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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1062",
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"results": [
{
"id": "jvasp-98497",
"created_at": "2022-09-04T14:38:10.561540Z",
"updated_at": "2022-09-04T14:38:10.561560Z",
"structure_string": "Ca4 P4 Pt4\n1.0\n4.318346 0.000000 0.000000\n0.000000 6.591569 0.000000\n0.000000 0.000000 8.405725\nCa P Pt\n4 4 4\ndirect\n0.000000 0.864549 0.127384 Ca\n0.000000 0.931878 0.585222 Ca\n0.000000 0.431878 0.414778 Ca\n0.000000 0.364549 0.872615 Ca\n0.500000 0.169288 0.071033 P\n0.500000 0.747480 0.383572 P\n0.500000 0.669288 0.928967 P\n0.500000 0.247480 0.616427 P\n0.500000 0.116483 0.342592 Pt\n0.500000 0.496123 0.169449 Pt\n0.500000 0.996123 0.830551 Pt\n0.500000 0.616483 0.657408 Pt\n",
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"formula_full": "Ca4 P4 Pt4",
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{
"id": "jvasp-115723",
"created_at": "2022-09-04T14:38:44.832397Z",
"updated_at": "2022-09-04T14:38:44.832421Z",
"structure_string": "Rb3 S1 Br1\n1.0\n6.208092 0.000000 -0.000000\n-0.000000 6.208092 0.000000\n-0.000000 -0.000000 6.208092\nRb S Br\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 Br\n",
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"density": 2.5565938993146204,
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"volume": 239.26238790649828,
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"formula_full": "Rb3 S1 Br1",
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"spacegroup": 221
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{
"id": "jvasp-30044",
"created_at": "2022-09-04T14:38:09.427117Z",
"updated_at": "2022-09-04T14:38:09.427142Z",
"structure_string": "Yb2 Br6\n1.0\n5.824728 -0.410536 3.326304\n1.736357 5.575039 3.326303\n-0.601044 -0.410535 6.680606\nYb Br\n2 6\ndirect\n0.196377 0.196377 0.196377 Yb\n0.803625 0.803622 0.803622 Yb\n0.124997 0.749698 0.371889 Br\n0.371890 0.124995 0.749698 Br\n0.749699 0.371889 0.124996 Br\n0.250303 0.628110 0.875004 Br\n0.628112 0.875003 0.250301 Br\n0.875005 0.250301 0.628110 Br\n",
"nsites": 8,
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"elements": [
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"Br"
],
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"density": 5.729454212558568,
"density_atomic": 0.0334375894076117,
"volume": 239.25169672006587,
"volume_molar": 18.010092433963337,
"formula_full": "Yb2 Br6",
"formula_reduced": "YbBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1413185262499999,
"spacegroup": 148
},
{
"id": "jvasp-61347",
"created_at": "2022-09-04T14:36:00.249186Z",
"updated_at": "2022-09-04T14:36:00.249205Z",
"structure_string": "Er4 As4 Pt4\n1.0\n2.145836 -3.716696 0.000000\n2.145836 3.716696 -0.000000\n-0.000000 -0.000000 14.999142\nEr As Pt\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.666668 0.333334 0.613586 As\n0.333334 0.666668 0.113586 As\n0.333334 0.666668 0.386414 As\n0.666668 0.333334 0.886414 As\n0.666668 0.333334 0.138530 Pt\n0.333334 0.666668 0.638530 Pt\n0.333334 0.666668 0.861470 Pt\n0.666668 0.333334 0.361470 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"As",
"Pt"
],
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"density": 12.139573483856937,
"density_atomic": 0.05015696695644744,
"volume": 239.24891651482642,
"volume_molar": 12.006588766081444,
"formula_full": "Er4 As4 Pt4",
"formula_reduced": "ErAsPt",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-117135",
"created_at": "2022-09-04T14:38:48.601790Z",
"updated_at": "2022-09-04T14:38:48.601815Z",
"structure_string": "Re2 Cl5 O4\n1.0\n5.093123 -0.221889 -2.184530\n-0.940923 5.651314 -1.650371\n-0.730905 0.062338 8.674989\nRe Cl O\n2 5 4\ndirect\n0.969734 0.461405 0.437850 Re\n0.903692 -0.002188 -0.001246 Re\n0.249384 -0.033826 0.272382 Cl\n0.519034 0.109850 0.799428 Cl\n0.597521 0.725630 0.006962 Cl\n0.177187 0.362613 0.071934 Cl\n-0.096257 0.296987 0.619407 Cl\n0.833158 0.711150 0.433318 O\n0.323054 0.543432 0.519168 O\n0.806049 0.256019 0.214064 O\n-0.019663 0.825422 0.847630 O\n",
"nsites": 11,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-O-Re",
"density": 4.25945019237295,
"density_atomic": 0.045978793211762944,
"volume": 239.24072885814292,
"volume_molar": 13.097648588261189,
"formula_full": "Re2 Cl5 O4",
"formula_reduced": "Re2Cl5O4",
"formula_anonymous": "A2B4C5",
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"spacegroup": 1
},
{
"id": "jvasp-91354",
"created_at": "2022-09-04T14:35:45.741531Z",
"updated_at": "2022-09-04T14:35:45.741556Z",
"structure_string": "V4 Cu3 S8\n1.0\n5.878234 0.000000 3.001727\n2.157070 5.542904 3.032335\n-0.033149 -0.011112 7.321404\nV Cu S\n4 3 8\ndirect\n0.014706 -0.031075 0.001663 V\n0.527530 0.952738 0.992201 V\n0.515135 0.547773 0.989233 V\n0.947857 0.547773 0.989233 V\n0.333071 0.909290 0.424566 Cu\n0.887114 0.333644 0.434119 Cu\n0.345122 0.333644 0.434119 Cu\n0.232137 0.240148 0.788776 S\n0.738937 0.240148 0.788777 S\n0.246230 0.755996 0.245514 S\n0.752258 0.755996 0.245515 S\n0.244107 0.740247 0.771535 S\n0.270457 0.283242 0.175844 S\n0.753261 0.764652 0.728825 S\n0.760072 0.257279 0.222577 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"V",
"Cu",
"S"
],
"chemical_system": "Cu-S-V",
"density": 4.518234894867009,
"density_atomic": 0.06270189730222561,
"volume": 239.22721074450763,
"volume_molar": 9.60439957817073,
"formula_full": "V4 Cu3 S8",
"formula_reduced": "V4Cu3S8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.5400812100000003,
"spacegroup": 8
},
{
"id": "jvasp-20161",
"created_at": "2022-09-04T14:38:13.634678Z",
"updated_at": "2022-09-04T14:38:13.634694Z",
"structure_string": "Al6 Pt10\n1.0\n4.003127 0.000000 0.000000\n0.000000 5.473913 0.000000\n0.000000 0.000000 10.917031\nAl Pt\n6 10\ndirect\n0.500000 0.179137 0.640136 Al\n0.500000 0.820862 0.359863 Al\n0.500000 0.679137 0.859863 Al\n0.500000 0.320863 0.140136 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.292428 0.393099 Pt\n0.500000 0.707572 0.606901 Pt\n0.500000 0.792427 0.106901 Pt\n0.500000 0.207572 0.893099 Pt\n0.000000 0.426010 0.729348 Pt\n0.000000 0.573989 0.270651 Pt\n0.000000 0.926010 0.770651 Pt\n0.000000 0.073990 0.229348 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Al",
"Pt"
],
"chemical_system": "Al-Pt",
"density": 14.665306233178969,
"density_atomic": 0.06688337502735914,
"volume": 239.22237766044375,
"volume_molar": 9.0039426950817,
"formula_full": "Al6 Pt10",
"formula_reduced": "Al3Pt5",
"formula_anonymous": "A3B5",
"energy_above_hull": 2.534150675,
"spacegroup": 55
},
{
"id": "jvasp-64025",
"created_at": "2022-09-04T14:36:04.171729Z",
"updated_at": "2022-09-04T14:36:04.171754Z",
"structure_string": "Ba4 V1 Sn1\n1.0\n0.000000 4.927021 4.927021\n4.927021 -0.000000 4.927021\n4.927021 4.927021 0.000000\nBa V Sn\n4 1 1\ndirect\n0.126175 0.624608 0.624608 Ba\n0.624608 0.624608 0.624608 Ba\n0.624608 0.126175 0.624608 Ba\n0.624608 0.624608 0.126175 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
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"elements": [
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"V",
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],
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"density": 4.990801402466038,
"density_atomic": 0.02508233792966838,
"volume": 239.21215067049084,
"volume_molar": 24.00948738066707,
"formula_full": "Ba4 V1 Sn1",
"formula_reduced": "Ba4VSn",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-50873",
"created_at": "2022-09-04T14:36:08.276010Z",
"updated_at": "2022-09-04T14:36:08.276027Z",
"structure_string": "Li4 H4 Se2 O10\n1.0\n0.000000 5.828242 -0.076199\n5.048354 0.000000 0.000000\n0.000000 -2.035963 -8.103081\nLi H Se O\n4 4 2 10\ndirect\n0.322897 0.962099 -0.003422 Li\n0.860234 0.458838 0.421623 Li\n0.139767 0.958838 0.578377 Li\n0.677103 0.462100 0.003423 Li\n0.331511 0.911484 0.351263 H\n0.513842 0.598972 0.511965 H\n0.486158 0.098972 0.488035 H\n0.668489 0.411485 0.648738 H\n0.878533 0.961672 0.202713 Se\n0.121467 0.461672 0.797287 Se\n0.400506 0.926547 0.471574 O\n0.134932 0.894556 0.155164 O\n0.599495 0.426548 0.528426 O\n0.652657 0.828754 0.066310 O\n0.168034 0.787949 0.789558 O\n0.110363 0.338067 0.609786 O\n0.889637 0.838067 0.390214 O\n0.831966 0.287949 0.210442 O\n0.347343 0.328755 0.933690 O\n0.865068 0.394556 0.844836 O\n",
"nsites": 20,
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"elements": [
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"H",
"Se",
"O"
],
"chemical_system": "H-Li-O-Se",
"density": 2.427699825635154,
"density_atomic": 0.08361190764624182,
"volume": 239.2003790251873,
"volume_molar": 7.202491761675146,
"formula_full": "Li4 H4 Se2 O10",
"formula_reduced": "Li2H2SeO5",
"formula_anonymous": "AB2C2D5",
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"spacegroup": 4
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{
"id": "jvasp-85252",
"created_at": "2022-09-04T14:37:16.363657Z",
"updated_at": "2022-09-04T14:37:16.363682Z",
"structure_string": "Tb2 Fe17\n1.0\n6.208488 0.035807 0.801177\n0.708975 6.167977 0.801177\n0.039925 0.035807 6.259841\nTb Fe\n2 17\ndirect\n0.655654 0.655655 0.655654 Tb\n0.344346 0.344347 0.344346 Tb\n0.295676 0.704323 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.846779 0.336502 0.336502 Fe\n0.336501 0.846780 0.336502 Fe\n0.663498 0.663500 0.153221 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.295678 0.704323 Fe\n0.336502 0.336502 0.846779 Fe\n0.295678 0.000001 0.704323 Fe\n-0.000000 0.704323 0.295677 Fe\n0.704323 0.295678 0.000000 Fe\n0.704323 0.000001 0.295677 Fe\n0.909537 0.909538 0.909538 Fe\n0.663499 0.153222 0.663499 Fe\n0.090463 0.090463 0.090463 Fe\n0.500000 0.000000 0.000000 Fe\n0.153221 0.663500 0.663499 Fe\n",
"nsites": 19,
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"volume": 239.20033702886175,
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"formula_full": "Tb2 Fe17",
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{
"id": "jvasp-88947",
"created_at": "2022-09-04T14:35:41.399646Z",
"updated_at": "2022-09-04T14:35:41.399673Z",
"structure_string": "Ca4 Zn8\n1.0\n5.587134 0.000000 0.000000\n-2.793568 4.838600 -0.000000\n-0.000000 -0.000000 8.848087\nCa Zn\n4 8\ndirect\n0.333332 0.666667 0.058431 Ca\n0.666666 0.333333 0.558432 Ca\n0.666666 0.333333 0.941569 Ca\n0.333332 0.666667 0.441569 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.832503 0.665007 0.250000 Zn\n0.167496 0.832504 0.750000 Zn\n0.665007 0.832504 0.750000 Zn\n0.334992 0.167496 0.250000 Zn\n0.832503 0.167496 0.250000 Zn\n0.167496 0.334993 0.750000 Zn\n",
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"elements": [
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],
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"volume": 239.19835730246695,
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"formula_full": "Ca4 Zn8",
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"spacegroup": 194
},
{
"id": "jvasp-40738",
"created_at": "2022-09-04T14:38:31.613641Z",
"updated_at": "2022-09-04T14:38:31.613675Z",
"structure_string": "Li2 Mn1 V4 Ni1 O12\n1.0\n6.633883 -0.261931 -0.048871\n-0.966885 6.568269 0.048871\n-1.466715 1.318020 5.540199\nLi Mn V Ni O\n2 1 4 1 12\ndirect\n0.276802 0.276802 0.250000 Li\n0.716947 0.716947 0.750000 Li\n0.073753 0.073752 0.750000 Mn\n0.201034 0.613244 0.774872 V\n0.388359 0.804742 0.270024 V\n0.613244 0.201033 0.725129 V\n0.804742 0.388358 0.229976 V\n0.924029 0.924029 0.250000 Ni\n0.781662 0.009725 0.821951 O\n0.605088 0.324350 0.411763 O\n0.639842 0.914660 0.277898 O\n0.684306 0.393482 0.911544 O\n0.324351 0.605088 0.088237 O\n0.081326 0.364042 0.773854 O\n0.393483 0.684305 0.588457 O\n0.210676 0.991940 0.164045 O\n0.914660 0.639842 0.222103 O\n0.009726 0.781662 0.678050 O\n0.364042 0.081325 0.726146 O\n0.991940 0.210676 0.335956 O\n",
"nsites": 20,
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"elements": [
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"V",
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"O"
],
"chemical_system": "Li-Mn-Ni-O-V",
"density": 3.632832098263893,
"density_atomic": 0.08361775909116559,
"volume": 239.18364014269605,
"volume_molar": 7.201987742142511,
"formula_full": "Li2 Mn1 V4 Ni1 O12",
"formula_reduced": "Li2MnV4NiO12",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 3.240115922068965,
"spacegroup": 5
}
]
}