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=399",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=397",
"results": [
{
"id": "jvasp-103901",
"created_at": "2022-09-04T14:37:00.346578Z",
"updated_at": "2022-09-04T14:37:00.346603Z",
"structure_string": "Al1 H6 C5 Cl1 O4\n1.0\n5.118396 0.046620 1.105424\n-0.075029 5.295854 2.726600\n-0.085888 -0.227230 6.285874\nAl H C Cl O\n1 6 5 1 4\ndirect\n0.238677 0.900178 0.529172 Al\n0.750984 0.557572 0.502027 H\n0.803664 0.283918 0.456094 H\n0.119549 0.551619 0.060661 H\n0.970441 0.812529 0.103490 H\n0.525580 0.612411 0.153305 H\n0.703126 0.399435 0.055950 H\n0.891279 0.460197 0.416338 C\n0.941804 0.617482 0.142988 C\n0.140379 0.408731 0.515021 C\n0.692299 0.760790 0.792124 C\n0.708681 0.589109 0.045147 C\n0.351882 0.071631 0.141215 Cl\n0.257742 0.200241 0.558727 O\n0.472537 0.778966 0.730055 O\n0.889809 0.878159 0.643055 O\n0.244466 0.574453 0.547504 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.836452565961429,
"density_atomic": 0.09765033395986718,
"volume": 174.09054644899365,
"volume_molar": 6.167045739418575,
"formula_full": "Al1 H6 C5 Cl1 O4",
"formula_reduced": "AlH6C5ClO4",
"formula_anonymous": "ABC4D5E6",
"energy_above_hull": 4.151648874558823,
"spacegroup": 1
},
{
"id": "jvasp-48482",
"created_at": "2022-09-04T14:36:14.180538Z",
"updated_at": "2022-09-04T14:36:14.180563Z",
"structure_string": "Mn6 O8 F4\n1.0\n-4.787887 4.787887 3.008752\n-0.172985 4.550065 -2.913903\n-4.550065 0.172985 -2.913903\nMn O F\n6 8 4\ndirect\n0.838827 0.671085 0.671085 Mn\n0.666667 0.333333 0.333333 Mn\n0.318098 0.641877 0.641877 Mn\n0.166667 0.333333 0.333333 Mn\n0.494505 0.995580 0.995580 Mn\n0.015235 0.024789 0.024789 Mn\n0.014053 0.702709 0.313038 O\n0.014053 0.313038 0.702709 O\n0.666667 0.634155 0.032511 O\n0.319280 0.963955 0.353628 O\n0.953292 0.249774 0.249774 O\n0.319280 0.353628 0.963955 O\n0.666667 0.032511 0.634155 O\n0.380041 0.416892 0.416892 O\n0.692771 0.109225 0.109225 F\n0.314380 0.869984 0.869984 F\n0.640562 0.557442 0.557442 F\n0.018953 0.796680 0.796680 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.807003259131621,
"density_atomic": 0.09764906740442908,
"volume": 184.33355769236533,
"volume_molar": 6.167125728972248,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6770329210153254,
"spacegroup": 12
},
{
"id": "jvasp-18430",
"created_at": "2022-09-04T14:36:48.213393Z",
"updated_at": "2022-09-04T14:36:48.213418Z",
"structure_string": "Fe1 O2\n1.0\n2.657650 -0.024707 3.943867\n1.186542 2.378199 3.943867\n-0.040355 -0.024707 4.755582\nFe O\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.261518 0.261519 0.261521 O\n0.738482 0.738478 0.738484 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.747927120827958,
"density_atomic": 0.09764838992528277,
"volume": 30.722472764737834,
"volume_molar": 6.167168516150587,
"formula_full": "Fe1 O2",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0170475000000003,
"spacegroup": 166
},
{
"id": "jvasp-90840",
"created_at": "2022-09-04T14:35:55.321636Z",
"updated_at": "2022-09-04T14:35:55.321660Z",
"structure_string": "Sc2 Fe2 C4\n1.0\n3.345130 0.000000 0.000000\n0.000000 3.345130 0.000000\n-0.000000 0.000000 7.321494\nSc Fe C\n2 2 4\ndirect\n0.750000 0.750000 0.651669 Sc\n0.250000 0.250000 0.348330 Sc\n0.750000 0.250000 0.000000 Fe\n0.250000 0.750000 0.000000 Fe\n0.750000 0.750000 0.157950 C\n0.250000 0.250000 0.842050 C\n0.750000 0.750000 0.350478 C\n0.250000 0.250000 0.649521 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"C"
],
"chemical_system": "C-Fe-Sc",
"density": 5.0599427652701685,
"density_atomic": 0.09764820757536027,
"volume": 81.92674703041506,
"volume_molar": 6.167180032825893,
"formula_full": "Sc2 Fe2 C4",
"formula_reduced": "ScFeC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.4278326875,
"spacegroup": 129
},
{
"id": "jvasp-16897",
"created_at": "2022-09-04T14:37:54.212551Z",
"updated_at": "2022-09-04T14:37:54.212570Z",
"structure_string": "Mo1 N1\n1.0\n1.438886 -2.492223 -0.000000\n1.438886 2.492223 -0.000000\n-0.000000 -0.000000 2.855852\nMo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.666668 0.333335 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 8.913583080771224,
"density_atomic": 0.09764522629039166,
"volume": 20.4823121004616,
"volume_molar": 6.167368327961551,
"formula_full": "Mo1 N1",
"formula_reduced": "MoN",
"formula_anonymous": "AB",
"energy_above_hull": 3.472424575,
"spacegroup": 187
},
{
"id": "jvasp-38495",
"created_at": "2022-09-04T14:37:46.742068Z",
"updated_at": "2022-09-04T14:37:46.742098Z",
"structure_string": "Na1 As1 O3\n1.0\n3.713491 -0.000000 0.000000\n0.000000 3.713491 0.000000\n0.000000 0.000000 3.713491\nNa As O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 As\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": [
"Na",
"As",
"O"
],
"chemical_system": "As-Na-O",
"density": 4.731357296859439,
"density_atomic": 0.09763889982674613,
"volume": 51.20909810405662,
"volume_molar": 6.167767939505562,
"formula_full": "Na1 As1 O3",
"formula_reduced": "NaAsO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.62326025,
"spacegroup": 221
},
{
"id": "jvasp-48257",
"created_at": "2022-09-04T14:36:12.871884Z",
"updated_at": "2022-09-04T14:36:12.871906Z",
"structure_string": "Li8 Co5 O10\n1.0\n5.138655 0.033427 -0.064730\n-2.494423 5.920798 -0.049591\n-1.832819 -0.942584 7.757359\nLi Co O\n8 5 10\ndirect\n0.710876 0.130646 0.964618 Li\n0.527944 0.960749 0.345754 Li\n0.289124 0.869355 0.035382 Li\n0.472056 0.039253 0.654247 Li\n0.080030 0.503065 0.167188 Li\n0.099940 0.679776 0.444066 Li\n0.900060 0.320226 0.555934 Li\n0.919970 0.496937 0.832812 Li\n0.900916 0.898491 0.694859 Co\n0.500000 0.500001 0.500000 Co\n0.099084 0.101510 0.305142 Co\n0.701117 0.696720 0.096901 Co\n0.298884 0.303282 0.903099 Co\n0.900902 0.179723 0.775361 O\n0.714347 0.979597 0.164738 O\n0.699237 0.427259 0.005612 O\n0.471520 0.205647 0.458623 O\n0.099098 0.820278 0.224639 O\n0.300763 0.572741 -0.005612 O\n0.285653 0.020404 0.835262 O\n0.528480 0.794354 0.541377 O\n0.104199 0.379790 0.382774 O\n0.895801 0.620211 0.617226 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 3.596294788773576,
"density_atomic": 0.09763461185428082,
"volume": 235.5721968181467,
"volume_molar": 6.168038819049146,
"formula_full": "Li8 Co5 O10",
"formula_reduced": "Li8(CoO2)5",
"formula_anonymous": "A5B8C10",
"energy_above_hull": 2.4817365,
"spacegroup": 2
},
{
"id": "jvasp-47472",
"created_at": "2022-09-04T14:36:58.893613Z",
"updated_at": "2022-09-04T14:36:58.893641Z",
"structure_string": "Li2 Cr2 P2 O8\n1.0\n2.768720 4.040787 0.000000\n-2.768720 4.040787 0.000000\n0.000000 -0.000000 6.408696\nLi Cr P O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.207950 0.207950 0.250000 Cr\n0.792051 0.792051 0.750000 Cr\n0.144603 0.144603 0.750000 P\n0.855397 0.855397 0.250000 P\n0.196866 0.740894 0.250000 O\n0.259107 0.803134 0.750000 O\n0.743704 0.743704 0.054623 O\n0.256297 0.256297 0.554624 O\n0.256297 0.256297 0.945377 O\n0.743704 0.743704 0.445377 O\n0.740894 0.196866 0.250000 O\n0.803134 0.259107 0.750000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.5644861250721753,
"density_atomic": 0.09763001876250843,
"volume": 143.3985179707477,
"volume_molar": 6.168328999965944,
"formula_full": "Li2 Cr2 P2 O8",
"formula_reduced": "LiCrPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.649925271428572,
"spacegroup": 63
},
{
"id": "jvasp-42419",
"created_at": "2022-09-04T14:37:29.810955Z",
"updated_at": "2022-09-04T14:37:29.810978Z",
"structure_string": "Fe4 O4 F4\n1.0\n0.000000 4.637206 0.023504\n2.879719 0.000000 0.000000\n0.000000 -0.588207 -9.207400\nFe O F\n4 4 4\ndirect\n0.942796 0.000000 0.007140 Fe\n0.015568 0.000000 0.492524 Fe\n0.473947 0.500000 0.744440 Fe\n0.554686 0.500000 0.256651 Fe\n0.787227 0.500000 0.110662 O\n0.669426 0.000000 0.844492 O\n0.725480 0.000000 0.350095 O\n0.301174 0.000000 0.640455 O\n0.827760 0.500000 0.586440 F\n0.312989 0.000000 0.160302 F\n0.173131 0.500000 0.909389 F\n0.215818 0.500000 0.397410 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.909042048403978,
"density_atomic": 0.09762889688920502,
"volume": 122.91442782169608,
"volume_molar": 6.16839988147595,
"formula_full": "Fe4 O4 F4",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1230764275,
"spacegroup": 6
},
{
"id": "jvasp-66758",
"created_at": "2022-09-04T14:36:19.188111Z",
"updated_at": "2022-09-04T14:36:19.188148Z",
"structure_string": "Be2 Co1 Pd1\n1.0\n2.745522 0.000000 -0.000000\n-0.000000 2.745522 0.000000\n-0.000000 0.000000 5.435580\nBe Co Pd\n2 1 1\ndirect\n0.000000 0.000000 0.030893 Be\n0.500000 0.500000 0.247288 Be\n0.000000 0.000000 0.440123 Co\n0.500000 0.500000 0.781696 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Pd"
],
"chemical_system": "Be-Co-Pd",
"density": 7.431894512333256,
"density_atomic": 0.09762571849308804,
"volume": 40.97280984706097,
"volume_molar": 6.1686007057928816,
"formula_full": "Be2 Co1 Pd1",
"formula_reduced": "Be2CoPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0979847,
"spacegroup": 99
},
{
"id": "jvasp-117417",
"created_at": "2022-09-04T14:38:26.534813Z",
"updated_at": "2022-09-04T14:38:26.534840Z",
"structure_string": "Mg3 Fe3 O8\n1.0\n5.082674 -0.007461 2.948195\n1.694643 4.791849 2.948195\n-0.010569 -0.007461 5.875824\nMg Fe O\n3 3 8\ndirect\n-0.000000 0.000000 0.500000 Mg\n-0.000000 0.500000 0.000001 Mg\n0.500000 0.000000 0.000001 Mg\n0.368856 0.368857 0.368857 Fe\n0.631143 0.631144 0.631145 Fe\n0.000000 0.000000 0.000000 Fe\n0.230287 0.768018 0.768018 O\n0.757814 0.757816 0.757816 O\n0.768017 0.768018 0.230289 O\n0.768017 0.230288 0.768018 O\n0.231982 0.231982 0.769712 O\n0.231981 0.769713 0.231983 O\n0.769712 0.231982 0.231983 O\n0.242184 0.242185 0.242185 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.266319138809624,
"density_atomic": 0.09762462408472462,
"volume": 143.4064420862706,
"volume_molar": 6.168669858102212,
"formula_full": "Mg3 Fe3 O8",
"formula_reduced": "Mg3Fe3O8",
"formula_anonymous": "A3B3C8",
"energy_above_hull": 2.2361001178571427,
"spacegroup": 166
},
{
"id": "jvasp-30635",
"created_at": "2022-09-04T14:37:27.490452Z",
"updated_at": "2022-09-04T14:37:27.490477Z",
"structure_string": "Mg2 Mn3 O8\n1.0\n4.635697 0.032605 -1.387365\n-0.838534 4.983718 -2.684730\n-0.011741 -0.139875 5.843021\nMg Mn O\n2 3 8\ndirect\n0.650239 0.722763 0.445525 Mg\n0.349762 0.277240 0.554477 Mg\n0.500001 1.000000 0.000001 Mn\n1.000000 0.739299 0.000002 Mn\n1.000000 0.260703 0.000002 Mn\n0.071627 0.392605 0.785209 O\n0.928375 0.607396 0.214793 O\n0.091095 0.894773 0.789542 O\n0.908907 0.105229 0.210459 O\n0.398670 0.340313 0.226844 O\n0.398671 0.886532 0.226844 O\n0.601332 0.113469 0.773158 O\n0.601333 0.659689 0.773158 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.257349371567534,
"density_atomic": 0.09762149043380476,
"volume": 133.16739933216905,
"volume_molar": 6.168867872472709,
"formula_full": "Mg2 Mn3 O8",
"formula_reduced": "Mg2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.6912729095490717,
"spacegroup": 12
}
]
}