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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=976",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=974",
"results": [
{
"id": "jvasp-43204",
"created_at": "2022-09-04T14:36:20.901004Z",
"updated_at": "2022-09-04T14:36:20.901029Z",
"structure_string": "Li2 Mn1 Nb3 O8\n1.0\n6.230111 0.106038 0.074980\n3.206887 5.342416 0.074980\n3.206887 1.851497 5.011884\nLi Mn Nb O\n2 1 3 8\ndirect\n0.124011 0.124011 0.124011 Li\n0.499752 0.499753 0.499752 Li\n0.876167 0.876168 0.876166 Mn\n0.004961 0.498981 0.498980 Nb\n0.498980 0.004961 0.498980 Nb\n0.498980 0.498981 0.004961 Nb\n0.252821 0.252821 0.252821 O\n0.250828 0.250829 0.725904 O\n0.250828 0.725906 0.250827 O\n0.725905 0.250828 0.250827 O\n0.276580 0.745867 0.745865 O\n0.745866 0.276580 0.745865 O\n0.745866 0.745867 0.276579 O\n0.748457 0.748459 0.748456 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.831642669464955,
"density_atomic": 0.08566271222349883,
"volume": 163.43166865267133,
"volume_molar": 7.030060809057617,
"formula_full": "Li2 Mn1 Nb3 O8",
"formula_reduced": "Li2MnNb3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.4843273886699504,
"spacegroup": 160
},
{
"id": "jvasp-44621",
"created_at": "2022-09-04T14:36:10.081145Z",
"updated_at": "2022-09-04T14:36:10.081162Z",
"structure_string": "Li5 Mn3 Nb2 O10\n1.0\n5.311830 0.069730 0.035580\n1.032521 5.121436 0.000193\n2.608117 2.102202 7.251939\nLi Mn Nb O\n5 3 2 10\ndirect\n0.528490 0.780376 0.399617 Li\n0.506277 0.602252 0.786374 Li\n0.000000 0.500000 0.500000 Li\n0.493724 0.397748 0.213626 Li\n0.471511 0.219624 0.600382 Li\n0.500000 -0.000000 -0.000000 Mn\n0.989403 0.306937 0.899043 Mn\n0.010598 0.693063 0.100957 Mn\n0.993071 0.092952 0.323151 Nb\n0.006930 0.907048 0.676849 Nb\n0.248852 0.336166 0.058269 O\n0.233062 0.952985 0.846363 O\n0.751148 0.663835 0.941731 O\n0.747433 0.837740 0.548848 O\n0.257885 0.775445 0.243052 O\n0.230010 0.561284 0.654859 O\n0.769991 0.438717 0.345140 O\n0.742116 0.224555 0.756948 O\n0.252567 0.162260 0.451152 O\n0.766939 0.047015 0.153636 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.611584549852078,
"density_atomic": 0.10185326444271539,
"volume": 196.36091301961616,
"volume_molar": 5.9125652898312255,
"formula_full": "Li5 Mn3 Nb2 O10",
"formula_reduced": "Li5Mn3Nb2O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 3.1337572762068966,
"spacegroup": 2
},
{
"id": "jvasp-44512",
"created_at": "2022-09-04T14:36:03.047714Z",
"updated_at": "2022-09-04T14:36:03.047739Z",
"structure_string": "Li4 Mn5 Nb1 O12\n1.0\n5.049160 0.210842 -0.447182\n-2.353135 4.472274 -0.447182\n-0.860487 -1.494704 10.359292\nLi Mn Nb O\n4 5 1 12\ndirect\n0.292270 0.638332 0.730561 Li\n0.361669 0.707730 0.269440 Li\n0.638332 0.292270 0.730560 Li\n0.707730 0.361668 0.269440 Li\n0.164819 0.835181 0.500000 Mn\n0.335490 0.664510 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.664511 0.335489 0.000000 Mn\n0.835181 0.164819 0.500000 Mn\n0.000000 0.000000 0.000000 Nb\n0.857214 0.515285 0.610339 O\n0.484715 0.142786 0.389661 O\n0.764744 0.764744 0.401654 O\n0.596997 0.596997 0.894063 O\n0.403003 0.403003 0.105937 O\n0.109767 0.758108 0.112322 O\n0.515286 0.857214 0.610339 O\n0.142786 0.484715 0.389661 O\n0.241892 0.890234 0.887678 O\n0.758109 0.109766 0.112322 O\n0.235256 0.235256 0.598346 O\n0.890234 0.241892 0.887678 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.195341635566229,
"density_atomic": 0.0946327421455552,
"volume": 232.47767634337032,
"volume_molar": 6.363696774988627,
"formula_full": "Li4 Mn5 Nb1 O12",
"formula_reduced": "Li4Mn5NbO12",
"formula_anonymous": "AB4C5D12",
"energy_above_hull": 3.279753073040752,
"spacegroup": 12
},
{
"id": "jvasp-46464",
"created_at": "2022-09-04T14:35:43.322485Z",
"updated_at": "2022-09-04T14:35:43.322515Z",
"structure_string": "Li2 Mn3 Nb1 O8\n1.0\n5.868016 0.021833 0.015439\n2.952917 5.070935 0.015439\n2.952917 1.704867 4.775777\nLi Mn Nb O\n2 3 1 8\ndirect\n0.123809 0.123808 0.123809 Li\n0.876192 0.876192 0.876193 Li\n0.000000 0.500001 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500001 Nb\n0.264244 0.264244 0.264244 O\n0.253057 0.253057 0.721895 O\n0.253057 0.721895 0.253057 O\n0.721895 0.253056 0.253057 O\n0.278105 0.746944 0.746944 O\n0.746944 0.278105 0.746944 O\n0.746944 0.746943 0.278106 O\n0.735757 0.735757 0.735757 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.689555860534653,
"density_atomic": 0.09894358806655089,
"volume": 141.49476761024067,
"volume_molar": 6.086438623945415,
"formula_full": "Li2 Mn3 Nb1 O8",
"formula_reduced": "Li2Mn3NbO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.281081366009852,
"spacegroup": 166
},
{
"id": "jvasp-101144",
"created_at": "2022-09-04T14:36:51.149738Z",
"updated_at": "2022-09-04T14:36:51.149764Z",
"structure_string": "Na1 Li1 Mn1 S2\n1.0\n3.761231 0.000000 0.000000\n-1.880616 3.257321 0.000000\n-0.000000 -0.000000 6.631902\nNa Li Mn S\n1 1 1 2\ndirect\n0.666666 0.333333 0.983732 Na\n0.000000 0.000000 0.639081 Li\n0.333332 0.666666 0.372197 Mn\n0.000000 0.000000 0.283998 S\n0.333332 0.666666 0.720990 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Na",
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-Na-S",
"density": 3.045111810658757,
"density_atomic": 0.0615377110505109,
"volume": 81.25099089070666,
"volume_molar": 9.786098080666267,
"formula_full": "Na1 Li1 Mn1 S2",
"formula_reduced": "NaLiMnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.5421612482758618,
"spacegroup": 156
},
{
"id": "jvasp-105565",
"created_at": "2022-09-04T14:37:16.452670Z",
"updated_at": "2022-09-04T14:37:16.452687Z",
"structure_string": "Li2 Mn2 N4\n1.0\n3.196867 -0.000000 -4.173393\n-3.196868 3.196868 -0.000000\n0.000000 0.000000 8.346786\nLi Mn N\n2 2 4\ndirect\n0.000000 0.500000 0.750000 Li\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.500000 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.063454 0.125000 N\n0.500000 0.936546 0.625001 N\n0.373092 0.436546 0.311546 N\n0.626908 0.563455 0.938455 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"N"
],
"chemical_system": "Li-Mn-N",
"density": 3.4997235037280174,
"density_atomic": 0.09378241994781145,
"volume": 85.30383417757703,
"volume_molar": 6.421396209813347,
"formula_full": "Li2 Mn2 N4",
"formula_reduced": "LiMnN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6763534353448266,
"spacegroup": 122
},
{
"id": "jvasp-109809",
"created_at": "2022-09-04T14:38:18.952013Z",
"updated_at": "2022-09-04T14:38:18.952033Z",
"structure_string": "Li2 Mn1 N2\n1.0\n3.015640 0.000126 0.000206\n-1.507934 2.611423 -0.000027\n-0.000260 -0.000208 5.291894\nLi Mn N\n2 1 2\ndirect\n0.666658 0.333350 0.359424 Li\n0.333343 0.666675 0.640575 Li\n-0.000000 0.000015 0.000000 Mn\n0.666677 0.333357 0.795664 N\n0.333324 0.666668 0.204336 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Mn",
"N"
],
"chemical_system": "Li-Mn-N",
"density": 3.8583013414272256,
"density_atomic": 0.11997525121925161,
"volume": 41.67526176596731,
"volume_molar": 5.019485851290027,
"formula_full": "Li2 Mn1 N2",
"formula_reduced": "Li2MnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.273594748275862,
"spacegroup": 164
},
{
"id": "jvasp-117048",
"created_at": "2022-09-04T14:38:47.278946Z",
"updated_at": "2022-09-04T14:38:47.278963Z",
"structure_string": "Li6 Mn3 N6\n1.0\n6.352746 -0.004965 0.331126\n10.650784 4.673099 -0.000000\n0.008414 -0.019178 4.934984\nLi Mn N\n6 3 6\ndirect\n0.706855 0.961816 0.814702 Li\n0.706856 0.331327 0.814702 Li\n0.293146 0.038182 0.185298 Li\n0.293145 0.668672 0.185298 Li\n0.183016 0.908492 0.717048 Li\n0.816985 0.091507 0.282952 Li\n-0.000001 0.500000 0.000000 Mn\n-0.000000 0.404177 0.500000 Mn\n-0.000001 0.595823 0.500000 Mn\n0.597659 0.844944 0.793060 N\n0.597660 0.557394 0.793060 N\n0.402342 0.155055 0.206940 N\n0.402342 0.442605 0.206940 N\n0.534163 0.732918 0.336712 N\n0.465838 0.267081 0.663288 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Mn",
"N"
],
"chemical_system": "Li-Mn-N",
"density": 3.288586964253007,
"density_atomic": 0.1022597802188936,
"volume": 146.68523605166703,
"volume_molar": 5.889060926113103,
"formula_full": "Li6 Mn3 N6",
"formula_reduced": "Li2MnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.2865727482758618,
"spacegroup": 12
},
{
"id": "jvasp-80564",
"created_at": "2022-09-04T14:37:17.022656Z",
"updated_at": "2022-09-04T14:37:17.022682Z",
"structure_string": "Li1 Mg1 Zn2\n1.0\n-9.403214 0.000000 -5.428948\n-6.078005 0.054054 -0.330482\n-5.185887 2.577344 -1.875675\nLi Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 -0.000000 Mg\n0.760134 -0.000001 -0.000000 Zn\n0.239867 -0.000000 -0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 3.5193306438896315,
"density_atomic": 0.05230996279447367,
"volume": 76.4672690691071,
"volume_molar": 11.51241644667393,
"formula_full": "Li1 Mg1 Zn2",
"formula_reduced": "LiMgZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-101706",
"created_at": "2022-09-04T14:36:55.960471Z",
"updated_at": "2022-09-04T14:36:55.960491Z",
"structure_string": "Li2 Mg1 Zn1\n1.0\n3.977746 -0.000000 2.296553\n1.325915 3.750255 2.296553\n-0.000000 -0.000000 4.593105\nLi Mg Zn\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.750002 0.749999 0.749999 Mg\n0.500001 0.499999 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 2.5106597739990826,
"density_atomic": 0.05837888167387643,
"volume": 68.51792780727304,
"volume_molar": 10.315615145972911,
"formula_full": "Li2 Mg1 Zn1",
"formula_reduced": "Li2MgZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1816708333333332,
"spacegroup": 216
},
{
"id": "jvasp-41089",
"created_at": "2022-09-04T14:38:15.615591Z",
"updated_at": "2022-09-04T14:38:15.615603Z",
"structure_string": "Li1 Mg2 Zn1\n1.0\n0.000000 3.299482 3.299482\n3.299482 0.000000 3.299482\n3.299482 3.299482 0.000000\nLi Mg Zn\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 2.795912589191497,
"density_atomic": 0.055679163923895124,
"volume": 71.8401591925372,
"volume_molar": 10.815788771956674,
"formula_full": "Li1 Mg2 Zn1",
"formula_reduced": "LiMg2Zn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93205",
"created_at": "2022-09-04T14:36:14.633556Z",
"updated_at": "2022-09-04T14:36:14.633588Z",
"structure_string": "Li1 Mg6 W1\n1.0\n6.098512 0.000576 0.000000\n-3.048757 5.281753 0.000000\n0.000000 0.000000 4.904422\nLi Mg W\n1 6 1\ndirect\n0.083385 0.416615 0.250000 Li\n0.104594 0.927272 0.250000 Mg\n0.572727 0.395406 0.250000 Mg\n0.572739 0.927260 0.250000 Mg\n0.415272 0.582679 0.750000 Mg\n0.917321 0.084728 0.750000 Mg\n0.917318 0.582682 0.750000 Mg\n0.416641 0.083359 0.750000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"W"
],
"chemical_system": "Li-Mg-W",
"density": 3.5380496474326213,
"density_atomic": 0.05063799578759039,
"volume": 157.98413573786272,
"volume_molar": 11.892533790754447,
"formula_full": "Li1 Mg6 W1",
"formula_reduced": "LiMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5332130374999999,
"spacegroup": 187
}
]
}