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{
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"results": [
{
"id": "jvasp-23223",
"created_at": "2022-09-04T14:37:42.632440Z",
"updated_at": "2022-09-04T14:37:42.632454Z",
"structure_string": "Ce2 Cr2 Se4 O2\n1.0\n3.850095 -0.000097 0.000042\n-1.924711 5.603157 -0.055900\n-0.000417 -0.151280 8.089970\nCe Cr Se O\n2 2 4 2\ndirect\n0.224536 0.449073 0.801287 Ce\n0.775463 0.550927 0.198712 Ce\n-0.000000 0.000000 0.500000 Cr\n0.499999 -0.000000 -0.000000 Cr\n0.360295 0.720601 0.468158 Se\n0.048221 0.096433 0.199881 Se\n0.951777 0.903567 0.800118 Se\n0.639703 0.279399 0.531842 Se\n0.670560 0.341129 0.938004 O\n0.329438 0.658871 0.061996 O\n",
"nsites": 10,
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"elements": [
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"Cr",
"Se",
"O"
],
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"density": 6.9667650348417185,
"density_atomic": 0.057310422321797214,
"volume": 174.48833204979962,
"volume_molar": 10.507932965815128,
"formula_full": "Ce2 Cr2 Se4 O2",
"formula_reduced": "CeCrSe2O",
"formula_anonymous": "ABCD2",
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"spacegroup": 12
},
{
"id": "jvasp-86742",
"created_at": "2022-09-04T14:35:49.740354Z",
"updated_at": "2022-09-04T14:35:49.740372Z",
"structure_string": "Dy2 Fe4 Si2 C2\n1.0\n3.742703 0.000000 0.000000\n-1.871351 5.230198 -0.000000\n0.000000 0.000000 6.725924\nDy Fe Si C\n2 4 2 2\ndirect\n0.949228 0.898457 0.250000 Dy\n0.050772 0.101543 0.750000 Dy\n0.664924 0.329849 0.062073 Fe\n0.335076 0.670151 0.562073 Fe\n0.664924 0.329849 0.437927 Fe\n0.335076 0.670151 0.937926 Fe\n0.229325 0.458649 0.250000 Si\n0.770675 0.541351 0.750000 Si\n0.500000 0.000000 0.000000 C\n0.500000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Si",
"C"
],
"chemical_system": "C-Dy-Fe-Si",
"density": 7.927731883529391,
"density_atomic": 0.07595293291059631,
"volume": 131.6604852082662,
"volume_molar": 7.92877974454077,
"formula_full": "Dy2 Fe4 Si2 C2",
"formula_reduced": "DyFe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.59896922,
"spacegroup": 63
},
{
"id": "jvasp-110202",
"created_at": "2022-09-04T14:38:18.940279Z",
"updated_at": "2022-09-04T14:38:18.940299Z",
"structure_string": "Na1 Li1 Zn1 S2\n1.0\n3.963253 0.000000 0.000000\n-1.981627 3.432278 0.000000\n-0.000000 -0.000000 6.753303\nNa Li Zn S\n1 1 1 2\ndirect\n0.666666 0.333334 0.023810 Na\n0.000000 0.000000 0.354749 Li\n0.333333 0.666667 0.613423 Zn\n0.000000 0.000000 0.739073 S\n0.333333 0.666667 0.268945 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Na",
"Li",
"Zn",
"S"
],
"chemical_system": "Li-Na-S-Zn",
"density": 2.8825508289202415,
"density_atomic": 0.05442764143946254,
"volume": 91.86508670527785,
"volume_molar": 11.064489661375756,
"formula_full": "Na1 Li1 Zn1 S2",
"formula_reduced": "NaLiZnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2260938800000001,
"spacegroup": 156
},
{
"id": "jvasp-85433",
"created_at": "2022-09-04T14:36:13.286627Z",
"updated_at": "2022-09-04T14:36:13.286642Z",
"structure_string": "Ca2 Fe2 Cl2 O4\n1.0\n4.882089 0.005126 -0.079328\n-2.416750 2.360003 -0.577545\n-0.200656 1.200620 12.773355\nCa Fe Cl O\n2 2 2 4\ndirect\n0.421017 0.743962 0.827665 Ca\n0.742622 0.425069 0.471188 Ca\n0.142329 0.248780 0.270603 Fe\n0.009186 0.811384 0.004097 Fe\n0.636014 0.250953 0.257877 Cl\n0.328780 0.075048 0.643512 Cl\n0.072450 0.149993 0.130707 O\n0.506953 0.153756 -0.000420 O\n-0.063472 -0.217090 0.858693 O\n0.217275 0.383038 0.420541 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-Fe-O",
"density": 3.595436862553559,
"density_atomic": 0.06626550388270668,
"volume": 150.90808058594877,
"volume_molar": 9.087897031100068,
"formula_full": "Ca2 Fe2 Cl2 O4",
"formula_reduced": "CaFeClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.3079693975,
"spacegroup": 8
},
{
"id": "jvasp-51403",
"created_at": "2022-09-04T14:37:10.933867Z",
"updated_at": "2022-09-04T14:37:10.933887Z",
"structure_string": "Na4 H4 C4 N8\n1.0\n3.450025 0.000000 0.000000\n0.000000 6.408541 0.000000\n0.000000 0.000000 10.478696\nNa H C N\n4 4 4 8\ndirect\n0.766923 0.500000 0.250000 Na\n0.233076 0.000000 0.750000 Na\n0.233076 0.500000 0.750000 Na\n0.766923 0.000000 0.250000 Na\n0.820180 0.250000 0.911148 H\n0.179819 0.750000 0.088852 H\n0.820180 0.750000 0.588852 H\n0.179819 0.250000 0.411148 H\n0.805659 0.250000 0.548270 C\n0.194339 0.750000 0.451730 C\n0.805659 0.750000 0.951730 C\n0.194339 0.250000 0.048270 C\n0.295963 0.250000 0.157715 N\n0.704035 0.750000 0.842286 N\n0.295963 0.750000 0.342285 N\n0.704035 0.250000 0.657715 N\n0.113170 0.250000 0.929550 N\n0.886829 0.750000 0.070450 N\n0.113170 0.750000 0.570451 N\n0.886829 0.250000 0.429550 N\n",
"nsites": 20,
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"elements": [
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"H",
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"N"
],
"chemical_system": "C-H-N-Na",
"density": 1.8354746116486547,
"density_atomic": 0.08632594580568516,
"volume": 231.68005648057274,
"volume_molar": 6.976049557053796,
"formula_full": "Na4 H4 C4 N8",
"formula_reduced": "NaHCN2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.8099771,
"spacegroup": 57
},
{
"id": "jvasp-56458",
"created_at": "2022-09-04T14:37:39.321331Z",
"updated_at": "2022-09-04T14:37:39.321347Z",
"structure_string": "Ba4 Ga2 Ge2 N2\n1.0\n0.000000 7.286317 0.004337\n4.224644 0.000000 0.000000\n0.000000 -3.032424 -8.872536\nBa Ga Ge N\n4 2 2 2\ndirect\n0.809661 0.749999 0.617906 Ba\n0.794539 0.749999 0.037725 Ba\n0.190340 0.250000 0.382094 Ba\n0.205462 0.250000 0.962276 Ba\n0.538146 0.250000 0.753935 Ga\n0.461855 0.749999 0.246065 Ga\n0.663818 0.250000 0.298639 Ge\n0.336182 0.749999 0.701362 Ge\n0.815195 0.250000 0.828312 N\n0.184806 0.749999 0.171688 N\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Ge",
"N"
],
"chemical_system": "Ba-Ga-Ge-N",
"density": 5.242309445700386,
"density_atomic": 0.03662202960115092,
"volume": 273.0596886330333,
"volume_molar": 16.444038808298984,
"formula_full": "Ba4 Ga2 Ge2 N2",
"formula_reduced": "Ba2GaGeN",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.929606693,
"spacegroup": 11
},
{
"id": "jvasp-12499",
"created_at": "2022-09-04T14:37:34.966118Z",
"updated_at": "2022-09-04T14:37:34.966131Z",
"structure_string": "Sb2 Pb2 Cl2 O4\n1.0\n5.496436 -0.000000 -0.000000\n-0.000000 5.134622 -2.353088\n-0.000000 0.000215 6.779085\nSb Pb Cl O\n2 2 2 4\ndirect\n0.250000 0.919026 0.838054 Sb\n0.750001 0.080973 0.161946 Sb\n0.250000 0.617719 0.235438 Pb\n0.750001 0.382279 0.764562 Pb\n0.750001 0.743686 0.487373 Cl\n0.250000 0.256313 0.512626 Cl\n0.500000 0.227743 -0.000000 O\n0.000000 0.772257 -0.000000 O\n0.500000 0.772257 -0.000000 O\n0.000000 0.227743 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-Sb",
"density": 6.8811119344286,
"density_atomic": 0.05226764777028,
"volume": 191.32293926734002,
"volume_molar": 11.521736708848527,
"formula_full": "Sb2 Pb2 Cl2 O4",
"formula_reduced": "SbPbClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.1555795975,
"spacegroup": 63
},
{
"id": "jvasp-97539",
"created_at": "2022-09-04T14:35:56.987793Z",
"updated_at": "2022-09-04T14:35:56.987819Z",
"structure_string": "P8 H8 O8 F16\n1.0\n14.027324 0.000000 0.000000\n0.000000 5.901305 -0.000000\n0.000000 0.000000 6.169473\nP H O F\n8 8 8 16\ndirect\n0.644772 0.555664 0.303088 P\n0.144772 0.944337 0.696911 P\n0.355228 0.055663 0.196911 P\n0.855228 0.444337 0.803088 P\n0.355228 0.444337 0.696911 P\n0.855228 0.055663 0.303088 P\n0.644772 0.944337 0.803088 P\n0.144772 0.555664 0.196911 P\n0.183718 0.418418 0.356209 H\n0.683718 0.081582 0.643791 H\n0.816282 0.918419 0.143791 H\n0.316282 0.581582 0.856208 H\n0.183718 0.081582 0.856208 H\n0.316282 0.918419 0.356209 H\n0.683718 0.418418 0.143791 H\n0.816282 0.581582 0.643791 H\n0.797545 0.233647 0.405356 O\n0.202454 0.733647 0.094644 O\n0.702454 0.766354 0.905356 O\n0.297545 0.266354 0.594644 O\n0.797545 0.266354 0.905356 O\n0.297545 0.233647 0.094644 O\n0.202454 0.766354 0.594644 O\n0.702454 0.733647 0.405356 O\n0.951185 0.142720 0.202349 F\n0.451185 0.357281 0.797651 F\n0.951185 0.357281 0.702348 F\n0.451185 0.142720 0.297651 F\n0.048815 0.857281 0.797651 F\n0.548815 0.642720 0.202349 F\n0.102351 0.385251 0.026369 F\n0.602351 0.114749 0.973630 F\n0.897649 0.885251 0.473630 F\n0.397649 0.614750 0.526369 F\n0.897649 0.614750 0.973630 F\n0.397649 0.885251 0.026369 F\n0.102351 0.114749 0.526369 F\n0.602351 0.385251 0.473630 F\n0.548815 0.857281 0.702348 F\n0.048815 0.642720 0.297651 F\n",
"nsites": 40,
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"elements": [
"P",
"H",
"O",
"F"
],
"chemical_system": "F-H-O-P",
"density": 2.2364284217100034,
"density_atomic": 0.07832294952558165,
"volume": 510.70599667515455,
"volume_molar": 7.688858497384682,
"formula_full": "P8 H8 O8 F16",
"formula_reduced": "PHOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.2578879130000002,
"spacegroup": 61
},
{
"id": "jvasp-105340",
"created_at": "2022-09-04T14:36:59.216860Z",
"updated_at": "2022-09-04T14:36:59.216890Z",
"structure_string": "Yb1 Zn1 Cu1 As2\n1.0\n4.089181 0.000000 0.000000\n-2.044591 3.541334 0.000000\n-0.000000 -0.000000 6.888980\nYb Zn Cu As\n1 1 1 2\ndirect\n0.333333 0.666666 0.994625 Yb\n0.000000 0.000000 0.373367 Zn\n0.666666 0.333333 0.637302 Cu\n0.666666 0.333333 0.255205 As\n0.000000 0.000000 0.739502 As\n",
"nsites": 5,
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"elements": [
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"Zn",
"Cu",
"As"
],
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"density": 7.520970672807157,
"density_atomic": 0.05012009172656126,
"volume": 99.76039204553646,
"volume_molar": 12.0154224634201,
"formula_full": "Yb1 Zn1 Cu1 As2",
"formula_reduced": "YbZnCuAs2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.27482501,
"spacegroup": 156
},
{
"id": "jvasp-103665",
"created_at": "2022-09-04T14:36:41.428283Z",
"updated_at": "2022-09-04T14:36:41.428299Z",
"structure_string": "Yb1 Mn2 Bi1 Sb1\n1.0\n4.359425 -0.000000 0.000000\n-2.179712 3.775373 0.000000\n-0.000000 -0.000000 7.729288\nYb Mn Bi Sb\n1 2 1 1\ndirect\n0.666667 0.333333 0.011181 Yb\n0.000000 0.000000 0.600351 Mn\n0.333334 0.666666 0.385585 Mn\n0.333334 0.666666 0.747463 Bi\n0.000000 0.000000 0.255420 Sb\n",
"nsites": 5,
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"elements": [
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"Bi",
"Sb"
],
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"density_atomic": 0.03930442421678984,
"volume": 127.2121421349846,
"volume_molar": 15.321788526360084,
"formula_full": "Yb1 Mn2 Bi1 Sb1",
"formula_reduced": "YbMn2BiSb",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.167861116551724,
"spacegroup": 156
},
{
"id": "jvasp-98073",
"created_at": "2022-09-04T14:35:59.025824Z",
"updated_at": "2022-09-04T14:35:59.025838Z",
"structure_string": "Pt4 C4 I8 O4\n1.0\n6.659706 -0.018218 -1.765702\n-1.569213 6.567447 -1.369646\n0.026379 0.151458 12.899424\nPt C I O\n4 4 8 4\ndirect\n0.811098 0.092079 0.080046 Pt\n0.188903 0.907921 0.919954 Pt\n0.512034 0.731052 0.419954 Pt\n0.487967 0.268948 0.580046 Pt\n0.702721 0.571202 0.411985 C\n0.659217 0.290736 0.088015 C\n0.340784 0.709265 0.911985 C\n0.297280 0.428799 0.588015 C\n0.771520 0.050058 0.576207 I\n0.973852 0.195313 0.923793 I\n0.339559 0.048091 0.770699 I\n0.777393 0.568859 0.729301 I\n0.228481 0.949942 0.423793 I\n0.660443 0.951909 0.229301 I\n0.222609 0.431141 0.270699 I\n0.026150 0.804688 0.076207 I\n0.566703 0.414193 0.096220 O\n0.433299 0.585808 0.903779 O\n0.182028 0.529519 0.596220 O\n0.817973 0.470482 0.403780 O\n",
"nsites": 20,
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"elements": [
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"C",
"I",
"O"
],
"chemical_system": "C-I-O-Pt",
"density": 5.597327097787995,
"density_atomic": 0.03534040344373808,
"volume": 565.9244957924716,
"volume_molar": 17.04038486597146,
"formula_full": "Pt4 C4 I8 O4",
"formula_reduced": "PtCI2O",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.14358949,
"spacegroup": 15
},
{
"id": "jvasp-12018",
"created_at": "2022-09-04T14:37:11.388883Z",
"updated_at": "2022-09-04T14:37:11.388904Z",
"structure_string": "Sr2 Sb2 Se4 F2\n1.0\n4.121697 0.000000 -0.000000\n-0.000000 4.121697 -0.000000\n-0.000000 0.000000 14.413476\nSr Sb Se F\n2 2 4 2\ndirect\n0.250000 0.250000 0.599433 Sr\n0.750001 0.750001 0.400567 Sr\n0.250000 0.250000 0.131813 Sb\n0.750001 0.750001 0.868188 Sb\n0.750001 0.750001 0.690537 Se\n0.750001 0.750001 0.108126 Se\n0.250000 0.250000 0.891875 Se\n0.250000 0.250000 0.309463 Se\n0.750001 0.250000 0.500000 F\n0.250000 0.750001 0.500000 F\n",
"nsites": 10,
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"elements": [
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"Se",
"F"
],
"chemical_system": "F-Sb-Se-Sr",
"density": 5.239395134899597,
"density_atomic": 0.040839380578791364,
"volume": 244.86169619313918,
"volume_molar": 14.745916012074405,
"formula_full": "Sr2 Sb2 Se4 F2",
"formula_reduced": "SrSbSe2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4190298851666667,
"spacegroup": 129
}
]
}