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=created_at&page=1564",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1562",
"results": [
{
"id": "jvasp-101728",
"created_at": "2022-09-04T14:36:43.944813Z",
"updated_at": "2022-09-04T14:36:43.944826Z",
"structure_string": "Er3 Mg1\n1.0\n3.484397 -0.000000 0.000000\n0.000000 3.484397 0.000000\n0.000000 0.000000 9.220717\nEr Mg\n3 1\ndirect\n0.500000 0.500000 0.759424 Er\n0.000000 0.000000 0.500000 Er\n0.500000 0.500000 0.240576 Er\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"Mg"
],
"chemical_system": "Er-Mg",
"density": 7.803376919921709,
"density_atomic": 0.03573057753836366,
"volume": 111.94893213537424,
"volume_molar": 16.854305681272777,
"formula_full": "Er3 Mg1",
"formula_reduced": "Er3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9851895833333334,
"spacegroup": 123
},
{
"id": "jvasp-100649",
"created_at": "2022-09-04T14:36:43.957218Z",
"updated_at": "2022-09-04T14:36:43.957235Z",
"structure_string": "Mn2 Cr2 Si4\n1.0\n4.562257 0.000000 0.000000\n0.000000 4.593507 0.051033\n0.000000 -0.010846 4.587364\nMn Cr Si\n2 2 4\ndirect\n0.363146 0.862244 0.385240 Mn\n0.863147 0.137756 0.614758 Mn\n0.636435 0.632704 0.891238 Cr\n0.136435 0.367296 0.108761 Cr\n0.345651 0.342870 0.591450 Si\n0.845652 0.657130 0.408548 Si\n0.654770 0.149114 0.097292 Si\n0.154769 0.850886 0.902706 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"Si"
],
"chemical_system": "Cr-Mn-Si",
"density": 5.634404412053481,
"density_atomic": 0.08321301324952561,
"volume": 96.1388091548963,
"volume_molar": 7.237018015369526,
"formula_full": "Mn2 Cr2 Si4",
"formula_reduced": "MnCrSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.754882960344827,
"spacegroup": 4
},
{
"id": "jvasp-79952",
"created_at": "2022-09-04T14:36:43.959629Z",
"updated_at": "2022-09-04T14:36:43.959649Z",
"structure_string": "Y1 Ta1 Ru2\n1.0\n0.000000 3.268480 3.268480\n3.268480 0.000000 3.268480\n3.268480 3.268480 0.000000\nY Ta Ru\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Y\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta-Y",
"density": 11.223229293412114,
"density_atomic": 0.05727861394263862,
"volume": 69.83409207502437,
"volume_molar": 10.513768308064932,
"formula_full": "Y1 Ta1 Ru2",
"formula_reduced": "YTaRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5531814125,
"spacegroup": 225
},
{
"id": "jvasp-56890",
"created_at": "2022-09-04T14:36:43.960037Z",
"updated_at": "2022-09-04T14:36:43.960054Z",
"structure_string": "Sr4 Br8\n1.0\n4.688560 -0.000000 0.000000\n-0.000000 7.770300 0.000000\n0.000000 0.000000 11.306242\nSr Br\n4 8\ndirect\n0.250000 0.138793 0.831977 Sr\n0.750000 0.861207 0.168023 Sr\n0.250000 0.361207 0.331977 Sr\n0.750000 0.638793 0.668023 Sr\n0.750000 0.617605 0.390138 Br\n0.250000 0.382395 0.609862 Br\n0.250000 0.615371 0.121687 Br\n0.250000 0.117605 0.109862 Br\n0.250000 0.884629 0.621687 Br\n0.750000 0.384629 0.878313 Br\n0.750000 0.882395 0.890138 Br\n0.750000 0.115371 0.378313 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Br"
],
"chemical_system": "Br-Sr",
"density": 3.9899034992471414,
"density_atomic": 0.029133033245533634,
"volume": 411.90355631230784,
"volume_molar": 20.671176630477536,
"formula_full": "Sr4 Br8",
"formula_reduced": "SrBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-103164",
"created_at": "2022-09-04T14:36:43.966797Z",
"updated_at": "2022-09-04T14:36:43.966807Z",
"structure_string": "K2 Li1 Nd1 Br6\n1.0\n6.738607 -0.000000 3.890536\n2.246203 6.353219 3.890536\n-0.000000 -0.000000 7.781072\nK Li Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.741058 0.258942 0.258943 Br\n0.258942 0.258942 0.741058 Br\n0.258942 0.741058 0.741058 Br\n0.258942 0.741058 0.258943 Br\n0.741058 0.258942 0.741058 Br\n0.741058 0.741058 0.258943 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"Br"
],
"chemical_system": "Br-K-Li-Nd",
"density": 3.533227673767794,
"density_atomic": 0.030019026985627754,
"volume": 333.12205638069855,
"volume_molar": 20.06107913785223,
"formula_full": "K2 Li1 Nd1 Br6",
"formula_reduced": "K2LiNdBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103466",
"created_at": "2022-09-04T14:36:43.968010Z",
"updated_at": "2022-09-04T14:36:43.968021Z",
"structure_string": "La1 Al2 Pt3\n1.0\n5.677157 0.000000 -0.000000\n-2.838578 4.916564 0.000000\n-0.000000 0.000000 3.974083\nLa Al Pt\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.000000 Al\n0.333333 0.666667 0.000000 Al\n0.500000 0.500000 0.500000 Pt\n0.500000 -0.000000 0.500000 Pt\n-0.000000 0.500000 0.500000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Pt"
],
"chemical_system": "Al-La-Pt",
"density": 11.64840457474558,
"density_atomic": 0.05409058963052217,
"volume": 110.92502487002523,
"volume_molar": 11.133435226229878,
"formula_full": "La1 Al2 Pt3",
"formula_reduced": "LaAl2Pt3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.240359133333333,
"spacegroup": 191
},
{
"id": "jvasp-8637",
"created_at": "2022-09-04T14:36:43.971627Z",
"updated_at": "2022-09-04T14:36:43.971652Z",
"structure_string": "Ce1 V1 O3\n1.0\n3.852766 -0.000000 0.000000\n-0.000000 3.852766 0.000000\n0.000000 -0.000000 3.852766\nCe V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500001 0.500001 0.500001 V\n0.000000 0.500001 0.500001 O\n0.500001 0.000000 0.500001 O\n0.500001 0.500001 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"V",
"O"
],
"chemical_system": "Ce-O-V",
"density": 6.941131989052564,
"density_atomic": 0.08742831458580295,
"volume": 57.189710492393786,
"volume_molar": 6.888089732176886,
"formula_full": "Ce1 V1 O3",
"formula_reduced": "CeVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.33060604,
"spacegroup": 221
},
{
"id": "jvasp-104718",
"created_at": "2022-09-04T14:36:43.977481Z",
"updated_at": "2022-09-04T14:36:43.977502Z",
"structure_string": "Mn6 Pt1 Rh1\n1.0\n3.613987 0.000000 0.000000\n0.000000 3.613987 0.000000\n0.000000 -0.000000 7.225126\nMn Pt Rh\n6 1 1\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 -0.000000 0.252415 Mn\n0.500000 -0.000000 0.747586 Mn\n-0.000000 0.500000 0.252415 Mn\n-0.000000 0.500000 0.747586 Mn\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Pt",
"Rh"
],
"chemical_system": "Mn-Pt-Rh",
"density": 11.043983056258742,
"density_atomic": 0.08477570103068184,
"volume": 94.36666288497759,
"volume_molar": 7.103616586810034,
"formula_full": "Mn6 Pt1 Rh1",
"formula_reduced": "Mn6PtRh",
"formula_anonymous": "ABC6",
"energy_above_hull": 4.507408481034481,
"spacegroup": 123
},
{
"id": "jvasp-102248",
"created_at": "2022-09-04T14:36:43.986542Z",
"updated_at": "2022-09-04T14:36:43.986557Z",
"structure_string": "V2 Cl4 O2\n1.0\n6.681133 0.000343 -1.722181\n-0.257819 3.602950 -0.999449\n-0.147566 -0.201444 6.339482\nV Cl O\n2 4 2\ndirect\n0.000002 0.926370 0.000012 V\n0.499998 0.073628 -0.000013 V\n0.179730 0.859392 0.718973 Cl\n0.320270 0.140608 0.281027 Cl\n0.679742 0.859562 0.718972 Cl\n0.820257 0.140437 0.281027 Cl\n0.499997 0.515066 -0.000016 O\n0.000003 0.484937 0.000016 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Cl",
"O"
],
"chemical_system": "Cl-O-V",
"density": 3.04686178983457,
"density_atomic": 0.053243505892378314,
"volume": 150.25306590761488,
"volume_molar": 11.310563906465175,
"formula_full": "V2 Cl4 O2",
"formula_reduced": "VCl2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.31224895875,
"spacegroup": 15
},
{
"id": "jvasp-55316",
"created_at": "2022-09-04T14:36:43.987342Z",
"updated_at": "2022-09-04T14:36:43.987355Z",
"structure_string": "Na8 Mn4 O10\n1.0\n5.451119 0.027726 -0.805337\n-2.662488 4.756745 -0.805337\n-0.013393 -0.022978 10.234015\nNa Mn O\n8 4 10\ndirect\n0.537552 0.787451 0.071191 Na\n0.716259 0.966362 0.428808 Na\n0.787451 0.537553 0.571191 Na\n0.283742 0.033640 0.571191 Na\n0.462449 0.212550 0.928808 Na\n0.033640 0.283742 0.071191 Na\n0.212551 0.462449 0.428808 Na\n0.966361 0.716260 0.928808 Na\n0.652394 0.347608 0.250000 Mn\n0.902394 0.097608 0.750000 Mn\n0.347607 0.652394 0.750000 Mn\n0.097607 0.902394 0.250000 Mn\n0.940570 0.690571 0.381140 O\n0.875001 0.125001 0.250000 O\n0.309431 0.059431 0.118860 O\n0.059431 0.309431 0.618860 O\n0.191564 0.441564 0.883126 O\n0.558438 0.808438 0.616873 O\n0.808437 0.558438 0.116873 O\n0.441564 0.191564 0.383126 O\n0.690570 0.940571 0.881139 O\n0.125000 0.875001 0.749999 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.519830941208955,
"density_atomic": 0.08273224935118857,
"volume": 265.9180691028067,
"volume_molar": 7.27907292165686,
"formula_full": "Na8 Mn4 O10",
"formula_reduced": "Na4Mn2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.7867570893416929,
"spacegroup": 70
},
{
"id": "jvasp-102651",
"created_at": "2022-09-04T14:36:43.989834Z",
"updated_at": "2022-09-04T14:36:43.989860Z",
"structure_string": "Y1 Bi1 Te3\n1.0\n4.290665 -0.006519 9.859799\n2.047128 3.770825 9.859799\n-0.010976 -0.006519 10.752922\nY Bi Te\n1 1 3\ndirect\n0.601239 0.601237 0.601238 Y\n0.399633 0.399632 0.399633 Bi\n0.995606 0.995603 0.995605 Te\n0.787614 0.787612 0.787613 Te\n0.215911 0.215910 0.215911 Te\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Bi",
"Te"
],
"chemical_system": "Bi-Te-Y",
"density": 6.47102989710648,
"density_atomic": 0.028625121277248186,
"volume": 174.67174904073156,
"volume_molar": 21.037957190373604,
"formula_full": "Y1 Bi1 Te3",
"formula_reduced": "YBiTe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.22385661,
"spacegroup": 160
},
{
"id": "jvasp-103010",
"created_at": "2022-09-04T14:36:43.991618Z",
"updated_at": "2022-09-04T14:36:43.991646Z",
"structure_string": "Lu6 Mn1 Sb2\n1.0\n7.946048 -0.000000 -0.000000\n-3.973023 6.881480 -0.000000\n0.000000 -0.000000 4.119589\nLu Mn Sb\n6 1 2\ndirect\n0.234163 0.000000 0.500000 Lu\n0.000000 0.234163 0.500000 Lu\n0.765838 0.765837 0.500000 Lu\n0.610691 0.000000 0.000000 Lu\n0.000000 0.610691 0.000000 Lu\n0.389310 0.389309 0.000000 Lu\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.500000 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Lu",
"Mn",
"Sb"
],
"chemical_system": "Lu-Mn-Sb",
"density": 9.938843132280528,
"density_atomic": 0.03995356928295902,
"volume": 225.2614762966541,
"volume_molar": 15.072847978487275,
"formula_full": "Lu6 Mn1 Sb2",
"formula_reduced": "Lu6MnSb2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.9761193268199235,
"spacegroup": 189
}
]
}