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=volume_molar&page=168",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=166",
"results": [
{
"id": "jvasp-87131",
"created_at": "2022-09-04T14:35:55.093717Z",
"updated_at": "2022-09-04T14:35:55.093743Z",
"structure_string": "Ni2 O2\n1.0\n2.820075 0.000009 4.251449\n1.281861 2.511904 4.251449\n0.000014 0.000009 5.101730\nNi O\n2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 6.864041140118442,
"density_atomic": 0.11068328391092329,
"volume": 36.13915180922132,
"volume_molar": 5.440876478553487,
"formula_full": "Ni2 O2",
"formula_reduced": "NiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.8300479499999998,
"spacegroup": 225
},
{
"id": "jvasp-92390",
"created_at": "2022-09-04T14:35:51.582522Z",
"updated_at": "2022-09-04T14:35:51.582550Z",
"structure_string": "Ni4 O4\n1.0\n4.165300 -0.000354 -0.000915\n0.000565 4.165300 -0.000915\n0.000534 0.000534 4.165989\nNi O\n4 4\ndirect\n0.500000 0.000000 0.500000 Ni\n-0.000001 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.499999 0.500000 -0.000001 Ni\n-0.000001 0.500000 -0.000001 O\n0.500000 0.000000 -0.000001 O\n0.499999 0.500000 0.499999 O\n-0.000000 -0.000000 0.500000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 6.863997360967519,
"density_atomic": 0.11068257796815693,
"volume": 72.27876461552583,
"volume_molar": 5.4409111809200486,
"formula_full": "Ni4 O4",
"formula_reduced": "NiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.8298229499999998,
"spacegroup": 225
},
{
"id": "jvasp-95258",
"created_at": "2022-09-04T14:36:06.744564Z",
"updated_at": "2022-09-04T14:36:06.744589Z",
"structure_string": "Cr2 P4 H30 N4 O22\n1.0\n6.274911 6.016025 -1.699370\n-6.274911 6.016025 1.699370\n0.015969 0.000000 7.416279\nCr P H N O\n2 4 30 4 22\ndirect\n0.780449 0.219551 0.218429 Cr\n0.219552 0.780449 0.781572 Cr\n0.755511 0.494068 0.853422 P\n0.505933 0.244490 0.853422 P\n0.244490 0.505932 0.146578 P\n0.494068 0.755511 0.146578 P\n0.026557 0.973443 0.816485 H\n0.967932 0.168414 0.999248 H\n0.831586 0.032069 0.999248 H\n0.032069 0.831586 0.000753 H\n0.168414 0.967932 0.000753 H\n0.144226 0.271693 0.766949 H\n0.979318 0.350334 0.737618 H\n0.271693 0.144226 0.233051 H\n0.973444 0.026557 0.183515 H\n0.649667 0.020683 0.737618 H\n0.020683 0.649667 0.262382 H\n0.350334 0.979318 0.262382 H\n0.728308 0.855775 0.766949 H\n0.399465 0.737599 0.541702 H\n0.855775 0.728308 0.233051 H\n0.600536 0.262402 0.458298 H\n0.262402 0.600536 0.541702 H\n0.316043 0.316043 0.000000 H\n0.041720 0.352124 0.340871 H\n0.647876 0.958281 0.340871 H\n0.958281 0.647876 0.659129 H\n0.352125 0.041720 0.659129 H\n0.683958 0.683958 -0.000000 H\n0.759148 0.004787 0.524368 H\n0.737599 0.399465 0.458298 H\n0.004787 0.759147 0.475632 H\n0.240853 0.995214 0.475632 H\n0.588197 0.411804 0.285802 H\n0.411804 0.588197 0.714198 H\n0.995214 0.240853 0.524368 H\n0.901639 0.098362 0.084378 N\n0.098362 0.901639 0.915622 N\n0.664045 0.335956 0.372462 N\n0.335956 0.664045 0.627538 N\n0.490492 0.850673 0.295050 O\n0.030917 0.253245 0.739275 O\n0.746756 0.969084 0.739275 O\n0.254498 0.980971 0.617493 O\n0.019029 0.745503 0.617493 O\n0.745503 0.019029 0.382507 O\n0.980971 0.254498 0.382507 O\n0.411997 0.588003 0.211246 O\n0.588003 0.411997 0.788754 O\n0.149328 0.509508 0.295050 O\n0.588595 0.178547 0.049606 O\n0.850673 0.490492 0.704950 O\n0.660234 0.716294 0.142581 O\n0.283707 0.339767 0.142581 O\n0.339767 0.283707 0.857419 O\n0.716294 0.660234 0.857419 O\n0.411406 0.821454 0.950394 O\n0.178547 0.588595 0.950394 O\n0.821454 0.411406 0.049606 O\n0.969084 0.746756 0.260725 O\n0.509509 0.149328 0.704950 O\n0.253245 0.030917 0.260725 O\n",
"nsites": 62,
"nelements": 5,
"elements": [
"Cr",
"P",
"H",
"N",
"O"
],
"chemical_system": "Cr-H-N-O-P",
"density": 1.9743654898532432,
"density_atomic": 0.11066371649374797,
"volume": 560.2558992630862,
"volume_molar": 5.441838527391429,
"formula_full": "Cr2 P4 H30 N4 O22",
"formula_reduced": "CrP2H15N2O11",
"formula_anonymous": "AB2C2D11E15",
"energy_above_hull": 3.5398165612903227,
"spacegroup": 12
},
{
"id": "jvasp-44828",
"created_at": "2022-09-04T14:38:07.222416Z",
"updated_at": "2022-09-04T14:38:07.222432Z",
"structure_string": "Li5 Cr1 O5\n1.0\n4.025333 -0.001021 0.001201\n-2.011448 4.652582 -0.013015\n-0.002133 -1.785092 5.313046\nLi Cr O\n5 1 5\ndirect\n0.315514 0.629174 0.125164 Li\n0.299682 0.594682 0.646831 Li\n0.716173 0.427695 0.324718 Li\n0.697543 0.393209 0.846391 Li\n0.988178 0.011191 0.485773 Li\n0.073617 0.011189 0.985780 Cr\n0.854450 0.728393 0.153093 O\n0.489601 0.011188 0.985790 O\n0.843159 0.703867 0.675646 O\n0.150489 0.318519 0.295910 O\n0.137246 0.293982 0.818460 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.7846939503320423,
"density_atomic": 0.11065993459455645,
"volume": 99.40363728121261,
"volume_molar": 5.442024506940418,
"formula_full": "Li5 Cr1 O5",
"formula_reduced": "Li5CrO5",
"formula_anonymous": "AB5C5",
"energy_above_hull": 2.0421859,
"spacegroup": 5
},
{
"id": "jvasp-44788",
"created_at": "2022-09-04T14:38:13.454374Z",
"updated_at": "2022-09-04T14:38:13.454387Z",
"structure_string": "Li1 Co6 O7\n1.0\n5.102915 -0.001202 -0.029752\n-0.851506 5.027544 -0.007238\n-0.825672 -0.992779 4.938837\nLi Co O\n1 6 7\ndirect\n0.000003 -0.000002 -0.000002 Li\n0.278762 0.571964 0.137772 Co\n0.137642 0.278022 0.571504 Co\n0.427848 0.861999 0.721675 Co\n0.572154 0.137997 0.278337 Co\n0.721223 0.428030 0.862229 Co\n0.862363 0.721982 0.428495 Co\n0.073403 0.642531 0.778221 O\n0.500002 0.500000 0.499999 O\n0.222032 0.926342 0.356990 O\n0.926586 0.357466 0.221769 O\n0.356862 0.221728 0.926331 O\n0.643143 0.778273 0.073676 O\n0.777979 0.073663 0.643005 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 6.202090660183997,
"density_atomic": 0.11065783661875168,
"volume": 126.51611876557877,
"volume_molar": 5.442127682965663,
"formula_full": "Li1 Co6 O7",
"formula_reduced": "LiCo6O7",
"formula_anonymous": "AB6C7",
"energy_above_hull": 3.224502135714286,
"spacegroup": 148
},
{
"id": "jvasp-7895",
"created_at": "2022-09-04T14:37:04.157355Z",
"updated_at": "2022-09-04T14:37:04.157368Z",
"structure_string": "Li1 Mo1 O2\n1.0\n2.896157 0.136021 4.780165\n1.438149 2.517531 4.780165\n0.222176 0.136021 5.584653\nLi Mo O\n1 1 2\ndirect\n0.500004 0.500001 0.499996 Li\n0.000000 0.000000 0.000000 Mo\n0.246490 0.246484 0.246488 O\n0.753517 0.753513 0.753508 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O",
"density": 6.1958486170582185,
"density_atomic": 0.11065340403075999,
"volume": 36.14891051058908,
"volume_molar": 5.442345685385274,
"formula_full": "Li1 Mo1 O2",
"formula_reduced": "LiMoO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.355368225,
"spacegroup": 166
},
{
"id": "jvasp-8155",
"created_at": "2022-09-04T14:37:05.650173Z",
"updated_at": "2022-09-04T14:37:05.650194Z",
"structure_string": "Li1 Ga1 O2\n1.0\n2.806415 -0.007558 4.278422\n1.272375 2.501416 4.278422\n-0.012362 -0.007558 5.116708\nLi Ga O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ga\n0.242320 0.242320 0.242320 O\n0.757681 0.757680 0.757679 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"O"
],
"chemical_system": "Ga-Li-O",
"density": 4.991273601382148,
"density_atomic": 0.11064744221419982,
"volume": 36.15085825713434,
"volume_molar": 5.4426389254817815,
"formula_full": "Li1 Ga1 O2",
"formula_reduced": "LiGaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7304723312500001,
"spacegroup": 166
},
{
"id": "jvasp-119543",
"created_at": "2022-09-04T14:38:35.264377Z",
"updated_at": "2022-09-04T14:38:35.264402Z",
"structure_string": "Li6 Mn4 V2 O12\n1.0\n2.838560 0.000004 -0.000001\n-0.000014 13.206079 3.046011\n0.000003 0.012037 5.789197\nLi Mn V O\n6 4 2 12\ndirect\n1.000001 0.666667 0.166667 Li\n0.500000 0.166666 0.166669 Li\n-0.000000 0.002093 0.489331 Li\n0.500000 0.502093 0.489331 Li\n-0.000000 0.331240 0.844006 Li\n0.500000 0.831241 0.844005 Li\n0.500001 0.507512 -0.004865 Mn\n0.500001 0.825822 0.338200 Mn\n0.000000 0.007511 -0.004865 Mn\n0.000000 0.325822 0.338201 Mn\n0.000000 0.666667 0.666667 V\n0.500000 0.166666 0.666669 V\n-0.000000 0.174265 0.899292 O\n-0.000000 0.507091 0.761529 O\n0.499999 0.007090 0.761529 O\n0.000000 0.826243 0.571807 O\n0.500000 0.326242 0.571808 O\n0.000001 0.829566 0.109296 O\n0.500001 0.329566 0.109297 O\n0.000000 0.503768 0.224040 O\n0.500000 0.003767 0.224040 O\n0.000000 0.159068 0.434046 O\n0.500000 0.659068 0.434044 O\n0.500000 0.674265 0.899291 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.250836977716564,
"density_atomic": 0.11064435745309868,
"volume": 216.911196851348,
"volume_molar": 5.442790666078693,
"formula_full": "Li6 Mn4 V2 O12",
"formula_reduced": "Li3Mn2VO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.8066141402298848,
"spacegroup": 12
},
{
"id": "jvasp-37875",
"created_at": "2022-09-04T14:38:06.267647Z",
"updated_at": "2022-09-04T14:38:06.267675Z",
"structure_string": "B1 Pb1 O3\n1.0\n3.562099 -0.000000 0.000000\n0.000000 3.562099 -0.000000\n0.000000 -0.000000 3.562099\nB Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"Pb",
"O"
],
"chemical_system": "B-O-Pb",
"density": 9.772997735534231,
"density_atomic": 0.11062468521932176,
"volume": 45.197868722402454,
"volume_molar": 5.443758549966178,
"formula_full": "B1 Pb1 O3",
"formula_reduced": "BPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3808947806666665,
"spacegroup": 221
},
{
"id": "jvasp-43908",
"created_at": "2022-09-04T14:36:57.892043Z",
"updated_at": "2022-09-04T14:36:57.892062Z",
"structure_string": "Fe6 O11 F1\n1.0\n0.000000 6.241039 0.002361\n2.834472 0.000000 0.000000\n0.000000 -3.118471 -9.199877\nFe O F\n6 11 1\ndirect\n0.004786 0.000000 0.002283 Fe\n0.502063 0.500000 -0.000608 Fe\n0.335828 0.000000 0.664387 Fe\n0.144577 0.500000 0.333327 Fe\n0.836006 0.500000 0.667280 Fe\n0.680961 0.000000 0.333326 Fe\n0.594639 0.500000 0.202751 O\n0.725465 0.500000 0.463908 O\n0.068832 0.500000 0.135211 O\n0.639274 0.000000 0.668724 O\n0.937719 0.500000 0.870705 O\n0.700772 0.000000 0.002819 O\n0.400604 0.500000 0.795963 O\n0.965051 0.000000 0.333265 O\n0.031386 0.000000 0.664030 O\n0.303786 0.000000 -0.002228 O\n0.266779 0.500000 0.531457 O\n0.361477 0.000000 0.333404 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.409040245157813,
"density_atomic": 0.11061578628268127,
"volume": 162.72541745534016,
"volume_molar": 5.444196495254552,
"formula_full": "Fe6 O11 F1",
"formula_reduced": "Fe6O11F",
"formula_anonymous": "AB6C11",
"energy_above_hull": 3.199112876805556,
"spacegroup": 38
},
{
"id": "jvasp-91300",
"created_at": "2022-09-04T14:36:01.032413Z",
"updated_at": "2022-09-04T14:36:01.032433Z",
"structure_string": "Fe28 C12\n1.0\n4.518973 0.000000 0.000000\n0.000000 6.840328 0.000000\n0.000000 0.000000 11.698786\nFe C\n28 12\ndirect\n0.204490 0.750000 0.698708 Fe\n0.725188 0.750000 0.588479 Fe\n0.225189 0.750000 0.911522 Fe\n0.080716 0.250000 0.627422 Fe\n0.580716 0.250000 0.872578 Fe\n0.919283 0.750000 0.372578 Fe\n0.419284 0.750000 0.127422 Fe\n0.438282 0.936102 0.308028 Fe\n0.774810 0.250000 0.088479 Fe\n0.938281 0.563898 0.191972 Fe\n0.061718 0.063898 0.808028 Fe\n0.750826 0.066192 0.484685 Fe\n0.250827 0.433808 0.015316 Fe\n0.249173 0.566192 0.515316 Fe\n0.749173 0.933808 0.984685 Fe\n0.249173 0.933808 0.515316 Fe\n0.749173 0.566192 0.984685 Fe\n0.561718 0.436102 0.691972 Fe\n0.274811 0.250000 0.411522 Fe\n0.250827 0.066192 0.015316 Fe\n0.704490 0.750000 0.801292 Fe\n0.795509 0.250000 0.301292 Fe\n0.295509 0.250000 0.198708 Fe\n0.561718 0.063898 0.691972 Fe\n0.061718 0.436102 0.808028 Fe\n0.438282 0.563898 0.308028 Fe\n0.938281 0.936102 0.191972 Fe\n0.750826 0.433808 0.484685 Fe\n0.531804 0.750000 0.438299 C\n0.968195 0.250000 0.938299 C\n0.468195 0.250000 0.561702 C\n0.542311 0.026393 0.146349 C\n0.042311 0.473607 0.353652 C\n0.957688 0.526393 0.646349 C\n0.957688 0.973608 0.646349 C\n0.457688 0.973608 0.853652 C\n0.542311 0.473607 0.146349 C\n0.042311 0.026393 0.353652 C\n0.457688 0.526393 0.853652 C\n0.031805 0.750000 0.061702 C\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Fe",
"C"
],
"chemical_system": "C-Fe",
"density": 7.841979208595944,
"density_atomic": 0.11061207031849685,
"volume": 361.6241869881274,
"volume_molar": 5.44437939065766,
"formula_full": "Fe28 C12",
"formula_reduced": "Fe7C3",
"formula_anonymous": "A3B7",
"energy_above_hull": 5.04983985,
"spacegroup": 62
},
{
"id": "jvasp-50654",
"created_at": "2022-09-04T14:37:06.264856Z",
"updated_at": "2022-09-04T14:37:06.264871Z",
"structure_string": "Li2 Ti1 Cu1 O4\n1.0\n5.360750 0.031891 -0.000000\n2.374803 4.806139 -0.000000\n-3.867777 -2.419015 2.815552\nLi Ti Cu O\n2 1 1 4\ndirect\n0.249999 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.749999 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n0.530804 0.030805 0.500000 O\n0.256156 0.256156 0.000000 O\n0.969195 0.469196 0.500000 O\n0.743843 0.743844 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O-Ti",
"density": 4.345860581340376,
"density_atomic": 0.1106071094304223,
"volume": 72.32808127069283,
"volume_molar": 5.4446235789104,
"formula_full": "Li2 Ti1 Cu1 O4",
"formula_reduced": "Li2TiCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.8216203479166664,
"spacegroup": 119
}
]
}