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=-nsites&page=601",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=599",
"results": [
{
"id": "jvasp-50067",
"created_at": "2022-09-04T14:37:00.380748Z",
"updated_at": "2022-09-04T14:37:00.380769Z",
"structure_string": "Yb4 C4 O12\n1.0\n4.895195 -0.000417 -0.003193\n0.000116 5.560272 -0.000360\n0.005195 0.000355 7.765055\nYb C O\n4 4 12\ndirect\n0.249979 0.761897 0.914980 Yb\n0.750009 0.738103 0.414978 Yb\n0.249990 0.261897 0.585022 Yb\n0.750020 0.238103 0.085020 Yb\n0.250028 0.910534 0.264789 C\n0.749999 0.589468 0.764788 C\n0.250000 0.410532 0.235212 C\n0.749971 0.089466 0.735211 C\n0.749982 0.103315 0.569842 O\n0.249999 0.396681 0.069844 O\n0.478206 0.410031 0.319798 O\n0.021795 0.410029 0.319808 O\n0.978204 0.589971 0.680191 O\n0.021823 0.910040 0.180201 O\n0.750000 0.603319 0.930156 O\n0.250017 0.896684 0.430158 O\n0.978176 0.089960 0.819799 O\n0.478235 0.910025 0.180196 O\n0.521793 0.589969 0.680202 O\n0.521764 0.089975 0.819804 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Yb",
"C",
"O"
],
"chemical_system": "C-O-Yb",
"density": 7.323950235155727,
"density_atomic": 0.0946279069555465,
"volume": 211.35414111394675,
"volume_molar": 6.364021939985452,
"formula_full": "Yb4 C4 O12",
"formula_reduced": "YbCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.14328224,
"spacegroup": 62
},
{
"id": "jvasp-103938",
"created_at": "2022-09-04T14:36:44.728857Z",
"updated_at": "2022-09-04T14:36:44.728871Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.144319 0.068919 1.199124\n0.255448 5.856466 0.356202\n0.198852 0.075296 7.628614\nMg H C O\n2 4 6 8\ndirect\n-0.008317 0.827526 0.441237 Mg\n-0.015584 0.797724 0.013001 Mg\n0.195552 0.298055 0.427522 H\n0.237109 0.269913 0.710067 H\n0.585713 0.393610 0.416651 H\n0.230082 0.314985 0.936906 H\n0.389907 0.309338 0.795158 C\n0.444080 0.317789 0.338621 C\n0.654293 0.119869 0.776802 C\n0.509046 0.546987 0.724818 C\n0.443242 0.496068 0.185311 C\n0.616088 0.086621 0.297284 C\n0.174507 0.620706 0.208665 O\n0.695013 0.529591 0.053570 O\n0.785038 0.564259 0.603348 O\n0.466185 0.907200 0.370931 O\n0.684878 0.021226 0.924829 O\n0.921800 0.063131 0.211402 O\n0.829199 0.071806 0.616062 O\n0.314453 0.717429 0.781979 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.286252473630291,
"density_atomic": 0.10896771675965218,
"volume": 183.5405989474257,
"volume_molar": 5.526536610180526,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.713805305,
"spacegroup": 1
},
{
"id": "jvasp-58177",
"created_at": "2022-09-04T14:36:44.470748Z",
"updated_at": "2022-09-04T14:36:44.470776Z",
"structure_string": "Mg4 Mn2 Ir2 O12\n1.0\n0.000000 5.044890 0.023466\n5.253766 0.000000 0.000000\n0.000000 -4.977901 -7.442321\nMg Mn Ir O\n4 2 2 12\ndirect\n0.239986 0.939254 0.251053 Mg\n0.760014 0.439254 0.248947 Mg\n0.239986 0.560747 0.751053 Mg\n0.760014 0.060747 0.748947 Mg\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 -0.000000 Ir\n0.101087 0.806488 0.927706 O\n0.248431 0.322174 0.933863 O\n0.898913 0.306488 0.572293 O\n0.623028 0.069505 0.256256 O\n0.376972 0.930495 0.743744 O\n0.898913 0.193513 0.072293 O\n0.751568 0.677827 0.066136 O\n0.248431 0.177826 0.433863 O\n0.751568 0.822174 0.566136 O\n0.623028 0.430495 0.756256 O\n0.101087 0.693513 0.427706 O\n0.376972 0.569506 0.243744 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Ir",
"O"
],
"chemical_system": "Ir-Mg-Mn-O",
"density": 6.616422594112891,
"density_atomic": 0.10170737501532795,
"volume": 196.6425738250139,
"volume_molar": 5.9210462949146265,
"formula_full": "Mg4 Mn2 Ir2 O12",
"formula_reduced": "Mg2MnIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3925037441379318,
"spacegroup": 14
},
{
"id": "jvasp-58166",
"created_at": "2022-09-04T14:37:05.838004Z",
"updated_at": "2022-09-04T14:37:05.838024Z",
"structure_string": "Ti2 Zn4 Ir2 O12\n1.0\n0.000000 5.216214 0.002027\n5.226876 0.000000 0.000000\n0.000000 -5.178035 -7.630239\nTi Zn Ir O\n2 4 2 12\ndirect\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.259828 0.970313 0.251027 Zn\n0.740171 0.470313 0.248973 Zn\n0.259827 0.529688 0.751027 Zn\n0.740170 0.029687 0.748973 Zn\n0.499999 0.500000 0.500000 Ir\n0.499999 0.000000 -0.000000 Ir\n0.105812 0.819479 0.934365 O\n0.262913 0.327309 0.939761 O\n0.894186 0.319479 0.565635 O\n0.634053 0.081497 0.250492 O\n0.365945 0.918504 0.749507 O\n0.894186 0.180521 0.065635 O\n0.737085 0.672692 0.060239 O\n0.262914 0.172691 0.439761 O\n0.737084 0.827310 0.560239 O\n0.634052 0.418504 0.750492 O\n0.105812 0.680522 0.434365 O\n0.365946 0.581497 0.249507 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ti",
"Zn",
"Ir",
"O"
],
"chemical_system": "Ir-O-Ti-Zn",
"density": 7.455560216247226,
"density_atomic": 0.09616317614798586,
"volume": 207.979819314848,
"volume_molar": 6.262418735766906,
"formula_full": "Ti2 Zn4 Ir2 O12",
"formula_reduced": "TiZn2IrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.190034123333333,
"spacegroup": 14
},
{
"id": "jvasp-12127",
"created_at": "2022-09-04T14:36:54.320021Z",
"updated_at": "2022-09-04T14:36:54.320051Z",
"structure_string": "V4 O4 F12\n1.0\n5.097471 0.000000 0.000000\n0.000000 5.561805 -0.108202\n0.000000 0.035944 9.395217\nV O F\n4 4 12\ndirect\n0.913550 0.673918 0.376097 V\n0.586449 0.673917 0.876097 V\n0.413550 0.326081 0.123904 V\n0.086450 0.326081 0.623904 V\n0.337361 0.198369 0.557977 O\n0.837361 0.801629 0.942024 O\n0.162639 0.198369 0.057977 O\n0.662638 0.801630 0.442024 O\n0.790948 0.547192 0.211956 F\n0.603720 0.088297 0.185907 F\n0.365572 0.653599 0.044531 F\n0.634428 0.346400 0.955469 F\n0.709052 0.547191 0.711956 F\n0.896280 0.088297 0.685908 F\n0.209052 0.452807 0.788045 F\n0.290948 0.452807 0.288044 F\n0.865572 0.346400 0.455469 F\n0.103720 0.911701 0.314093 F\n0.134428 0.653598 0.544531 F\n0.396280 0.911701 0.814093 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.0902761362461644,
"density_atomic": 0.07507932089460466,
"volume": 266.384934782185,
"volume_molar": 8.02103786800869,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8014717094999999,
"spacegroup": 14
},
{
"id": "jvasp-55520",
"created_at": "2022-09-04T14:37:00.051664Z",
"updated_at": "2022-09-04T14:37:00.051680Z",
"structure_string": "Ca4 Pb4 O12\n1.0\n5.712273 0.000000 0.000000\n0.000000 5.971596 0.000000\n0.000000 0.000000 8.253439\nCa Pb O\n4 4 12\ndirect\n0.980947 0.062135 0.250000 Ca\n0.480947 0.437865 0.750000 Ca\n0.519053 0.562136 0.250000 Ca\n0.019053 0.937865 0.750000 Ca\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.632004 0.063670 0.750000 O\n0.132004 0.436330 0.250000 O\n0.688965 0.305680 0.069307 O\n0.188965 0.194320 0.930693 O\n0.811034 0.805681 0.430693 O\n0.188965 0.194320 0.569307 O\n0.311034 0.694320 0.930693 O\n0.811034 0.805681 0.069307 O\n0.367995 0.936330 0.250000 O\n0.688965 0.305680 0.430693 O\n0.311034 0.694320 0.569307 O\n0.867995 0.563671 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"O"
],
"chemical_system": "Ca-O-Pb",
"density": 6.966316673858876,
"density_atomic": 0.07103880977066712,
"volume": 281.5362484896005,
"volume_molar": 8.477254587233558,
"formula_full": "Ca4 Pb4 O12",
"formula_reduced": "CaPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1296833093333332,
"spacegroup": 62
},
{
"id": "jvasp-50262",
"created_at": "2022-09-04T14:36:35.866619Z",
"updated_at": "2022-09-04T14:36:35.866642Z",
"structure_string": "Li2 Bi2 B4 O12\n1.0\n0.000000 4.590261 0.000841\n5.889940 0.000000 0.000000\n0.000000 -4.207652 -8.042395\nLi Bi B O\n2 2 4 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Bi\n-0.000000 0.000000 0.500000 Bi\n0.733689 0.136069 0.741231 B\n0.266311 0.636069 0.758768 B\n0.733689 0.363931 0.241232 B\n0.266311 0.863931 0.258768 B\n0.544648 0.813050 0.405535 O\n0.455352 0.313050 0.094465 O\n0.748081 0.315391 0.394200 O\n0.009780 0.047647 0.739075 O\n0.990220 0.952353 0.260925 O\n0.748081 0.184609 0.894199 O\n0.544648 0.686950 0.905534 O\n0.455352 0.186950 0.594465 O\n0.251919 0.815391 0.105800 O\n0.009780 0.452353 0.239075 O\n0.251919 0.684609 0.605800 O\n0.990220 0.547647 0.760924 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-Li-O",
"density": 5.0948891328284756,
"density_atomic": 0.09198944031593982,
"volume": 217.4162592065953,
"volume_molar": 6.546556582273815,
"formula_full": "Li2 Bi2 B4 O12",
"formula_reduced": "LiBi(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.8041650466666668,
"spacegroup": 14
},
{
"id": "jvasp-45368",
"created_at": "2022-09-04T14:36:52.573202Z",
"updated_at": "2022-09-04T14:36:52.573223Z",
"structure_string": "Hg4 Se4 O12\n1.0\n6.083263 0.000000 0.000000\n0.000000 6.158976 0.000000\n0.000000 0.000000 8.322778\nHg Se O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.499844 0.943569 0.750000 Se\n-0.000156 0.556432 0.250000 Se\n0.000156 0.443569 0.750000 Se\n0.500156 0.056432 0.250000 Se\n0.738416 0.354954 0.750000 O\n0.238416 0.145046 0.250000 O\n0.620155 0.198874 0.086781 O\n0.120155 0.301126 0.913219 O\n0.879844 0.698875 0.413219 O\n0.120155 0.301126 0.586781 O\n0.379845 0.801126 0.913219 O\n0.879844 0.698875 0.086781 O\n0.261583 0.645047 0.250000 O\n0.620155 0.198874 0.413219 O\n0.379845 0.801126 0.586781 O\n0.761583 0.854954 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.977034826515268,
"density_atomic": 0.0641381723777099,
"volume": 311.8267836230184,
"volume_molar": 9.389323918579398,
"formula_full": "Hg4 Se4 O12",
"formula_reduced": "HgSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3515636933333337,
"spacegroup": 62
},
{
"id": "jvasp-52229",
"created_at": "2022-09-04T14:37:00.953980Z",
"updated_at": "2022-09-04T14:37:00.953991Z",
"structure_string": "Li6 Cu2 F12\n1.0\n5.893511 0.002436 0.002494\n-0.129821 5.892082 0.002494\n-0.129821 -0.132767 5.890587\nLi Cu F\n6 2 12\ndirect\n0.066756 0.249200 0.556501 Li\n0.249200 0.556501 0.066755 Li\n0.443499 0.933244 0.750799 Li\n0.556501 0.066756 0.249200 Li\n0.750800 0.443499 0.933244 Li\n0.933245 0.750800 0.443498 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.806630 0.452669 0.599448 F\n0.694843 0.076607 0.917740 F\n0.599448 0.806629 0.452668 F\n0.547331 0.400552 0.193370 F\n0.452669 0.599448 0.806629 F\n0.082261 0.305157 0.923393 F\n0.305158 0.923393 0.082260 F\n0.193371 0.547331 0.400552 F\n0.917740 0.694843 0.076606 F\n0.076608 0.917739 0.694842 F\n0.400552 0.193370 0.547331 F\n0.923393 0.082261 0.305157 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.220462359851523,
"density_atomic": 0.0977724059095744,
"volume": 204.55669280039157,
"volume_molar": 6.159345987220183,
"formula_full": "Li6 Cu2 F12",
"formula_reduced": "Li3CuF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0844670847499999,
"spacegroup": 148
},
{
"id": "jvasp-18961",
"created_at": "2022-09-04T14:36:54.151770Z",
"updated_at": "2022-09-04T14:36:54.151786Z",
"structure_string": "Dy8 S12\n1.0\n3.861515 0.000000 0.000000\n-0.000000 10.437796 0.000000\n0.000000 0.000000 10.631410\nDy S\n8 12\ndirect\n0.250000 0.996715 0.807381 Dy\n0.750001 0.003285 0.192619 Dy\n0.750001 0.496715 0.692619 Dy\n0.250000 0.503285 0.307381 Dy\n0.250000 0.186908 0.489267 Dy\n0.750001 0.813092 0.510733 Dy\n0.750001 0.686909 0.010733 Dy\n0.250000 0.313092 0.989267 Dy\n0.750001 0.126353 0.954165 S\n0.250000 0.873647 0.045835 S\n0.250000 0.555726 0.880657 S\n0.750001 0.444275 0.119343 S\n0.750001 0.055725 0.619343 S\n0.750001 0.696973 0.272351 S\n0.250000 0.196973 0.227649 S\n0.750001 0.803028 0.772351 S\n0.750001 0.373647 0.454165 S\n0.250000 0.303028 0.727649 S\n0.250000 0.944275 0.380657 S\n0.250000 0.626353 0.545835 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Dy",
"S"
],
"chemical_system": "Dy-S",
"density": 6.528823048420671,
"density_atomic": 0.04667373948920199,
"volume": 428.5064839217997,
"volume_molar": 12.902631813748773,
"formula_full": "Dy8 S12",
"formula_reduced": "Dy2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3604425999999998,
"spacegroup": 62
},
{
"id": "jvasp-55618",
"created_at": "2022-09-04T14:36:44.956199Z",
"updated_at": "2022-09-04T14:36:44.956222Z",
"structure_string": "Sr4 Lu2 Bi2 O12\n1.0\n0.000000 5.891334 0.002603\n5.998500 0.000000 0.000000\n0.000000 -5.881086 -8.384524\nSr Lu Bi O\n4 2 2 12\ndirect\n0.239679 0.542923 0.250078 Sr\n0.760320 0.042923 0.249922 Sr\n0.239679 0.957077 0.750078 Sr\n0.760319 0.457077 0.749922 Sr\n0.500000 0.500000 0.000000 Lu\n0.499999 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Bi\n-0.000001 0.500000 0.500000 Bi\n0.663103 0.470570 0.252579 O\n0.336897 0.970570 0.247421 O\n0.155035 0.709570 0.952312 O\n0.844963 0.209570 0.547688 O\n0.844963 0.290430 0.047688 O\n0.755774 0.794502 0.047033 O\n0.244224 0.205498 0.952967 O\n0.755774 0.705498 0.547033 O\n0.663102 0.029430 0.752579 O\n0.244225 0.294502 0.452967 O\n0.155036 0.790430 0.452312 O\n0.336896 0.529430 0.747421 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Lu",
"Bi",
"O"
],
"chemical_system": "Bi-Lu-O-Sr",
"density": 7.3458513803587575,
"density_atomic": 0.06751960446801089,
"volume": 296.21026600467576,
"volume_molar": 8.919099582186,
"formula_full": "Sr4 Lu2 Bi2 O12",
"formula_reduced": "Sr2LuBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.594471367,
"spacegroup": 14
},
{
"id": "jvasp-101931",
"created_at": "2022-09-04T14:37:00.967049Z",
"updated_at": "2022-09-04T14:37:00.967081Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.604879 0.024797 1.885982\n2.664707 6.368579 -0.134467\n-0.195111 -0.162247 6.041826\nMg H C O\n2 4 6 8\ndirect\n0.523892 0.191799 0.526973 Mg\n0.900513 0.103082 0.967648 Mg\n0.307871 0.929708 0.339596 H\n0.064651 0.644893 0.684660 H\n0.469644 0.638365 0.327636 H\n0.805565 0.658849 -0.028353 H\n0.827625 0.651973 0.782604 C\n0.294337 0.777393 0.311748 C\n0.588170 0.857077 0.779716 C\n0.809784 0.447043 0.709269 C\n0.185043 0.380557 0.197800 C\n0.056235 0.774628 0.260828 C\n0.445844 0.328681 0.223986 O\n0.002026 0.588306 0.221888 O\n0.583282 0.435369 0.671259 O\n0.070415 0.254793 0.158707 O\n0.328924 0.872056 0.783040 O\n0.825596 0.940631 0.248105 O\n0.665686 0.018818 0.773359 O\n0.046035 0.277791 0.695817 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 2.3545740822743895,
"density_atomic": 0.11222407177081697,
"volume": 178.21488460019367,
"volume_molar": 5.366175602947614,
"formula_full": "Mg2 H4 C6 O8",
"formula_reduced": "MgH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.720267305,
"spacegroup": 1
}
]
}