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=-energy_above_hull&page=907",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=905",
"results": [
{
"id": "jvasp-93786",
"created_at": "2022-09-04T14:35:52.875608Z",
"updated_at": "2022-09-04T14:35:52.875635Z",
"structure_string": "Ti4 H2\n1.0\n4.224515 0.000000 0.000000\n0.000000 4.224515 -0.000000\n-0.000000 0.000000 4.224515\nTi H\n4 2\ndirect\n0.499999 0.000000 0.499999 Ti\n0.000000 0.499999 0.499999 Ti\n0.499999 0.499999 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 H\n0.749999 0.749999 0.749999 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 4.261508076113118,
"density_atomic": 0.07958306860426423,
"volume": 75.3929209469878,
"volume_molar": 7.567113037505218,
"formula_full": "Ti4 H2",
"formula_reduced": "Ti2H",
"formula_anonymous": "AB2",
"energy_above_hull": 2.959985555555555,
"spacegroup": 224
},
{
"id": "jvasp-114002",
"created_at": "2022-09-04T14:38:49.585725Z",
"updated_at": "2022-09-04T14:38:49.585752Z",
"structure_string": "Y1 B1 O1\n1.0\n4.174921 0.000000 0.000000\n-2.087461 3.615588 -0.000000\n0.000000 -0.000000 3.419094\nY B O\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Y\n0.000000 0.000000 0.000000 B\n0.333334 0.666668 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"B",
"O"
],
"chemical_system": "B-O-Y",
"density": 3.723104356412183,
"density_atomic": 0.05812768346597375,
"volume": 51.61052051482685,
"volume_molar": 10.360193974571834,
"formula_full": "Y1 B1 O1",
"formula_reduced": "YBO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.959830511111111,
"spacegroup": 187
},
{
"id": "jvasp-52117",
"created_at": "2022-09-04T14:38:17.223066Z",
"updated_at": "2022-09-04T14:38:17.223092Z",
"structure_string": "Fe1 P2 O7\n1.0\n5.021975 -0.015420 -0.726031\n1.029412 4.915361 0.726031\n0.007619 -0.009410 4.487898\nFe P O\n1 2 7\ndirect\n0.112243 0.112243 -0.000000 Fe\n0.263469 0.667525 0.592671 P\n0.667524 0.263469 0.407330 P\n0.550367 0.550369 0.500001 O\n0.145356 0.431351 0.728229 O\n0.073023 0.811467 0.294273 O\n0.337690 0.854245 0.818831 O\n0.811466 0.073021 0.705728 O\n0.854244 0.337690 0.181169 O\n0.431349 0.145356 0.271771 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.4399874206071135,
"density_atomic": 0.09015292033151519,
"volume": 110.92264081105148,
"volume_molar": 6.679917564350726,
"formula_full": "Fe1 P2 O7",
"formula_reduced": "FeP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9598281,
"spacegroup": 5
},
{
"id": "jvasp-34177",
"created_at": "2022-09-04T14:37:28.720794Z",
"updated_at": "2022-09-04T14:37:28.720822Z",
"structure_string": "Fe1 P2 O7\n1.0\n5.022067 -0.015490 -0.726055\n1.029362 4.915466 0.726055\n0.007584 -0.009366 4.487798\nFe P O\n1 2 7\ndirect\n0.112245 0.112245 -0.000000 Fe\n0.263475 0.667519 0.592677 P\n0.667519 0.263476 0.407323 P\n0.550362 0.550364 0.500001 O\n0.145355 0.431347 0.728229 O\n0.073023 0.811468 0.294276 O\n0.337693 0.854246 0.818834 O\n0.811468 0.073021 0.705724 O\n0.854246 0.337694 0.181167 O\n0.431345 0.145356 0.271770 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.439927546511031,
"density_atomic": 0.09015135119071493,
"volume": 110.924571489173,
"volume_molar": 6.680033832504827,
"formula_full": "Fe1 P2 O7",
"formula_reduced": "FeP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9598281,
"spacegroup": 5
},
{
"id": "jvasp-109353",
"created_at": "2022-09-04T14:38:28.293681Z",
"updated_at": "2022-09-04T14:38:28.293707Z",
"structure_string": "V1 Fe2 S4\n1.0\n5.534974 -0.037604 2.497771\n4.600205 3.078226 2.497771\n-0.002875 -0.000863 5.673589\nV Fe S\n1 2 4\ndirect\n0.261808 0.261812 0.683807 V\n0.011976 0.011979 0.997762 Fe\n0.732733 0.732739 0.317325 Fe\n0.633518 0.633522 0.028333 S\n0.360300 0.360305 0.990333 S\n0.105497 0.105499 0.553438 S\n0.894150 0.894157 0.429005 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Fe",
"S"
],
"chemical_system": "Fe-S-V",
"density": 4.945503811992725,
"density_atomic": 0.07166852268512583,
"volume": 97.67188910470996,
"volume_molar": 8.40276949262391,
"formula_full": "V1 Fe2 S4",
"formula_reduced": "V(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.959746457142857,
"spacegroup": 8
},
{
"id": "jvasp-20998",
"created_at": "2022-09-04T14:38:16.709117Z",
"updated_at": "2022-09-04T14:38:16.709144Z",
"structure_string": "V4 Ga1 S8\n1.0\n5.917144 0.000000 3.416265\n1.972381 5.578737 3.416265\n-0.000000 -0.000000 6.832529\nV Ga S\n4 1 8\ndirect\n0.604094 0.187718 0.604094 V\n0.187718 0.604095 0.604094 V\n0.604094 0.604095 0.187717 V\n0.604094 0.604095 0.604094 V\n0.000000 0.000000 0.000000 Ga\n0.863274 0.410175 0.863275 S\n0.410174 0.863276 0.863274 S\n0.863274 0.863276 0.410174 S\n0.863274 0.863276 0.863274 S\n0.370561 0.888316 0.370560 S\n0.370561 0.370561 0.370561 S\n0.370561 0.370561 0.888315 S\n0.888315 0.370561 0.370560 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"V",
"Ga",
"S"
],
"chemical_system": "Ga-S-V",
"density": 3.9021398655091657,
"density_atomic": 0.05763865558217284,
"volume": 225.54308161241693,
"volume_molar": 10.44809373010879,
"formula_full": "V4 Ga1 S8",
"formula_reduced": "V4GaS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.9595145480769234,
"spacegroup": 216
},
{
"id": "jvasp-26336",
"created_at": "2022-09-04T14:38:05.782099Z",
"updated_at": "2022-09-04T14:38:05.782131Z",
"structure_string": "Na1 C1 N1 O1\n1.0\n3.386484 0.015859 4.318221\n1.502497 3.034968 4.318221\n0.025415 0.015859 5.487683\nNa C N O\n1 1 1 1\ndirect\n0.496079 0.496081 0.496080 Na\n0.998871 0.998875 0.998873 C\n0.076769 0.076770 0.076770 N\n0.918276 0.918279 0.918277 O\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Na",
"C",
"N",
"O"
],
"chemical_system": "C-N-Na-O",
"density": 1.9341486710422129,
"density_atomic": 0.07167100605871778,
"volume": 55.81057417727508,
"volume_molar": 8.402478339799293,
"formula_full": "Na1 C1 N1 O1",
"formula_reduced": "NaCNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.9593064375000004,
"spacegroup": 160
},
{
"id": "jvasp-44364",
"created_at": "2022-09-04T14:38:08.664517Z",
"updated_at": "2022-09-04T14:38:08.664540Z",
"structure_string": "Li3 Mn4 Ni1 O8\n1.0\n0.061187 3.149165 -5.002554\n1.781251 -2.597717 -5.002554\n-5.138691 1.592822 -2.428324\nLi Mn Ni O\n3 4 1 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.500000 -0.000001 0.499999 Li\n0.500000 0.499999 0.499999 Li\n-0.000001 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.499999 -0.000000 Ni\n0.456974 0.250131 0.793157 O\n0.994553 0.264349 0.763408 O\n0.500941 0.757960 0.763408 O\n0.025641 0.750505 0.724862 O\n0.974358 0.249494 0.275136 O\n0.499059 0.242039 0.236591 O\n0.005446 0.735650 0.236591 O\n0.543025 0.749867 0.206842 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.792723741551113,
"density_atomic": 0.10808295336576915,
"volume": 148.03444485693842,
"volume_molar": 5.571776651605884,
"formula_full": "Li3 Mn4 Ni1 O8",
"formula_reduced": "Li3Mn4NiO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.959268710344827,
"spacegroup": 12
},
{
"id": "jvasp-79459",
"created_at": "2022-09-04T14:37:06.477174Z",
"updated_at": "2022-09-04T14:37:06.477205Z",
"structure_string": "Al1 Co2 Si1\n1.0\n-8.486743 0.000001 -4.899823\n-5.505835 0.199897 -0.263261\n-4.758425 2.313891 -1.557813\nAl Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.267456 0.000000 -0.000000 Co\n0.732544 0.000001 -0.000000 Co\n0.500000 0.000000 -0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Co",
"Si"
],
"chemical_system": "Al-Co-Si",
"density": 5.198870178464387,
"density_atomic": 0.07241706423554561,
"volume": 55.23560009267286,
"volume_molar": 8.315913968028626,
"formula_full": "Al1 Co2 Si1",
"formula_reduced": "AlCo2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9591133,
"spacegroup": 71
},
{
"id": "jvasp-36571",
"created_at": "2022-09-04T14:37:28.518313Z",
"updated_at": "2022-09-04T14:37:28.518347Z",
"structure_string": "Al1 Co2 Si1\n1.0\n-8.486149 0.000001 -4.899480\n-5.505853 0.200740 -0.262544\n-4.758630 2.314205 -1.556772\nAl Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.267426 0.000000 -0.000000 Co\n0.732574 0.000000 -0.000000 Co\n0.500000 0.000000 -0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Co",
"Si"
],
"chemical_system": "Al-Co-Si",
"density": 5.198145254512138,
"density_atomic": 0.07240696649072532,
"volume": 55.243303149737166,
"volume_molar": 8.317073690376715,
"formula_full": "Al1 Co2 Si1",
"formula_reduced": "AlCo2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9590683,
"spacegroup": 71
},
{
"id": "jvasp-111396",
"created_at": "2022-09-04T14:38:26.378213Z",
"updated_at": "2022-09-04T14:38:26.378240Z",
"structure_string": "Fe1 P2 O7\n1.0\n5.011367 0.014015 0.723643\n-1.024444 4.905559 0.723643\n-0.002012 -0.002482 4.478708\nFe P O\n1 2 7\ndirect\n0.887798 0.112202 -0.000001 Fe\n0.736294 0.667593 0.592897 P\n0.332407 0.263707 0.407102 P\n0.448151 0.551850 0.499999 O\n0.146357 0.339468 0.179824 O\n0.569298 0.144686 0.272690 O\n0.660534 0.853644 0.820175 O\n0.855315 0.430702 0.727309 O\n0.928458 0.811338 0.293721 O\n0.188661 0.071543 0.706278 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.4630217591025914,
"density_atomic": 0.09075658907484607,
"volume": 110.1848372877158,
"volume_molar": 6.635485997643212,
"formula_full": "Fe1 P2 O7",
"formula_reduced": "FeP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.9590511,
"spacegroup": 5
},
{
"id": "jvasp-15060",
"created_at": "2022-09-04T14:37:07.249853Z",
"updated_at": "2022-09-04T14:37:07.249873Z",
"structure_string": "Zr1 C1\n1.0\n2.889765 -0.000000 1.668406\n0.963255 2.724497 1.668406\n0.000000 0.000000 3.336814\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500001 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"C"
],
"chemical_system": "C-Zr",
"density": 6.525201657014605,
"density_atomic": 0.07612882660482753,
"volume": 26.27125740925547,
"volume_molar": 7.91046050303647,
"formula_full": "Zr1 C1",
"formula_reduced": "ZrC",
"formula_anonymous": "AB",
"energy_above_hull": 2.9590222500000003,
"spacegroup": 225
}
]
}