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=nelements&page=1550",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1548",
"results": [
{
"id": "jvasp-46240",
"created_at": "2022-09-04T14:37:13.652241Z",
"updated_at": "2022-09-04T14:37:13.652258Z",
"structure_string": "Co2 Bi4 O12\n1.0\n4.894442 0.000980 -0.000002\n0.000980 4.894436 -0.000001\n-0.000003 -0.000001 9.845409\nCo Bi O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500001 0.500000 Co\n0.999999 0.000000 0.333687 Bi\n0.000000 0.000000 0.666314 Bi\n0.500001 0.500002 0.166081 Bi\n0.499998 0.499999 0.833920 Bi\n0.820033 0.179965 0.146744 O\n0.679825 0.679827 0.646887 O\n0.679825 0.679827 0.353116 O\n0.724362 0.724363 0.000000 O\n0.275637 0.275638 0.000000 O\n0.179967 0.820036 0.853256 O\n0.320176 0.320173 0.353114 O\n0.820036 0.179968 0.853256 O\n0.179965 0.820033 0.146744 O\n0.225089 0.774912 0.500000 O\n0.320175 0.320175 0.646885 O\n0.774912 0.225090 0.500000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Bi",
"O"
],
"chemical_system": "Bi-Co-O",
"density": 8.06698127211491,
"density_atomic": 0.0763190436648417,
"volume": 235.85201197027257,
"volume_molar": 7.89074452563437,
"formula_full": "Co2 Bi4 O12",
"formula_reduced": "Co(BiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.4564989444444447,
"spacegroup": 136
},
{
"id": "jvasp-80018",
"created_at": "2022-09-04T14:37:13.656165Z",
"updated_at": "2022-09-04T14:37:13.656186Z",
"structure_string": "Lu1 Ga1 Cu2\n1.0\n0.000000 3.163480 3.163480\n3.163480 -0.000000 3.163480\n3.163480 3.163480 -0.000000\nLu Ga Cu\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Lu\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Lu",
"density": 9.750169861772523,
"density_atomic": 0.06317346763619022,
"volume": 63.31772102547237,
"volume_molar": 9.532705715445156,
"formula_full": "Lu1 Ga1 Cu2",
"formula_reduced": "LuGaCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10820",
"created_at": "2022-09-04T14:37:13.658489Z",
"updated_at": "2022-09-04T14:37:13.658505Z",
"structure_string": "V4 Zn1 S8\n1.0\n6.844421 0.029673 0.020981\n3.447908 5.971950 0.000000\n3.447908 1.990650 5.630410\nV Zn S\n4 1 8\ndirect\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 -0.000000 V\n0.500000 0.500000 0.500000 V\n0.500000 -0.000000 0.500000 V\n0.500000 -0.000000 -0.000000 Zn\n0.250804 0.253153 0.253153 S\n0.250804 0.253153 0.742888 S\n0.250804 0.742888 0.253153 S\n0.742550 0.252483 0.252483 S\n0.257450 0.747517 0.747517 S\n0.749196 0.746846 0.257111 S\n0.749196 0.257111 0.746846 S\n0.749197 0.746846 0.746846 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"V",
"Zn",
"S"
],
"chemical_system": "S-V-Zn",
"density": 3.8073575145542007,
"density_atomic": 0.056700131729380245,
"volume": 229.2763632727824,
"volume_molar": 10.62103486591992,
"formula_full": "V4 Zn1 S8",
"formula_reduced": "V4ZnS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.865330553846154,
"spacegroup": 166
},
{
"id": "jvasp-50021",
"created_at": "2022-09-04T14:37:13.660168Z",
"updated_at": "2022-09-04T14:37:13.660194Z",
"structure_string": "Ca1 Pb1 I4\n1.0\n5.313836 5.278118 0.000000\n-5.313836 5.278118 0.000000\n0.000000 0.000000 4.719897\nCa Pb I\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pb\n0.206560 0.793441 0.500000 I\n0.306057 0.306057 0.000000 I\n0.693943 0.693943 0.000000 I\n0.793441 0.206560 0.500000 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"I"
],
"chemical_system": "Ca-I-Pb",
"density": 4.734633793763699,
"density_atomic": 0.022662169911128266,
"volume": 264.75840678670835,
"volume_molar": 26.573539884381617,
"formula_full": "Ca1 Pb1 I4",
"formula_reduced": "CaPbI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0098233333333331,
"spacegroup": 65
},
{
"id": "jvasp-34366",
"created_at": "2022-09-04T14:37:13.645654Z",
"updated_at": "2022-09-04T14:37:13.645668Z",
"structure_string": "Ba2 Br4 O12\n1.0\n6.917976 -0.143807 -2.536112\n-3.994963 6.039569 -1.369237\n0.033500 0.078378 7.640265\nBa Br O\n2 4 12\ndirect\n0.879359 0.129358 0.750000 Ba\n0.120643 0.870642 0.250000 Ba\n0.519927 0.317686 0.828770 Br\n0.480074 0.682314 0.171229 Br\n0.011086 0.308846 0.328770 Br\n-0.011085 0.691155 0.671229 Br\n0.343278 0.235882 0.932022 O\n0.215283 0.596274 -0.013280 O\n0.784718 0.403725 0.013280 O\n0.109554 0.228563 0.513280 O\n0.907932 0.777654 0.833927 O\n0.443726 0.074003 0.666072 O\n0.890447 0.771437 0.486720 O\n0.803860 0.411254 0.567977 O\n0.092069 0.222346 0.166072 O\n0.556276 0.925997 0.333927 O\n0.196141 0.588746 0.432022 O\n0.656724 0.764118 0.067977 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.120113831158057,
"density_atomic": 0.056802165643161644,
"volume": 316.8893262464369,
"volume_molar": 10.601956266653366,
"formula_full": "Ba2 Br4 O12",
"formula_reduced": "Ba(BrO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.800545241944444,
"spacegroup": 15
},
{
"id": "jvasp-34237",
"created_at": "2022-09-04T14:37:13.660053Z",
"updated_at": "2022-09-04T14:37:13.660082Z",
"structure_string": "V2 Cd1 O6\n1.0\n3.541701 -0.056023 0.445307\n-1.905026 4.494960 1.364660\n0.914956 -0.314775 6.917519\nV Cd O\n2 1 6\ndirect\n0.546990 0.730007 0.635728 V\n0.453009 0.269992 0.364273 V\n0.000000 0.000000 0.000000 Cd\n0.330580 0.355527 0.694595 O\n0.669419 0.644473 0.305406 O\n0.460610 0.792713 0.871465 O\n0.539389 0.207287 0.128536 O\n0.868819 0.175593 0.438200 O\n0.131181 0.824407 0.561801 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"Cd",
"O"
],
"chemical_system": "Cd-O-V",
"density": 4.715191339453815,
"density_atomic": 0.08236152768407608,
"volume": 109.274320827588,
"volume_molar": 7.311837127523718,
"formula_full": "V2 Cd1 O6",
"formula_reduced": "V2CdO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.5502510166666665,
"spacegroup": 12
},
{
"id": "jvasp-11147",
"created_at": "2022-09-04T14:37:13.661250Z",
"updated_at": "2022-09-04T14:37:13.661276Z",
"structure_string": "Tl2 Cu6 S4\n1.0\n3.864627 -0.000000 0.000000\n-1.932314 6.780471 -2.738471\n0.000000 0.012556 8.428578\nTl Cu S\n2 6 4\ndirect\n0.861005 0.722006 0.952860 Tl\n0.138997 0.277995 0.047140 Tl\n0.409233 0.818464 0.358544 Cu\n0.311752 0.623501 0.588057 Cu\n0.061846 0.123692 0.406077 Cu\n0.938156 0.876308 0.593924 Cu\n0.688250 0.376499 0.411944 Cu\n0.590769 0.181536 0.641456 Cu\n0.476428 0.952854 0.767960 S\n0.523574 0.047146 0.232040 S\n0.812854 0.625705 0.320508 S\n0.187148 0.374295 0.679492 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.9000452544310455,
"density_atomic": 0.05429980547185246,
"volume": 220.9952668471432,
"volume_molar": 11.090538368727149,
"formula_full": "Tl2 Cu6 S4",
"formula_reduced": "TlCu3S2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3043123250000001,
"spacegroup": 12
},
{
"id": "jvasp-34313",
"created_at": "2022-09-04T14:37:13.666772Z",
"updated_at": "2022-09-04T14:37:13.666795Z",
"structure_string": "K4 C2 O6\n1.0\n5.538718 0.000000 0.879807\n2.769360 5.044231 0.439904\n0.291908 -0.000000 6.708081\nK C O\n4 2 6\ndirect\n0.666129 0.667742 0.750000 K\n0.333872 0.332258 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.668036 0.663928 0.250000 C\n0.331964 0.336072 0.750000 C\n0.225605 0.207831 0.684398 O\n0.202921 0.594160 0.750000 O\n0.797080 0.405840 0.250000 O\n0.774396 0.792168 0.315602 O\n0.566564 0.207831 0.815602 O\n0.433437 0.792168 0.184398 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"C",
"O"
],
"chemical_system": "C-K-O",
"density": 2.466120655444033,
"density_atomic": 0.0644749697661514,
"volume": 186.11873791525,
"volume_molar": 9.34027698165987,
"formula_full": "K4 C2 O6",
"formula_reduced": "K2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.7912827499999997,
"spacegroup": 15
},
{
"id": "jvasp-52141",
"created_at": "2022-09-04T14:37:13.683237Z",
"updated_at": "2022-09-04T14:37:13.683248Z",
"structure_string": "Sr2 Ce4 S8\n1.0\n7.494740 0.001454 -0.001609\n-2.496876 7.065049 0.001627\n-2.500247 -3.532308 6.119045\nSr Ce S\n2 4 8\ndirect\n0.125007 0.750000 0.874998 Sr\n0.374996 0.250000 0.625008 Sr\n0.249989 0.626377 0.376379 Ce\n0.623617 0.373616 0.250011 Ce\n0.750010 0.873616 0.123618 Ce\n0.876378 0.126377 0.749990 Ce\n0.990301 0.846834 0.491371 S\n0.991370 0.346833 0.490302 S\n0.508642 0.998951 0.355485 S\n0.143448 0.153158 0.144530 S\n0.356538 0.501064 0.009687 S\n0.509686 0.001064 0.856539 S\n0.644529 0.653158 0.643449 S\n0.855484 0.498951 0.008642 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"S"
],
"chemical_system": "Ce-S-Sr",
"density": 5.084790270244096,
"density_atomic": 0.04320582031305295,
"volume": 324.0304176280261,
"volume_molar": 13.938262753411133,
"formula_full": "Sr2 Ce4 S8",
"formula_reduced": "Sr(CeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.536348187142857,
"spacegroup": 122
},
{
"id": "jvasp-79976",
"created_at": "2022-09-04T14:37:13.703991Z",
"updated_at": "2022-09-04T14:37:13.704022Z",
"structure_string": "Lu2 Ir1 Pd1\n1.0\n-0.000000 3.375358 3.375358\n3.375358 0.000000 3.375358\n3.375358 3.375358 0.000000\nLu Ir Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Lu\n0.249999 0.249999 0.249999 Ir\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Ir",
"Pd"
],
"chemical_system": "Ir-Lu-Pd",
"density": 14.002871432071476,
"density_atomic": 0.0520080378785107,
"volume": 76.91118840791276,
"volume_molar": 11.579250065283274,
"formula_full": "Lu2 Ir1 Pd1",
"formula_reduced": "Lu2IrPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.962844575,
"spacegroup": 225
},
{
"id": "jvasp-85134",
"created_at": "2022-09-04T14:37:13.850854Z",
"updated_at": "2022-09-04T14:37:13.850876Z",
"structure_string": "Eu1 Tl1 S2\n1.0\n-2.039531 -3.532570 -0.000000\n2.039531 -3.532570 -0.000000\n-0.000000 -2.355046 7.465484\nEu Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Tl\n0.265914 0.265914 0.202260 S\n0.734087 0.734087 0.797740 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Tl",
"S"
],
"chemical_system": "Eu-S-Tl",
"density": 6.49056644768436,
"density_atomic": 0.037183557612832895,
"volume": 107.574429581195,
"volume_molar": 16.1957089278666,
"formula_full": "Eu1 Tl1 S2",
"formula_reduced": "EuTlS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.76262315,
"spacegroup": 166
},
{
"id": "jvasp-9866",
"created_at": "2022-09-04T14:37:13.853535Z",
"updated_at": "2022-09-04T14:37:13.853557Z",
"structure_string": "Mg2 Sn4 O8\n1.0\n6.346705 0.012612 0.001852\n3.161759 5.815364 0.008371\n3.167772 1.985229 5.460769\nMg Sn O\n2 4 8\ndirect\n0.645160 0.105233 0.104983 Mg\n0.355344 0.894767 0.895023 Mg\n0.011349 0.000003 0.500004 Sn\n-0.001172 0.526133 0.475157 Sn\n-0.009878 0.499996 0.000003 Sn\n0.500122 0.473880 0.524847 Sn\n0.223238 0.757046 0.757683 O\n0.202051 0.805983 0.261200 O\n0.763237 0.757065 0.756631 O\n0.796585 0.739053 0.194158 O\n0.237971 0.242939 0.242324 O\n0.769244 0.194006 0.738818 O\n0.229808 0.260963 0.805814 O\n0.776949 0.242928 0.243354 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.376415608097826,
"density_atomic": 0.06958151540970926,
"volume": 201.2028613858914,
"volume_molar": 8.654799661290049,
"formula_full": "Mg2 Sn4 O8",
"formula_reduced": "Mg(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.320108064285714,
"spacegroup": 24
}
]
}