750000 0.166972 0.947342 S\n0.250000 0.833028 0.052659 S\n0.750000 0.666972 0.552659 S\n0.750000 0.489331 0.173587 Br\n0.250000 0.010669 0.673588 Br\n0.750000 0.989331 0.326413 Br\n0.250000 0.510668 0.826413 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"S",
"Br"
],
"chemical_system": "Bi-Br-S",
"density": 6.375964694892175,
"density_atomic": 0.03589066396762259,
"volume": 334.3487880532204,
"volume_molar": 16.779128871599166,
"formula_full": "Bi4 S4 Br4",
"formula_reduced": "BiSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5994728016666667,
"spacegroup": 62
},
{
"id": "jvasp-12514",
"created_at": "2022-09-04T14:38:15.464867Z",
"updated_at": "2022-09-04T14:38:15.464876Z",
"structure_string": "Bi4 S4 Cl4\n1.0\n4.023215 0.000000 0.000000\n-0.000000 7.848498 0.000000\n0.000000 0.000000 9.935127\nBi S Cl\n4 4 4\ndirect\n0.250000 0.642279 0.365279 Bi\n0.750001 0.357722 0.634722 Bi\n0.250000 0.142279 0.134721 Bi\n0.750001 0.857722 0.865279 Bi\n0.750001 0.678764 0.550231 S\n0.250000 0.821236 0.050230 S\n0.750001 0.178764 0.949770 S\n0.250000 0.321236 0.449770 S\n0.250000 0.516824 0.810494 Cl\n0.750001 0.983177 0.310494 Cl\n0.250000 0.016823 0.689506 Cl\n0.750001 0.483177 0.189506 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"S",
"Cl"
],
"chemical_system": "Bi-Cl-S",
"density": 5.854212659671623,
"density_atomic": 0.03825146115243324,
"volume": 313.7135063201804,
"volume_molar": 15.7435574447773,
"formula_full": "Bi4 S4 Cl4",
"formula_reduced": "BiSCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6175261225,
"spacegroup": 62
},
{
"id": "jvasp-5269",
"created_at": "2022-09-04T14:36:18.850519Z",
"updated_at": "2022-09-04T14:36:18.850536Z",
"structure_string": "Bi4 S4 I4\n1.0\n4.197506 0.000000 0.000000\n-0.000000 8.617433 0.000000\n0.000000 0.000000 10.440905\nBi S I\n4 4 4\ndirect\n0.750001 0.368017 0.623549 Bi\n0.250000 0.631982 0.376451 Bi\n0.750001 0.868017 0.876450 Bi\n0.250000 0.131983 0.123549 Bi\n0.250000 0.339246 0.451119 S\n0.750001 0.160754 0.951119 S\n0.250000 0.839245 0.048881 S\n0.750001 0.660754 0.548880 S\n0.750001 0.489834 0.170675 I\n0.250000 0.010166 0.670674 I\n0.750001 0.989834 0.329325 I\n0.250000 0.510166 0.829325 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"S",
"I"
],
"chemical_system": "Bi-I-S",
"density": 6.471282473483224,
"density_atomic": 0.03177414409726886,
"volume": 377.66556239138663,
"volume_molar": 18.952959807712435,
"formula_full": "Bi4 S4 I4",
"formula_reduced": "BiSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.578533525,
"spacegroup": 62
},
{
"id": "jvasp-30460",
"created_at": "2022-09-04T14:38:10.199980Z",
"updated_at": "2022-09-04T14:38:10.200011Z",
"structure_string": "Bi4 S8\n1.0\n-1.236441 3.861332 0.000000\n-6.680704 -0.010608 -4.838275\n-6.569548 0.024985 6.639002\nBi S\n4 8\ndirect\n0.294682 0.301735 0.108899 Bi\n0.396766 0.826172 0.380293 Bi\n0.603232 0.173826 0.619708 Bi\n0.705316 0.698265 0.891102 Bi\n0.345468 0.469740 0.839322 S\n0.786911 0.078354 0.347822 S\n0.923410 0.619688 0.533488 S\n0.213086 0.921645 0.652179 S\n0.036284 0.876408 0.051022 S\n0.076587 0.380311 0.466514 S\n0.654530 0.530258 0.160679 S\n0.963714 0.123591 0.948979 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"S"
],
"chemical_system": "Bi-S",
"density": 6.171604831184127,
"density_atomic": 0.040825548592800624,
"volume": 293.9335884911082,
"volume_molar": 14.750912033211414,
"formula_full": "Bi4 S8",
"formula_reduced": "BiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2681181,
"spacegroup": 12
},
{
"id": "jvasp-30774",
"created_at": "2022-09-04T14:38:04.765085Z",
"updated_at": "2022-09-04T14:38:04.765106Z",
"structure_string": "Bi4 Sb4 O20\n1.0\n5.303690 0.470494 0.000000\n-1.591083 7.811102 0.000000\n0.000000 0.000000 9.969054\nBi Sb O\n4 4 20\ndirect\n0.159728 0.118214 0.108788 Bi\n0.840273 0.881785 0.891211 Bi\n0.659728 0.618214 0.391212 Bi\n0.340273 0.381785 0.608788 Bi\n0.745085 0.987252 0.590381 Sb\n0.254915 0.012747 0.409619 Sb\n0.754915 0.512747 0.090381 Sb\n0.245085 0.487252 0.909618 Sb\n0.585614 0.630448 0.930896 O\n0.914386 0.869551 0.430897 O\n0.661172 0.061371 0.770776 O\n0.056248 0.661912 0.008148 O\n0.220389 0.004475 0.922586 O\n0.395037 0.303904 0.807209 O\n0.161172 0.561371 0.729224 O\n0.779611 0.995524 0.077414 O\n0.085614 0.130448 0.569103 O\n0.338828 -0.061372 0.229224 O\n0.556248 0.161911 0.491852 O\n0.443753 0.838088 0.508148 O\n-0.104963 0.803904 0.692790 O\n0.838828 0.438628 0.270776 O\n0.720389 0.504475 0.577414 O\n0.604963 0.696096 0.192790 O\n0.943752 0.338088 -0.008148 O\n0.414386 0.369551 0.069103 O\n0.279611 0.495524 0.422586 O\n0.104963 0.196096 0.307209 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-O-Sb",
"density": 6.488605029526071,
"density_atomic": 0.06659414259852518,
"volume": 420.45739921607003,
"volume_molar": 9.043048720223883,
"formula_full": "Bi4 Sb4 O20",
"formula_reduced": "BiSbO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.243595414285714,
"spacegroup": 14
},
{
"id": "jvasp-49927",
"created_at": "2022-09-04T14:37:50.259359Z",
"updated_at": "2022-09-04T14:37:50.259382Z",
"structure_string": "Bi4 Se2 O12\n1.0\n5.746835 -0.116874 -0.000109\n-0.107347 5.760967 0.000112\n2.873614 -0.058866 7.862414\nBi Se O\n4 2 12\ndirect\n0.124775 0.502829 0.655289 Bi\n0.621863 0.010281 0.656322 Bi\n0.280064 0.002820 0.344711 Bi\n0.778184 0.510269 0.343682 Bi\n0.002749 0.085609 0.050824 Se\n0.553574 0.585638 -0.050825 Se\n0.160045 0.283444 0.129237 O\n0.473016 0.608279 0.161734 O\n0.451096 0.264410 0.505665 O\n0.456771 0.764410 0.494332 O\n-0.043936 0.248091 0.496931 O\n0.789230 0.783523 0.870766 O\n0.676872 0.337802 0.855439 O\n0.032253 0.837756 0.144551 O\n0.134762 0.108255 0.838265 O\n0.348764 0.659228 0.858135 O\n-0.047009 0.748093 0.503073 O\n0.706916 0.159267 0.141864 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Bi",
"Se",
"O"
],
"chemical_system": "Bi-O-Se",
"density": 7.567539825083192,
"density_atomic": 0.0691757821233305,
"volume": 260.20667128719384,
"volume_molar": 8.705562228791843,
"formula_full": "Bi4 Se2 O12",
"formula_reduced": "Bi2SeO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.198664774074074,
"spacegroup": 9
},
{
"id": "jvasp-91767",
"created_at": "2022-09-04T14:35:46.544523Z",
"updated_at": "2022-09-04T14:35:46.544543Z",
"structure_string": "Bi4 Se4\n1.0\n-0.578688 0.000000 4.879719\n5.751474 0.000000 -1.036716\n0.000000 8.934591 0.000000\nBi Se\n4 4\ndirect\n0.257442 0.845314 0.606964 Bi\n0.757443 0.345315 0.893036 Bi\n0.742557 0.154684 0.393036 Bi\n0.242556 0.654685 0.106964 Bi\n0.153097 0.312173 0.638553 Se\n0.653096 0.812172 0.861446 Se\n0.846903 0.687826 0.361447 Se\n0.346903 0.187827 0.138553 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.793764222301682,
"density_atomic": 0.032600597354989054,
"volume": 245.39427645719857,
"volume_molar": 18.472485931545048,
"formula_full": "Bi4 Se4",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6492388333333333,
"spacegroup": 14
},
{
"id": "jvasp-105106",
"created_at": "2022-09-04T14:36:53.647556Z",
"updated_at": "2022-09-04T14:36:53.647585Z",
"structure_string": "Bi4 Se4\n1.0\n7.204379 0.000000 0.000000\n-0.000000 4.272612 4.002686\n-0.000000 0.142102 8.410741\nBi Se\n4 4\ndirect\n0.814108 0.633358 0.866648 Bi\n0.685893 0.633358 0.366648 Bi\n0.185893 0.366641 0.133353 Bi\n0.314108 0.366641 0.633353 Bi\n0.844140 0.215967 0.784052 Se\n0.655860 0.215967 0.284052 Se\n0.155860 0.784032 0.215949 Se\n0.344140 0.784032 0.715949 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.506135282509039,
"density_atomic": 0.03139747201191148,
"volume": 254.79758360688984,
"volume_molar": 19.18033642235699,
"formula_full": "Bi4 Se4",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6573738333333333,
"spacegroup": 58
}
]
}