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"results": [
{
"id": "jvasp-86286",
"created_at": "2022-09-04T14:35:49.144325Z",
"updated_at": "2022-09-04T14:35:49.144344Z",
"structure_string": "Ho2 Si2 Ru4 C2\n1.0\n3.784122 0.000000 -0.000000\n-1.892061 5.584228 -0.000000\n0.000000 -0.000000 7.133756\nHo Si Ru C\n2 2 4 2\ndirect\n0.953220 0.906442 0.250000 Ho\n0.046779 0.093560 0.750000 Ho\n0.231256 0.462511 0.250000 Si\n0.768744 0.537490 0.750000 Si\n0.663509 0.327018 0.444130 Ru\n0.336491 0.672982 0.944130 Ru\n0.336491 0.672982 0.555870 Ru\n0.663509 0.327018 0.055870 Ru\n0.500000 -0.000000 0.500000 C\n0.500000 -0.000000 0.000000 C\n",
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"formula_full": "Ho2 Si2 Ru4 C2",
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{
"id": "jvasp-86140",
"created_at": "2022-09-04T14:35:43.658138Z",
"updated_at": "2022-09-04T14:35:43.658167Z",
"structure_string": "Dy2 Fe4 Si2 C2\n1.0\n3.742695 0.000000 0.000000\n-1.871347 5.230214 0.000000\n0.000000 -0.000000 6.725870\nDy Fe Si C\n2 4 2 2\ndirect\n0.949225 0.898454 0.250000 Dy\n0.050773 0.101545 0.750000 Dy\n0.664924 0.329851 0.062073 Fe\n0.335074 0.670148 0.562073 Fe\n0.664924 0.329851 0.437927 Fe\n0.335074 0.670148 0.937927 Fe\n0.229321 0.458644 0.250000 Si\n0.770676 0.541355 0.750000 Si\n0.499999 0.000000 0.000000 C\n0.499999 0.000000 0.500000 C\n",
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"density_atomic": 0.07595347271083316,
"volume": 131.65954949909369,
"volume_molar": 7.928723394817298,
"formula_full": "Dy2 Fe4 Si2 C2",
"formula_reduced": "DyFe2SiC",
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"spacegroup": 63
},
{
"id": "jvasp-86040",
"created_at": "2022-09-04T14:35:42.994374Z",
"updated_at": "2022-09-04T14:35:42.994394Z",
"structure_string": "La2 C2 N4 Cl2\n1.0\n4.019727 0.000000 0.000000\n0.000000 5.268986 -0.998042\n0.000000 -0.000889 7.567791\nLa C N Cl\n2 2 4 2\ndirect\n0.750001 0.175295 0.737057 La\n0.250000 0.824706 0.262943 La\n0.750001 0.348100 0.358924 C\n0.250000 0.651901 0.641076 C\n0.250000 0.431030 0.659352 N\n0.250000 0.876263 0.618955 N\n0.750001 0.123737 0.381045 N\n0.750001 0.568970 0.340648 N\n0.750001 0.744022 0.956204 Cl\n0.250000 0.255979 0.043797 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
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"N",
"Cl"
],
"chemical_system": "C-Cl-La-N",
"density": 4.4420710071080585,
"density_atomic": 0.06239027939623119,
"volume": 160.28137871432693,
"volume_molar": 9.652370238245446,
"formula_full": "La2 C2 N4 Cl2",
"formula_reduced": "LaCN2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.6241911135,
"spacegroup": 11
},
{
"id": "jvasp-85684",
"created_at": "2022-09-04T14:35:41.713703Z",
"updated_at": "2022-09-04T14:35:41.713736Z",
"structure_string": "Hg2 H4 N2 Cl2\n1.0\n6.841971 0.000000 0.000000\n0.000000 4.404313 0.000000\n0.000000 0.000000 5.095614\nHg H N Cl\n2 4 2 2\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.250000 0.811505 0.362282 H\n0.750000 0.811505 0.637717 H\n0.750000 0.188494 0.637717 H\n0.250000 0.188494 0.362282 H\n0.250000 0.000000 0.240176 N\n0.750000 0.000000 0.759823 N\n0.250000 0.500000 0.715735 Cl\n0.750000 0.500000 0.284264 Cl\n",
"nsites": 10,
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"elements": [
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"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-Hg-N",
"density": 5.451759796814231,
"density_atomic": 0.06512445074307661,
"volume": 153.55215876524073,
"volume_molar": 9.247127140861476,
"formula_full": "Hg2 H4 N2 Cl2",
"formula_reduced": "HgH2NCl",
"formula_anonymous": "ABCD2",
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"spacegroup": 51
},
{
"id": "jvasp-39100",
"created_at": "2022-09-04T14:37:38.532462Z",
"updated_at": "2022-09-04T14:37:38.532472Z",
"structure_string": "Si2 Ge2 N4 O2\n1.0\n0.000000 5.398395 -0.002625\n5.022557 0.000000 0.000000\n0.000000 -2.443965 -4.827215\nSi Ge N O\n2 2 4 2\ndirect\n0.165866 0.314915 0.519812 Si\n0.834136 0.814916 0.480188 Si\n0.522047 0.316445 0.176114 Ge\n0.477955 0.816445 0.823886 Ge\n0.589736 0.674667 0.172460 N\n0.151212 0.653861 0.576277 N\n0.848790 0.153861 0.423723 N\n0.410266 0.174667 0.827540 N\n0.255340 0.244111 0.274354 O\n0.744662 0.744111 0.725646 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Si",
"Ge",
"N",
"O"
],
"chemical_system": "Ge-N-O-Si",
"density": 3.671719376267458,
"density_atomic": 0.07638479560262673,
"volume": 130.91610602746863,
"volume_molar": 7.883952182485006,
"formula_full": "Si2 Ge2 N4 O2",
"formula_reduced": "SiGeN2O",
"formula_anonymous": "ABCD2",
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"spacegroup": 4
},
{
"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"
],
"chemical_system": "Ce-Cr-O-Se",
"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",
"energy_above_hull": 2.257602626666667,
"spacegroup": 12
},
{
"id": "jvasp-41340",
"created_at": "2022-09-04T14:37:39.224007Z",
"updated_at": "2022-09-04T14:37:39.224034Z",
"structure_string": "Ba2 Yb2 Cd2 Sb4\n1.0\n4.742325 -0.000000 -0.000000\n0.000000 -0.000000 7.395827\n2.371162 -9.379123 -0.000000\nYb Ba Cd Sb\n2 2 2 4\ndirect\n0.480598 0.222214 0.038807 Yb\n0.519403 0.722215 0.961193 Yb\n0.302420 0.526541 0.395162 Ba\n0.697580 0.026539 0.604838 Ba\n0.906424 0.892470 0.187150 Cd\n0.093576 0.392469 0.812849 Cd\n0.940694 0.500823 0.118615 Sb\n0.333841 0.013814 0.332319 Sb\n0.666160 0.513815 0.667679 Sb\n0.059308 0.000822 0.881384 Sb\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb-Yb",
"density": 6.726781390486635,
"density_atomic": 0.030399028969964118,
"volume": 328.9578759203309,
"volume_molar": 19.81030632902847,
"formula_full": "Ba2 Yb2 Cd2 Sb4",
"formula_reduced": "BaYbCdSb2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-54835",
"created_at": "2022-09-04T14:37:41.361933Z",
"updated_at": "2022-09-04T14:37:41.361952Z",
"structure_string": "Cd2 Bi2 Se4 I2\n1.0\n4.245405 -0.000000 0.000000\n-2.122702 6.895957 -0.138236\n0.000000 -0.050097 10.211763\nCd Bi Se I\n2 2 4 2\ndirect\n-0.000000 -0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.282865 0.565731 0.688425 Bi\n0.717134 0.434269 0.311574 Bi\n0.357211 0.714422 0.440223 Se\n0.642788 0.285578 0.559776 Se\n0.919866 0.839733 0.741681 Se\n0.080133 0.160267 0.258318 Se\n0.640328 0.280656 0.925123 I\n0.359671 0.719344 0.074876 I\n",
"nsites": 10,
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"elements": [
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"Bi",
"Se",
"I"
],
"chemical_system": "Bi-Cd-I-Se",
"density": 6.7349551383276705,
"density_atomic": 0.03345247945200673,
"volume": 298.93150414595425,
"volume_molar": 18.002075955654604,
"formula_full": "Cd2 Bi2 Se4 I2",
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"spacegroup": 12
},
{
"id": "jvasp-26348",
"created_at": "2022-09-04T14:37:41.760807Z",
"updated_at": "2022-09-04T14:37:41.760837Z",
"structure_string": "Sr2 Bi2 Cl2 O4\n1.0\n5.662214 0.000005 0.000029\n-0.000008 5.227719 -2.406063\n0.000035 -0.017206 6.844751\nSr Bi Cl O\n2 2 2 4\ndirect\n0.249998 0.609980 0.219951 Sr\n0.750002 0.390021 0.780049 Sr\n0.750001 0.083830 0.167655 Bi\n0.250000 0.916171 0.832345 Bi\n0.750000 0.744804 0.489594 Cl\n0.250000 0.255196 0.510406 Cl\n0.500001 0.236275 0.000006 O\n-0.000001 0.236272 0.000001 O\n0.000001 0.763728 -0.000001 O\n0.499998 0.763726 -0.000004 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Bi-Cl-O-Sr",
"density": 5.974331753439351,
"density_atomic": 0.049413609886964985,
"volume": 202.37339516127804,
"volume_molar": 12.187210717403193,
"formula_full": "Sr2 Bi2 Cl2 O4",
"formula_reduced": "SrBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6819543355,
"spacegroup": 63
},
{
"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,
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],
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"density": 5.242309445700386,
"density_atomic": 0.03662202960115092,
"volume": 273.0596886330333,
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"formula_full": "Ba4 Ga2 Ge2 N2",
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"spacegroup": 11
},
{
"id": "jvasp-57844",
"created_at": "2022-09-04T14:37:19.523060Z",
"updated_at": "2022-09-04T14:37:19.523084Z",
"structure_string": "Tl4 H4 C4 O8\n1.0\n5.762444 0.000000 0.000000\n0.000000 6.708775 0.000000\n0.000000 0.000000 8.016214\nTl H C O\n4 4 4 8\ndirect\n0.496168 0.500069 0.009087 Tl\n0.996168 -0.000069 0.509086 Tl\n0.003832 0.000069 0.009087 Tl\n0.503831 0.499931 0.509086 Tl\n0.500161 0.912237 0.759255 H\n0.499838 0.087764 0.259255 H\n0.000162 0.587764 0.259255 H\n-0.000162 0.412236 0.759255 H\n0.499956 0.921752 0.259108 C\n0.500043 0.078249 0.759108 C\n-0.000044 0.578249 0.759108 C\n0.000044 0.421751 0.259108 C\n0.837328 0.333518 0.336185 O\n0.337329 0.166483 0.836185 O\n0.662670 0.833518 0.336185 O\n0.162671 0.666483 0.836185 O\n0.162656 0.333573 0.181865 O\n0.337343 0.833573 0.181865 O\n0.837343 0.666428 0.681865 O\n0.662656 0.166427 0.681865 O\n",
"nsites": 20,
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"density": 5.34549071346449,
"density_atomic": 0.06453729351180076,
"volume": 309.8983380259503,
"volume_molar": 9.331257064411666,
"formula_full": "Tl4 H4 C4 O8",
"formula_reduced": "TlHCO2",
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"spacegroup": 52
},
{
"id": "jvasp-100535",
"created_at": "2022-09-04T14:36:37.160475Z",
"updated_at": "2022-09-04T14:36:37.160507Z",
"structure_string": "Yb1 Mn1 Cu1 P2\n1.0\n3.900633 0.000000 -0.000000\n-1.950316 3.378047 0.000000\n-0.000000 0.000000 6.510526\nYb Mn Cu P\n1 1 1 2\ndirect\n0.333332 0.666668 0.990394 Yb\n0.000000 -0.000000 0.376871 Mn\n0.666666 0.333333 0.634891 Cu\n0.666666 0.333333 0.272856 P\n0.000000 -0.000000 0.724989 P\n",
"nsites": 5,
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],
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"density_atomic": 0.058284509814271954,
"volume": 85.78608649078258,
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"formula_full": "Yb1 Mn1 Cu1 P2",
"formula_reduced": "YbMnCuP2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.7750738782758615,
"spacegroup": 156
}
]
}