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=nelements&page=4543",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4541",
"results": [
{
"id": "jvasp-47039",
"created_at": "2022-09-04T14:38:01.678964Z",
"updated_at": "2022-09-04T14:38:01.678980Z",
"structure_string": "Li3 Mn3 Co1 O8\n1.0\n1.601850 -2.476174 -4.827265\n5.054827 1.492465 -2.402696\n-0.000000 -2.949130 4.827265\nLi Mn Co O\n3 3 1 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 -0.000000 0.500000 Mn\n0.499999 0.000000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.256980 0.217347 0.237163 O\n0.257426 0.227724 0.742574 O\n0.762836 0.217347 0.237163 O\n0.762837 0.217347 0.743020 O\n0.237164 0.782653 0.256980 O\n0.237164 0.782653 0.762837 O\n0.742575 0.772276 0.257426 O\n0.743021 0.782653 0.762837 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.666562995509324,
"density_atomic": 0.11314532734983328,
"volume": 132.57286316050508,
"volume_molar": 5.3224829527252,
"formula_full": "Li3 Mn3 Co1 O8",
"formula_reduced": "Li3Mn3CoO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.9679553749425285,
"spacegroup": 166
},
{
"id": "jvasp-28687",
"created_at": "2022-09-04T14:37:54.035364Z",
"updated_at": "2022-09-04T14:37:54.035389Z",
"structure_string": "Te4 Mo4 Se2 S2\n1.0\n3.406218 0.000000 0.000000\n-1.703108 2.949880 0.000053\n0.000000 0.000408 37.220349\nTe Mo Se S\n4 4 2 2\ndirect\n0.333322 0.666645 0.326357 Te\n0.666648 0.333296 0.421883 Te\n0.666632 0.333262 0.522661 Te\n0.333343 0.666689 0.225512 Te\n0.333392 0.666784 0.097201 Mo\n0.333303 0.666606 0.472290 Mo\n0.666669 0.333339 0.275964 Mo\n0.666637 0.333274 0.657503 Mo\n0.333293 0.666587 0.701713 Se\n0.333307 0.666615 0.613214 Se\n0.666733 0.333466 0.056886 S\n0.666721 0.333440 0.137564 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te",
"density": 4.956073934072968,
"density_atomic": 0.03208662333245742,
"volume": 373.98762330535817,
"volume_molar": 18.76838425035603,
"formula_full": "Te4 Mo4 Se2 S2",
"formula_reduced": "Te2Mo2SeS",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.0844417833333333,
"spacegroup": 156
},
{
"id": "jvasp-29437",
"created_at": "2022-09-04T14:37:54.026989Z",
"updated_at": "2022-09-04T14:37:54.027009Z",
"structure_string": "Sm2 Ti3 Bi2 O12\n1.0\n3.792748 0.000385 -0.437102\n-0.050718 3.792407 -0.437131\n-0.002176 -0.002328 16.648242\nSm Ti Bi O\n2 3 2 12\ndirect\n0.065415 0.065411 0.130923 Sm\n0.934584 0.934591 0.869077 Sm\n0.373267 0.373267 0.746432 Ti\n0.500000 0.500001 0.000000 Ti\n0.626731 0.626734 0.253568 Ti\n0.210595 0.210590 0.421103 Bi\n0.789404 0.789412 0.578897 Bi\n0.558715 0.558719 0.117463 O\n0.318633 0.318630 0.637102 O\n0.386745 0.886740 0.773391 O\n0.886741 0.386744 0.773391 O\n0.613255 0.113261 0.226609 O\n0.249997 0.750003 0.500000 O\n0.750001 0.249998 0.500000 O\n0.441284 0.441283 0.882537 O\n0.113257 0.613258 0.226609 O\n0.681365 0.681371 0.362898 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000001 0.000000 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Sm",
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sm-Ti",
"density": 7.311030212499835,
"density_atomic": 0.07934678574771087,
"volume": 239.45519432144286,
"volume_molar": 7.589646767983588,
"formula_full": "Sm2 Ti3 Bi2 O12",
"formula_reduced": "Sm2Ti3(BiO6)2",
"formula_anonymous": "A2B2C3D12",
"energy_above_hull": 2.8506385973684205,
"spacegroup": 139
},
{
"id": "jvasp-40672",
"created_at": "2022-09-04T14:38:02.650852Z",
"updated_at": "2022-09-04T14:38:02.650873Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.004806 -0.000000 0.000000\n0.000000 6.328723 0.000000\n0.000000 0.000000 9.336023\nLi Mn P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.527097 0.250000 0.146795 Mn\n0.027096 0.750000 0.353205 Mn\n0.972905 0.250000 0.646795 Mn\n0.472904 0.750000 0.853205 Mn\n0.460058 0.250000 0.820081 P\n0.960058 0.750000 0.679918 P\n0.039943 0.250000 0.320081 P\n0.539943 0.750000 0.179918 P\n0.328587 0.447386 0.889031 O\n0.894957 0.750000 0.844041 O\n0.394957 0.250000 0.655959 O\n0.828587 0.552614 0.610969 O\n0.828587 0.947385 0.610969 O\n0.265397 0.750000 0.651526 O\n0.734603 0.250000 0.348474 O\n0.671414 0.947385 0.110970 O\n0.171413 0.052614 0.389030 O\n0.605044 0.750000 0.344041 O\n0.105043 0.250000 0.155959 O\n0.671414 0.552614 0.110970 O\n0.328587 0.052614 0.889031 O\n0.234603 0.750000 0.151526 O\n0.171413 0.447386 0.389030 O\n0.765398 0.250000 0.848474 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.5231366683111647,
"density_atomic": 0.09468752898061362,
"volume": 295.7094804505114,
"volume_molar": 6.360014697640886,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.550815248768473,
"spacegroup": 62
},
{
"id": "jvasp-25917",
"created_at": "2022-09-04T14:37:53.991110Z",
"updated_at": "2022-09-04T14:37:53.991126Z",
"structure_string": "Rb2 Al2 As4 O14\n1.0\n6.311594 -0.010199 -0.021061\n-1.402544 6.247458 0.037355\n-2.045475 -1.427185 7.904894\nRb Al As O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 -0.000000 0.500000 Rb\n0.620089 0.309935 0.773182 Al\n0.379912 0.690065 0.226818 Al\n0.171993 0.469500 0.812485 As\n0.828008 0.530499 0.187516 As\n0.506707 0.754631 0.662565 As\n0.493294 0.245369 0.337436 As\n0.216301 0.631538 0.651287 O\n0.672533 0.616924 0.780079 O\n0.783700 0.368461 0.348713 O\n0.538738 0.748903 0.465599 O\n0.666630 0.711783 0.182033 O\n0.427395 0.992920 0.224544 O\n0.572606 0.007080 0.775457 O\n0.097715 0.685137 0.273125 O\n0.327467 0.383075 0.219920 O\n0.222356 0.650741 0.989796 O\n0.461263 0.251097 0.534401 O\n0.333371 0.288216 0.817967 O\n0.902286 0.314862 0.726876 O\n0.777644 0.349258 0.010204 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Al",
"As",
"O"
],
"chemical_system": "Al-As-O-Rb",
"density": 3.9890393600742056,
"density_atomic": 0.07060014822763105,
"volume": 311.614076631496,
"volume_molar": 8.529926510328616,
"formula_full": "Rb2 Al2 As4 O14",
"formula_reduced": "RbAlAs2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.276290072727273,
"spacegroup": 2
},
{
"id": "jvasp-40981",
"created_at": "2022-09-04T14:37:53.980376Z",
"updated_at": "2022-09-04T14:37:53.980399Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.788244 -0.000000 0.000000\n-0.000000 5.866226 0.000000\n0.000000 0.000000 10.123990\nLi Fe Si O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.990234 0.250000 0.726231 Fe\n0.509765 0.250000 0.226231 Fe\n0.490234 0.750000 0.773769 Fe\n0.009766 0.750000 0.273769 Fe\n0.059366 0.250000 0.407104 Si\n0.440633 0.250000 0.907104 Si\n0.559366 0.750000 0.092896 Si\n0.940633 0.750000 0.592896 Si\n0.215764 0.033470 0.329936 O\n0.215764 0.466530 0.329936 O\n0.284235 0.033470 0.829936 O\n0.284235 0.466530 0.829936 O\n0.279288 0.750000 0.600085 O\n0.810111 0.750000 0.442458 O\n0.189888 0.250000 0.557542 O\n0.779287 0.250000 0.899915 O\n0.784235 0.533470 0.670064 O\n0.784235 0.966531 0.670064 O\n0.715764 0.533470 0.170064 O\n0.715764 0.966531 0.170064 O\n0.220712 0.750000 0.100085 O\n0.310112 0.250000 0.057542 O\n0.720712 0.250000 0.399915 O\n0.689888 0.750000 0.942458 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.6173213547828476,
"density_atomic": 0.09846259109227734,
"volume": 284.37195984167136,
"volume_molar": 6.116171322727186,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438135442857143,
"spacegroup": 62
},
{
"id": "jvasp-108986",
"created_at": "2022-09-04T14:37:46.443043Z",
"updated_at": "2022-09-04T14:37:46.443074Z",
"structure_string": "K2 Ti1 Hg1 F6\n1.0\n5.742108 -0.000000 3.315207\n1.914036 5.413711 3.315207\n-0.000000 -0.000000 6.630415\nK Ti Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.500000 Hg\n0.200973 0.200973 0.799027 F\n0.200973 0.799027 0.799027 F\n0.799028 0.799027 0.200973 F\n0.200973 0.799027 0.200973 F\n0.799028 0.200973 0.799027 F\n0.799028 0.200973 0.200973 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ti",
"Hg",
"F"
],
"chemical_system": "F-Hg-K-Ti",
"density": 3.550012160222373,
"density_atomic": 0.048516879849571815,
"volume": 206.1138315366802,
"volume_molar": 12.412465060968156,
"formula_full": "K2 Ti1 Hg1 F6",
"formula_reduced": "K2TiHgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-9338",
"created_at": "2022-09-04T14:37:53.816348Z",
"updated_at": "2022-09-04T14:37:53.816368Z",
"structure_string": "Al1 Cr1 W2 O8\n1.0\n-4.886746 -0.040198 0.037358\n1.759949 5.384812 0.024822\n-0.435832 -2.578112 -5.846496\nAl Cr W O\n1 1 2 8\ndirect\n0.459509 0.091448 0.596866 Al\n0.974293 0.094711 0.213939 Cr\n0.716537 0.600544 0.401098 W\n0.239518 0.594854 0.060681 W\n0.640353 0.887703 0.646069 O\n0.732467 0.321089 0.490468 O\n0.631021 0.793371 0.200774 O\n0.857989 0.390768 0.094937 O\n0.162051 0.839216 0.980616 O\n0.318756 0.336247 0.800096 O\n0.329474 0.404403 0.279266 O\n0.138130 0.841739 0.413691 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Al",
"Cr",
"W",
"O"
],
"chemical_system": "Al-Cr-O-W",
"density": 6.23526433028316,
"density_atomic": 0.07841180684441573,
"volume": 153.03817732207514,
"volume_molar": 7.68014537906147,
"formula_full": "Al1 Cr1 W2 O8",
"formula_reduced": "AlCr(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 4.040124016666668,
"spacegroup": 1
},
{
"id": "jvasp-57180",
"created_at": "2022-09-04T14:37:37.080354Z",
"updated_at": "2022-09-04T14:37:37.080367Z",
"structure_string": "Dy6 Cu2 Sn2 S14\n1.0\n4.859604 -8.417082 -0.000000\n4.859604 8.417082 -0.000000\n0.000000 0.000000 6.227632\nDy Cu Sn S\n6 2 2 14\ndirect\n0.846733 0.206805 0.266764 Dy\n0.153266 0.793194 0.766764 Dy\n0.793194 0.639927 0.266764 Dy\n0.639927 0.846733 0.766764 Dy\n0.360072 0.153266 0.266764 Dy\n0.206805 0.360072 0.766764 Dy\n0.000000 0.000000 0.151057 Cu\n0.000000 0.000000 0.651056 Cu\n0.666667 0.333333 0.830785 Sn\n0.333333 0.666667 0.330785 Sn\n0.117517 0.853528 0.188101 S\n0.080069 0.520792 0.513572 S\n0.853528 0.736009 0.688100 S\n0.440722 0.919930 0.513572 S\n0.882482 0.146471 0.688100 S\n0.520791 0.440722 0.013573 S\n0.479208 0.559277 0.513572 S\n0.333333 0.666667 0.945244 S\n0.146471 0.263990 0.188101 S\n0.559277 0.080069 0.013573 S\n0.736009 0.882482 0.188101 S\n0.666667 0.333333 0.445245 S\n0.263990 0.117517 0.688100 S\n0.919930 0.479208 0.013573 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Dy",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-Dy-S-Sn",
"density": 5.82912978418458,
"density_atomic": 0.047108130068808055,
"volume": 509.46619967603516,
"volume_molar": 12.783654862130625,
"formula_full": "Dy6 Cu2 Sn2 S14",
"formula_reduced": "Dy3CuSnS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.6477451374999998,
"spacegroup": 173
},
{
"id": "jvasp-51974",
"created_at": "2022-09-04T14:37:37.024337Z",
"updated_at": "2022-09-04T14:37:37.024363Z",
"structure_string": "Ca4 Mg4 Si4 O16\n1.0\n5.203492 0.000000 0.000000\n0.000000 6.798789 0.000000\n0.000000 0.000000 9.124987\nCa Mg Si O\n4 4 4 16\ndirect\n0.023107 0.750000 0.355001 Ca\n0.976893 0.250000 0.644999 Ca\n0.523106 0.250000 0.144999 Ca\n0.476893 0.750000 0.855001 Ca\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.968841 0.750000 0.680708 Si\n0.531159 0.750000 0.180708 Si\n0.468841 0.250000 0.819292 Si\n0.031159 0.250000 0.319292 Si\n0.313996 0.441842 0.881821 O\n0.441883 0.250000 0.638096 O\n0.058117 0.250000 0.138096 O\n0.313996 0.058158 0.881821 O\n0.813996 0.941842 0.618180 O\n0.941882 0.750000 0.861904 O\n0.269206 0.750000 0.620405 O\n0.186004 0.441842 0.381821 O\n0.769206 0.250000 0.879596 O\n0.686003 0.558158 0.118179 O\n0.186004 0.058158 0.381821 O\n0.230794 0.750000 0.120404 O\n0.686003 0.941842 0.118179 O\n0.730794 0.250000 0.379596 O\n0.813996 0.558158 0.618180 O\n0.558117 0.750000 0.361904 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ca-Mg-O-Si",
"density": 3.21936811016686,
"density_atomic": 0.08673598656236682,
"volume": 322.81871815531633,
"volume_molar": 6.943070573907437,
"formula_full": "Ca4 Mg4 Si4 O16",
"formula_reduced": "CaMgSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4227174385714283,
"spacegroup": 62
},
{
"id": "jvasp-28739",
"created_at": "2022-09-04T14:37:53.801139Z",
"updated_at": "2022-09-04T14:37:53.801173Z",
"structure_string": "Te2 Mo4 Se4 S2\n1.0\n3.349620 -0.000010 -0.001784\n-1.674820 2.900864 0.002466\n0.012656 -0.015812 26.560376\nTe Mo Se S\n2 4 4 2\ndirect\n0.332527 0.666185 0.827015 Te\n0.332393 0.666099 0.683835 Te\n0.333967 0.667296 0.007974 Mo\n0.332759 0.665948 0.493302 Mo\n0.667483 0.333947 0.246239 Mo\n0.665801 0.332808 0.755399 Mo\n0.334187 0.667302 0.308941 Se\n0.666055 0.332592 0.430561 Se\n0.666139 0.332644 0.556038 Se\n0.334098 0.667254 0.183514 Se\n0.667250 0.333926 0.950846 S\n0.667346 0.333995 0.065086 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te",
"density": 6.555967870626859,
"density_atomic": 0.04649696605097056,
"volume": 258.0813549607828,
"volume_molar": 12.95168539254465,
"formula_full": "Te2 Mo4 Se4 S2",
"formula_reduced": "TeMo2Se2S",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.1485377166666666,
"spacegroup": 156
},
{
"id": "jvasp-26498",
"created_at": "2022-09-04T14:37:53.744554Z",
"updated_at": "2022-09-04T14:37:53.744574Z",
"structure_string": "Rb2 Sn2 I2 O12\n1.0\n2.686736 -4.653563 0.000000\n2.686736 4.653563 0.000000\n0.000000 -0.000000 12.460027\nRb Sn I O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666668 0.333334 0.250000 Sn\n0.333334 0.666668 0.750000 Sn\n0.333334 0.666668 0.250000 I\n0.666668 0.333334 0.750000 I\n0.974893 0.369797 0.660766 O\n0.605097 0.630205 0.339234 O\n0.025109 0.630204 0.160766 O\n0.394904 0.025108 0.660766 O\n0.394905 0.369797 0.839234 O\n0.630204 0.025109 0.839234 O\n0.974893 0.605097 0.839234 O\n0.630205 0.605097 0.660766 O\n0.369797 0.394905 0.160766 O\n0.025108 0.394904 0.339234 O\n0.605097 0.974893 0.160766 O\n0.369797 0.974893 0.339234 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Sn",
"I",
"O"
],
"chemical_system": "I-O-Rb-Sn",
"density": 4.552263613357291,
"density_atomic": 0.05777140553323321,
"volume": 311.57282454631354,
"volume_molar": 10.42408559115935,
"formula_full": "Rb2 Sn2 I2 O12",
"formula_reduced": "RbSnIO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.666620997222222,
"spacegroup": 182
}
]
}