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=created_at&page=4015",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4013",
"results": [
{
"id": "jvasp-26017",
"created_at": "2022-09-04T14:38:35.184401Z",
"updated_at": "2022-09-04T14:38:35.184432Z",
"structure_string": "Ba6 Er2 Ru4 O18\n1.0\n2.954868 -5.117982 -0.000000\n2.954868 5.117982 0.000000\n0.000000 0.000000 14.445867\nBa Er Ru O\n6 2 4 18\ndirect\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.333333 0.666667 0.093654 Ba\n0.666667 0.333333 0.593654 Ba\n0.666667 0.333333 0.906347 Ba\n0.333333 0.666667 0.406346 Ba\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.333333 0.666667 0.664046 Ru\n0.666667 0.333333 0.164046 Ru\n0.666667 0.333333 0.335954 Ru\n0.333333 0.666667 0.835954 Ru\n0.648496 0.824248 0.912503 O\n0.351505 0.175753 0.412503 O\n0.824247 0.175753 0.087497 O\n0.824248 0.648496 0.412503 O\n0.824247 0.175753 0.412503 O\n0.175753 0.351505 0.587498 O\n0.648496 0.824248 0.587498 O\n0.351505 0.175753 0.087497 O\n0.981582 0.490792 0.250000 O\n0.175753 0.824247 0.587498 O\n0.509209 0.490791 0.250000 O\n0.490792 0.981582 0.750000 O\n0.018419 0.509209 0.750000 O\n0.175753 0.824247 0.912503 O\n0.509209 0.018419 0.250000 O\n0.490791 0.509209 0.750000 O\n0.824248 0.648496 0.087497 O\n0.175753 0.351505 0.912503 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Ru",
"O"
],
"chemical_system": "Ba-Er-O-Ru",
"density": 7.0337385482263555,
"density_atomic": 0.0686611080870848,
"volume": 436.9285733336865,
"volume_molar": 8.770817902271475,
"formula_full": "Ba6 Er2 Ru4 O18",
"formula_reduced": "Ba3ErRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.427752694,
"spacegroup": 194
},
{
"id": "jvasp-59760",
"created_at": "2022-09-04T14:38:35.188201Z",
"updated_at": "2022-09-04T14:38:35.188230Z",
"structure_string": "Na1 Cu3 Ru4 O12\n1.0\n6.055469 0.000000 -2.140931\n-3.027734 5.244190 -2.140931\n-0.000000 -0.000000 6.422795\nNa Cu Ru O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 -0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n0.176280 0.865714 0.689435 O\n0.134286 0.310565 0.823720 O\n0.689435 0.176279 0.865714 O\n0.513156 0.689435 0.823721 O\n0.823721 0.134286 0.310565 O\n0.865715 0.689435 0.176280 O\n0.486844 0.310565 0.176279 O\n0.176280 0.486844 0.310565 O\n0.689436 0.823721 0.513156 O\n0.310566 0.823721 0.134286 O\n0.310565 0.176279 0.486844 O\n0.823721 0.513156 0.689435 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Cu",
"Ru",
"O"
],
"chemical_system": "Cu-Na-O-Ru",
"density": 6.593720559297618,
"density_atomic": 0.09805725507569193,
"volume": 203.96247054398663,
"volume_molar": 6.141453536866207,
"formula_full": "Na1 Cu3 Ru4 O12",
"formula_reduced": "NaCu3(RuO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7856107175000004,
"spacegroup": 204
},
{
"id": "jvasp-35949",
"created_at": "2022-09-04T14:38:35.188581Z",
"updated_at": "2022-09-04T14:38:35.188607Z",
"structure_string": "Zn2 In4 Se8\n1.0\n-5.634605 -5.634605 0.000000\n-5.634605 -0.000000 -5.634605\n0.000000 -5.634605 -5.634605\nZn In Se\n2 4 8\ndirect\n0.375000 0.375000 0.375000 Zn\n0.625001 0.625001 0.625001 Zn\n0.000000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.245789 0.245789 0.762633 Se\n0.245789 0.762633 0.245789 Se\n0.762633 0.245789 0.245789 Se\n0.245789 0.245789 0.245789 Se\n0.754212 0.754212 0.237368 Se\n0.754212 0.237368 0.754212 Se\n0.237368 0.754212 0.754212 Se\n0.754212 0.754212 0.754212 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"In",
"Se"
],
"chemical_system": "In-Se-Zn",
"density": 5.670457893407581,
"density_atomic": 0.03912979846237527,
"volume": 357.7835958818319,
"volume_molar": 15.390165542995343,
"formula_full": "Zn2 In4 Se8",
"formula_reduced": "Zn(InSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4120748295238094,
"spacegroup": 227
},
{
"id": "jvasp-56749",
"created_at": "2022-09-04T14:38:35.191735Z",
"updated_at": "2022-09-04T14:38:35.191765Z",
"structure_string": "Tm1 Cr2 Si2\n1.0\n3.614320 0.000000 -1.241114\n-0.426184 3.589104 -1.241114\n0.033908 0.038172 5.982035\nTm Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.250001 0.749999 0.500000 Cr\n0.750001 0.249999 0.500000 Cr\n0.385904 0.385902 0.771804 Si\n0.614098 0.614096 0.228196 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Cr",
"Si"
],
"chemical_system": "Cr-Si-Tm",
"density": 7.011316192266866,
"density_atomic": 0.06414990175293342,
"volume": 77.94244205169592,
"volume_molar": 9.38760714426912,
"formula_full": "Tm1 Cr2 Si2",
"formula_reduced": "Tm(CrSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5851272499999998,
"spacegroup": 139
},
{
"id": "jvasp-118599",
"created_at": "2022-09-04T14:38:35.191829Z",
"updated_at": "2022-09-04T14:38:35.191857Z",
"structure_string": "Li2 Al1 O2\n1.0\n2.828903 -0.000000 -0.000000\n-1.414452 2.449902 -0.000000\n0.000000 -0.000000 6.762808\nLi Al O\n2 1 2\ndirect\n0.666667 0.333333 0.333226 Li\n0.333333 0.666666 0.666775 Li\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.852098 O\n0.333333 0.666666 0.147903 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Al",
"O"
],
"chemical_system": "Al-Li-O",
"density": 2.5814182588511736,
"density_atomic": 0.1066783225690215,
"volume": 46.869878336950514,
"volume_molar": 5.645140094983813,
"formula_full": "Li2 Al1 O2",
"formula_reduced": "Li2AlO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.23318596,
"spacegroup": 164
},
{
"id": "jvasp-56603",
"created_at": "2022-09-04T14:38:35.192396Z",
"updated_at": "2022-09-04T14:38:35.192413Z",
"structure_string": "Zr10 Al8\n1.0\n4.240078 -7.344030 -0.000000\n4.240078 7.344030 0.000000\n-0.000000 0.000000 5.799631\nZr Al\n10 8\ndirect\n0.710483 0.000000 0.750000 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.000000 0.289517 0.250000 Zr\n0.289517 0.000000 0.250000 Zr\n0.666667 0.333333 0.000000 Zr\n0.000000 0.710483 0.750000 Zr\n0.710483 0.710483 0.250000 Zr\n0.289517 0.289517 0.750000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.500000 Al\n0.370290 0.370290 0.250000 Al\n0.629710 0.000000 0.250000 Al\n0.000000 0.629710 0.250000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.370290 0.750000 Al\n0.370290 0.000000 0.750000 Al\n0.629710 0.629710 0.750000 Al\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Zr",
"Al"
],
"chemical_system": "Al-Zr",
"density": 5.186269602393206,
"density_atomic": 0.04983493070357674,
"volume": 361.1924356244386,
"volume_molar": 12.084176048764487,
"formula_full": "Zr10 Al8",
"formula_reduced": "Zr5Al4",
"formula_anonymous": "A4B5",
"energy_above_hull": 3.676188188888889,
"spacegroup": 193
},
{
"id": "jvasp-45301",
"created_at": "2022-09-04T14:38:35.194622Z",
"updated_at": "2022-09-04T14:38:35.194645Z",
"structure_string": "Rb6 Ti2 F14\n1.0\n8.080440 0.000000 0.000000\n0.000000 8.080440 0.000000\n0.000000 0.000000 5.982473\nRb Ti F\n6 2 14\ndirect\n0.188986 0.688986 0.500000 Rb\n0.688986 0.811014 0.500000 Rb\n0.311014 0.188986 0.500000 Rb\n0.811014 0.311014 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.334787 0.165213 0.000000 F\n0.834787 0.334787 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.614611 0.114611 0.227568 F\n0.114611 0.385389 0.227568 F\n0.114611 0.385389 0.772432 F\n0.385389 0.885389 0.227568 F\n0.885389 0.614611 0.772432 F\n0.665213 0.834787 0.000000 F\n0.614611 0.114611 0.772432 F\n0.385389 0.885389 0.772432 F\n0.885389 0.614611 0.227568 F\n0.165213 0.665213 0.000000 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Ti",
"F"
],
"chemical_system": "F-Rb-Ti",
"density": 3.717639760765164,
"density_atomic": 0.056321201874417345,
"volume": 390.6166642014259,
"volume_molar": 10.692493341012,
"formula_full": "Rb6 Ti2 F14",
"formula_reduced": "Rb3TiF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-30681",
"created_at": "2022-09-04T14:38:35.198864Z",
"updated_at": "2022-09-04T14:38:35.198895Z",
"structure_string": "Nb4 Mo2 O16\n1.0\n5.062076 -0.000673 -0.030411\n-0.010287 5.693233 -1.749230\n-0.019848 0.001966 10.110073\nNb Mo O\n4 2 16\ndirect\n0.756499 0.327471 0.276506 Nb\n0.744375 0.051240 0.721860 Nb\n0.244304 0.673556 0.721868 Nb\n0.256429 0.949786 0.276517 Nb\n0.750418 0.673802 0.999150 Mo\n0.250387 0.327228 0.999223 Mo\n0.883828 0.588099 0.384411 O\n0.616876 0.203980 0.613811 O\n0.116968 0.412930 0.613966 O\n0.383918 0.797045 0.384567 O\n0.081512 0.926204 0.659743 O\n0.419204 0.264384 0.338470 O\n0.067192 0.665263 0.106778 O\n0.567084 0.442912 0.106797 O\n0.933610 0.335770 0.891596 O\n0.919290 0.074823 0.338631 O\n0.584794 0.910695 0.116892 O\n0.916148 0.793590 0.881529 O\n0.416008 0.090328 0.881484 O\n0.084652 0.207446 0.116846 O\n0.433718 0.558116 0.891577 O\n0.581598 0.736644 0.659904 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Mo",
"O"
],
"chemical_system": "Mo-Nb-O",
"density": 4.670176514354813,
"density_atomic": 0.07550228288758548,
"volume": 291.3819179845934,
"volume_molar": 7.976104204645439,
"formula_full": "Nb4 Mo2 O16",
"formula_reduced": "Nb2MoO8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.7793657,
"spacegroup": 15
},
{
"id": "jvasp-12534",
"created_at": "2022-09-04T14:38:35.202570Z",
"updated_at": "2022-09-04T14:38:35.202595Z",
"structure_string": "Tl10 Se4 I2\n1.0\n7.707812 0.000000 -4.170856\n-2.256936 7.369981 -4.170856\n0.024136 0.032634 9.252116\nTl Se I\n10 4 2\ndirect\n0.994923 0.783224 0.278148 Tl\n0.783224 0.283225 0.278148 Tl\n0.494923 0.994923 0.278148 Tl\n0.216775 0.716775 0.721851 Tl\n0.283224 0.494923 0.278149 Tl\n0.005077 0.216775 0.721851 Tl\n0.716775 0.505076 0.721851 Tl\n0.505077 0.005076 0.721851 Tl\n0.500000 0.500000 -0.000001 Tl\n0.000000 0.000000 0.000000 Tl\n0.839204 0.339204 -0.000001 Se\n0.660795 0.839204 -0.000001 Se\n0.339204 0.160796 -0.000000 Se\n0.160795 0.660795 -0.000001 Se\n0.750000 0.750000 0.499999 I\n0.250000 0.250000 0.500000 I\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Se",
"I"
],
"chemical_system": "I-Se-Tl",
"density": 8.22431423057922,
"density_atomic": 0.03032152758974717,
"volume": 527.6778998895225,
"volume_molar": 19.86094118172433,
"formula_full": "Tl10 Se4 I2",
"formula_reduced": "Tl5Se2I",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-59502",
"created_at": "2022-09-04T14:38:35.203973Z",
"updated_at": "2022-09-04T14:38:35.204000Z",
"structure_string": "Ta10 Ge6\n1.0\n3.825390 -6.625770 -0.000000\n3.825390 6.625770 -0.000000\n-0.000000 -0.000000 5.338236\nTa Ge\n10 6\ndirect\n0.235453 0.000000 0.250000 Ta\n0.764547 0.000000 0.750001 Ta\n0.235453 0.235453 0.750001 Ta\n0.000000 0.235453 0.250000 Ta\n0.764547 0.764547 0.250000 Ta\n0.000000 0.764547 0.750001 Ta\n0.333333 0.666667 0.500000 Ta\n0.666667 0.333333 0.000000 Ta\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.000000 Ta\n0.000000 0.603054 0.250000 Ge\n0.603054 0.603054 0.750001 Ge\n0.396946 0.000000 0.750001 Ge\n0.603054 0.000000 0.250000 Ge\n0.396946 0.396946 0.250000 Ge\n0.000000 0.396946 0.750001 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Ge"
],
"chemical_system": "Ge-Ta",
"density": 13.778034578235253,
"density_atomic": 0.05912622378965783,
"volume": 270.6075066948326,
"volume_molar": 10.185228100180778,
"formula_full": "Ta10 Ge6",
"formula_reduced": "Ta5Ge3",
"formula_anonymous": "A3B5",
"energy_above_hull": 5.21176048125,
"spacegroup": 193
},
{
"id": "jvasp-26182",
"created_at": "2022-09-04T14:38:35.206224Z",
"updated_at": "2022-09-04T14:38:35.206251Z",
"structure_string": "Mg2 Al4 Cl16\n1.0\n6.905396 -0.000000 3.082280\n3.133038 8.452078 2.257294\n-0.113730 -0.095098 9.531199\nMg Al Cl\n2 4 16\ndirect\n0.014179 0.750000 0.250000 Mg\n-0.014178 0.250000 0.750000 Mg\n0.347721 0.354539 0.464345 Al\n0.166605 0.145461 0.035655 Al\n0.652279 0.645462 0.535654 Al\n0.833396 0.854539 0.964345 Al\n0.297694 0.045989 0.814124 Cl\n0.157806 0.454011 0.685876 Cl\n0.837653 0.041940 0.777260 Cl\n0.656853 0.458059 0.722740 Cl\n0.162348 0.958060 0.222739 Cl\n0.343148 0.541941 0.277260 Cl\n0.143116 0.709009 0.970255 Cl\n0.177621 0.209009 0.470255 Cl\n0.856885 0.290991 0.029745 Cl\n0.842194 0.545989 0.314124 Cl\n0.673376 0.721732 0.949655 Cl\n0.344763 0.778268 0.550344 Cl\n0.326625 0.278268 0.050344 Cl\n0.655237 0.221732 0.449655 Cl\n0.822380 0.790991 0.529745 Cl\n0.702307 0.954012 0.185875 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-Mg",
"density": 2.1469099367821682,
"density_atomic": 0.03929871396226906,
"volume": 559.8147568167838,
"volume_molar": 15.324014841253826,
"formula_full": "Mg2 Al4 Cl16",
"formula_reduced": "Mg(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.211055199090909,
"spacegroup": 15
},
{
"id": "jvasp-26049",
"created_at": "2022-09-04T14:38:35.208070Z",
"updated_at": "2022-09-04T14:38:35.208097Z",
"structure_string": "U6 Ti2 Ge10\n1.0\n4.260967 -7.380211 0.000000\n4.260967 7.380211 -0.000000\n0.000000 0.000000 5.680868\nU Ti Ge\n6 2 10\ndirect\n0.000000 0.610913 0.250000 U\n0.389087 0.000000 0.750000 U\n0.610913 0.610913 0.750000 U\n0.389087 0.389087 0.250000 U\n0.610913 0.000000 0.250000 U\n0.000000 0.389087 0.750000 U\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.000000 Ge\n0.000000 0.738621 0.750000 Ge\n0.261379 0.000000 0.250000 Ge\n0.000000 0.261379 0.250000 Ge\n0.261379 0.261379 0.750000 Ge\n0.738621 0.000000 0.750000 Ge\n0.666667 0.333333 0.000000 Ge\n0.738622 0.738622 0.250000 Ge\n0.333333 0.666667 0.500000 Ge\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti-U",
"density": 10.458497919513448,
"density_atomic": 0.05037915304970664,
"volume": 357.29064325953004,
"volume_molar": 11.953636366332418,
"formula_full": "U6 Ti2 Ge10",
"formula_reduced": "U3TiGe5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.3394706759259254,
"spacegroup": 193
}
]
}