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=id&page=4637",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4635",
"results": [
{
"id": "jvasp-9990",
"created_at": "2022-09-04T14:37:19.075687Z",
"updated_at": "2022-09-04T14:37:19.075717Z",
"structure_string": "Ca5 B3 O9 F1\n1.0\n3.525148 -0.006944 0.298694\n1.208405 7.182976 3.687086\n-0.012725 0.000763 9.040983\nCa B O F\n5 3 9 1\ndirect\n0.642307 0.204606 -0.000000 Ca\n0.347434 0.698611 0.235476 Ca\n0.347434 0.934087 0.764523 Ca\n0.006099 0.261624 0.356638 Ca\n0.006099 0.618262 0.643362 Ca\n0.591630 0.319928 0.608045 B\n0.591631 0.927974 0.391954 B\n0.965346 0.558531 -0.000001 B\n0.793851 0.141587 0.653693 O\n0.918697 0.571261 0.148460 O\n0.581594 0.406465 0.709741 O\n0.403428 0.408596 0.456442 O\n0.403429 0.865038 0.543558 O\n0.581595 0.116206 0.290259 O\n0.056680 0.386709 0.000000 O\n0.918696 0.719720 0.851539 O\n0.793852 0.795282 0.346306 O\n0.247802 -0.000881 -0.000000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"B",
"O",
"F"
],
"chemical_system": "B-Ca-F-O",
"density": 2.8699016787413947,
"density_atomic": 0.07859539062943194,
"volume": 229.02106415970235,
"volume_molar": 7.662206029859549,
"formula_full": "Ca5 B3 O9 F1",
"formula_reduced": "Ca5B3O9F",
"formula_anonymous": "AB3C5D9",
"energy_above_hull": 2.110897868472222,
"spacegroup": 8
},
{
"id": "jvasp-99900",
"created_at": "2022-09-04T14:36:20.632611Z",
"updated_at": "2022-09-04T14:36:20.632635Z",
"structure_string": "Zn2 Fe1 S3\n1.0\n3.813921 0.000000 -0.000000\n-1.906961 3.302953 -0.000000\n-0.000000 0.000000 9.399401\nZn Fe S\n2 1 3\ndirect\n0.666667 0.333333 0.333178 Zn\n0.333333 0.666666 0.668792 Zn\n0.000000 0.000000 -0.001100 Fe\n0.000000 0.000000 0.246397 S\n0.666667 0.333333 0.583373 S\n0.333333 0.666666 0.919361 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 3.96682735002078,
"density_atomic": 0.05067304304074492,
"volume": 118.40615127801878,
"volume_molar": 11.884308497434716,
"formula_full": "Zn2 Fe1 S3",
"formula_reduced": "Zn2FeS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.99655105,
"spacegroup": 156
},
{
"id": "jvasp-99903",
"created_at": "2022-09-04T14:36:21.189439Z",
"updated_at": "2022-09-04T14:36:21.189463Z",
"structure_string": "Zr3 Al1 N4\n1.0\n3.205349 0.000000 0.000000\n0.000000 3.205349 -0.000000\n0.000000 -0.000000 8.950817\nZr Al N\n3 1 4\ndirect\n0.500000 0.500000 0.751516 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.248484 Zr\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.225665 N\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.774336 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Al",
"N"
],
"chemical_system": "Al-N-Zr",
"density": 6.440431187834954,
"density_atomic": 0.08699146879555962,
"volume": 91.963040867846,
"volume_molar": 6.922679710297515,
"formula_full": "Zr3 Al1 N4",
"formula_reduced": "Zr3AlN4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.921912412499999,
"spacegroup": 123
},
{
"id": "jvasp-99904",
"created_at": "2022-09-04T14:36:20.851912Z",
"updated_at": "2022-09-04T14:36:20.851943Z",
"structure_string": "Y2 Al2 Fe2\n1.0\n4.688375 -0.027062 -2.478596\n-1.617251 4.309438 -2.634061\n0.013916 0.027062 5.303217\nY Al Fe\n2 2 2\ndirect\n0.136303 0.886303 0.250001 Y\n0.863697 0.113697 0.750000 Y\n0.500000 0.500000 -0.000000 Al\n0.000001 0.500000 0.500001 Al\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Y",
"density": 5.305072818455976,
"density_atomic": 0.05580990666864629,
"volume": 107.50779490858328,
"volume_molar": 10.790451228944995,
"formula_full": "Y2 Al2 Fe2",
"formula_reduced": "YAlFe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.264907916666667,
"spacegroup": 74
},
{
"id": "jvasp-99905",
"created_at": "2022-09-04T14:36:21.896101Z",
"updated_at": "2022-09-04T14:36:21.896122Z",
"structure_string": "Y2 Mn3 Fe1\n1.0\n4.523469 0.194590 2.587255\n1.591198 4.238836 2.587255\n0.268382 0.194590 5.204194\nY Mn Fe\n2 3 1\ndirect\n0.623225 0.623226 0.623223 Y\n0.376775 0.376775 0.376774 Y\n0.000000 0.500001 -0.000001 Mn\n0.500000 0.000000 -0.000001 Mn\n-0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn-Y",
"density": 7.047310631824831,
"density_atomic": 0.06390414488271391,
"volume": 93.8906233861992,
"volume_molar": 9.423709167930658,
"formula_full": "Y2 Mn3 Fe1",
"formula_reduced": "Y2Mn3Fe",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.068634687356321,
"spacegroup": 166
},
{
"id": "jvasp-99906",
"created_at": "2022-09-04T14:38:39.835528Z",
"updated_at": "2022-09-04T14:38:39.835553Z",
"structure_string": "U2 Cr2 Co2\n1.0\n4.404317 0.002897 -2.551479\n-1.132132 3.855703 -3.124084\n-0.001295 -0.002897 5.089996\nU Cr Co\n2 2 2\ndirect\n0.392148 0.142147 0.250000 U\n0.607854 0.857852 0.750001 U\n0.000000 0.500000 0.000000 Cr\n0.000000 -0.000000 0.500000 Cr\n0.500001 0.500000 0.000001 Co\n0.000001 0.499999 0.500001 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Cr",
"Co"
],
"chemical_system": "Co-Cr-U",
"density": 13.414527438355561,
"density_atomic": 0.06945029920466551,
"volume": 86.39271635559683,
"volume_molar": 8.671151642202638,
"formula_full": "U2 Cr2 Co2",
"formula_reduced": "UCrCo",
"formula_anonymous": "ABC",
"energy_above_hull": 4.127261433333333,
"spacegroup": 74
},
{
"id": "jvasp-99907",
"created_at": "2022-09-04T14:36:30.931520Z",
"updated_at": "2022-09-04T14:36:30.931538Z",
"structure_string": "U2 Al2 Au2\n1.0\n4.894985 0.008196 -2.873921\n-1.200100 4.234277 -3.584832\n0.003631 -0.008196 5.676292\nU Al Au\n2 2 2\ndirect\n0.242620 0.500000 0.742620 U\n0.757379 0.500001 0.257380 U\n0.335726 0.835727 0.500000 Al\n0.664273 0.164273 0.500000 Al\n0.174188 0.174189 0.000000 Au\n0.825811 0.825813 0.000001 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Al",
"Au"
],
"chemical_system": "Al-Au-U",
"density": 13.04880144221364,
"density_atomic": 0.05102962879172739,
"volume": 117.57875066049242,
"volume_molar": 11.801263114373805,
"formula_full": "U2 Al2 Au2",
"formula_reduced": "UAlAu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2798154566666664,
"spacegroup": 71
},
{
"id": "jvasp-99908",
"created_at": "2022-09-04T14:36:31.167036Z",
"updated_at": "2022-09-04T14:36:31.167064Z",
"structure_string": "V1 Cr1 N2\n1.0\n2.975271 -0.000000 0.000000\n-1.487635 2.414115 0.900680\n0.000000 -0.008554 4.937119\nV Cr N\n1 1 2\ndirect\n0.500000 0.000001 0.500000 V\n0.000000 0.000000 0.000000 Cr\n0.251567 0.503135 0.245296 N\n0.748431 0.496864 0.754704 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"N"
],
"chemical_system": "Cr-N-V",
"density": 6.12800620077107,
"density_atomic": 0.11272526649494648,
"volume": 35.484502493319205,
"volume_molar": 5.34231672033348,
"formula_full": "V1 Cr1 N2",
"formula_reduced": "VCrN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.645759525,
"spacegroup": 166
},
{
"id": "jvasp-99909",
"created_at": "2022-09-04T14:36:31.628941Z",
"updated_at": "2022-09-04T14:36:31.628951Z",
"structure_string": "Tl1 Bi1 Se2\n1.0\n4.347477 0.000000 0.000000\n-0.000000 4.347477 -0.000000\n0.000000 0.000000 6.094413\nTl Bi Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Se"
],
"chemical_system": "Bi-Se-Tl",
"density": 8.235585161392823,
"density_atomic": 0.03472590105407465,
"volume": 115.18779581187138,
"volume_molar": 17.3419280053307,
"formula_full": "Tl1 Bi1 Se2",
"formula_reduced": "TlBiSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6803434083333333,
"spacegroup": 123
},
{
"id": "jvasp-9991",
"created_at": "2022-09-04T14:37:16.461394Z",
"updated_at": "2022-09-04T14:37:16.461417Z",
"structure_string": "Na4 C4 S4 N4\n1.0\n3.981965 0.000000 0.000000\n-0.000000 5.593534 0.000000\n0.000000 0.000000 13.286804\nNa C S N\n4 4 4 4\ndirect\n0.250000 0.548856 0.895894 Na\n0.750001 0.048856 0.604106 Na\n0.750001 0.451144 0.104106 Na\n0.250000 0.951143 0.395894 Na\n0.250000 0.889766 0.114508 C\n0.750001 0.389767 0.385492 C\n0.250000 0.610232 0.614508 C\n0.750001 0.110233 0.885492 C\n0.250000 0.125746 0.186147 S\n0.750001 0.874253 0.813853 S\n0.750001 0.625746 0.313853 S\n0.250000 0.374254 0.686147 S\n0.750001 0.284982 0.936212 N\n0.250000 0.784982 0.563788 N\n0.250000 0.715017 0.063788 N\n0.750001 0.215018 0.436212 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"C",
"S",
"N"
],
"chemical_system": "C-N-Na-S",
"density": 1.819602954424082,
"density_atomic": 0.0540649410023558,
"volume": 295.94039507604055,
"volume_molar": 11.138716973237045,
"formula_full": "Na4 C4 S4 N4",
"formula_reduced": "NaCSN",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.9774555624999994,
"spacegroup": 62
},
{
"id": "jvasp-99910",
"created_at": "2022-09-04T14:36:31.823002Z",
"updated_at": "2022-09-04T14:36:31.823019Z",
"structure_string": "V1 Cr2 Te4\n1.0\n6.547414 0.025010 3.275258\n5.322431 3.813264 3.275258\n0.000754 0.000244 6.928943\nV Cr Te\n1 2 4\ndirect\n0.740945 0.740943 0.283992 V\n0.259976 0.259975 0.716372 Cr\n0.998924 0.998922 0.000286 Cr\n0.883608 0.883607 0.451833 Te\n0.117329 0.117328 0.548820 Te\n0.633316 0.633315 0.025598 Te\n0.365902 0.365901 0.973104 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Cr",
"Te"
],
"chemical_system": "Cr-Te-V",
"density": 6.4210006517849605,
"density_atomic": 0.04068292171420833,
"volume": 172.06237175328735,
"volume_molar": 14.802626031396349,
"formula_full": "V1 Cr2 Te4",
"formula_reduced": "V(CrTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.8405285809523817,
"spacegroup": 8
},
{
"id": "jvasp-99911",
"created_at": "2022-09-04T14:36:32.505825Z",
"updated_at": "2022-09-04T14:36:32.505846Z",
"structure_string": "Tm1 Al1 Co4\n1.0\n4.989142 0.000000 -0.000000\n-2.494572 4.320723 0.000000\n-0.000000 0.000000 3.867634\nTm Al Co\n1 1 4\ndirect\n0.333333 0.666667 0.000000 Tm\n0.666667 0.333333 0.000000 Al\n0.000000 0.000000 0.000000 Co\n0.836341 0.672683 0.500000 Co\n0.327316 0.163658 0.500000 Co\n0.836342 0.163658 0.500000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Co"
],
"chemical_system": "Al-Co-Tm",
"density": 8.597094552436237,
"density_atomic": 0.07196537475655629,
"volume": 83.37342812841227,
"volume_molar": 8.368108663884035,
"formula_full": "Tm1 Al1 Co4",
"formula_reduced": "TmAlCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.9428517750000003,
"spacegroup": 187
}
]
}