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=formula_reduced&page=4565",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4563",
"results": [
{
"id": "jvasp-92291",
"created_at": "2022-09-04T14:35:41.750935Z",
"updated_at": "2022-09-04T14:35:41.750957Z",
"structure_string": "Zr2 Cu1 H2\n1.0\n3.271060 0.000000 0.000000\n0.000000 3.271060 0.000000\n-1.635529 -1.635529 5.905081\nZr Cu H\n2 1 2\ndirect\n0.638314 0.638314 0.276628 Zr\n0.361686 0.361686 0.723372 Zr\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"H"
],
"chemical_system": "Cu-H-Zr",
"density": 6.518012662431545,
"density_atomic": 0.07913472991920707,
"volume": 63.1833836433734,
"volume_molar": 7.609984599869526,
"formula_full": "Zr2 Cu1 H2",
"formula_reduced": "Zr2CuH2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.76575189,
"spacegroup": 139
},
{
"id": "jvasp-112889",
"created_at": "2022-09-04T14:38:44.230383Z",
"updated_at": "2022-09-04T14:38:44.230410Z",
"structure_string": "Zr4 Cu2 H10\n1.0\n4.884547 -0.003170 2.996928\n3.527681 3.378501 2.996928\n0.005428 0.002178 8.318039\nZr Cu H\n4 2 10\ndirect\n0.919602 0.919601 0.843540 Zr\n0.080399 0.080399 0.156460 Zr\n0.326393 0.326393 0.574828 Zr\n0.673608 0.673607 0.425172 Zr\n0.622043 0.622043 0.848635 Cu\n0.377958 0.377958 0.151366 Cu\n0.863426 0.863425 0.425191 H\n0.136575 0.136575 0.574809 H\n0.534656 0.534655 0.329492 H\n0.465345 0.465345 0.670509 H\n0.685081 0.685080 0.022238 H\n0.314920 0.314920 0.977762 H\n0.817000 0.817000 0.703344 H\n0.183000 0.183000 0.296656 H\n0.119270 0.119270 0.860279 H\n0.880731 0.880730 0.139722 H\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"H"
],
"chemical_system": "Cu-H-Zr",
"density": 6.072249442531323,
"density_atomic": 0.11653555960141528,
"volume": 137.2971482243235,
"volume_molar": 5.167642203459127,
"formula_full": "Zr4 Cu2 H10",
"formula_reduced": "Zr2CuH5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 3.0163924312500003,
"spacegroup": 12
},
{
"id": "jvasp-41153",
"created_at": "2022-09-04T14:37:39.218541Z",
"updated_at": "2022-09-04T14:37:39.218563Z",
"structure_string": "Zr2 Cu1 Os1\n1.0\n0.000000 3.284153 3.284153\n3.284153 -0.000000 3.284153\n3.284153 3.284153 0.000000\nZr Cu Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499998 0.499998 0.499998 Zr\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Os"
],
"chemical_system": "Cu-Os-Zr",
"density": 10.224886900633027,
"density_atomic": 0.0564624671654668,
"volume": 70.8435213834661,
"volume_molar": 10.66574144263257,
"formula_full": "Zr2 Cu1 Os1",
"formula_reduced": "Zr2CuOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4342086125,
"spacegroup": 225
},
{
"id": "jvasp-81252",
"created_at": "2022-09-04T14:37:13.052911Z",
"updated_at": "2022-09-04T14:37:13.052933Z",
"structure_string": "Zr2 Cu1 Pt1\n1.0\n-8.797051 -0.000000 -5.078980\n-9.249387 0.238622 5.862450\n-6.127967 9.067333 0.455991\nZr Cu Pt\n2 1 1\ndirect\n0.738069 -0.000000 0.000000 Zr\n0.261931 -0.000000 0.000000 Zr\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Pt"
],
"chemical_system": "Cu-Pt-Zr",
"density": 0.8274152432578914,
"density_atomic": 0.004518757284281344,
"volume": 885.1991262983166,
"volume_molar": 133.26984347993704,
"formula_full": "Zr2 Cu1 Pt1",
"formula_reduced": "Zr2CuPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4086352125,
"spacegroup": 71
},
{
"id": "jvasp-21986",
"created_at": "2022-09-04T14:37:34.618462Z",
"updated_at": "2022-09-04T14:37:34.618483Z",
"structure_string": "Zr4 Cu2 S8\n1.0\n6.392453 -0.000000 3.690684\n2.130818 6.026862 3.690684\n0.000000 0.000000 7.381369\nZr Cu S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.500000 -0.000000 0.500000 Zr\n0.875000 0.875000 0.874999 Cu\n0.125000 0.125000 0.125000 Cu\n0.748217 0.748217 0.748217 S\n0.251783 0.251782 0.744653 S\n0.251783 0.744653 0.251782 S\n0.744653 0.251782 0.251782 S\n0.748217 0.255347 0.748217 S\n0.255347 0.748217 0.748217 S\n0.251783 0.251782 0.251782 S\n0.748217 0.748217 0.255346 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"S"
],
"chemical_system": "Cu-S-Zr",
"density": 4.370688309432789,
"density_atomic": 0.04923028253167806,
"volume": 284.3778113804539,
"volume_molar": 12.23259435109874,
"formula_full": "Zr4 Cu2 S8",
"formula_reduced": "Zr2CuS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3646656357142857,
"spacegroup": 227
},
{
"id": "jvasp-100783",
"created_at": "2022-09-04T14:36:45.825328Z",
"updated_at": "2022-09-04T14:36:45.825360Z",
"structure_string": "Zr2 Cu3 Sb3\n1.0\n4.232980 -0.000000 0.000000\n0.000000 4.232980 0.000000\n-0.000000 -0.000000 8.797763\nZr Cu Sb\n2 3 3\ndirect\n0.500000 0.500000 0.759057 Zr\n0.000000 0.000000 0.266172 Zr\n0.500000 0.000000 0.475879 Cu\n-0.000000 0.500000 0.475879 Cu\n0.500000 0.500000 0.328734 Cu\n0.500000 0.000000 0.017088 Sb\n-0.000000 0.500000 0.017088 Sb\n0.000000 0.000000 0.660103 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Zr",
"density": 7.777787907281239,
"density_atomic": 0.05074874368024529,
"volume": 157.639370353795,
"volume_molar": 11.866580969854054,
"formula_full": "Zr2 Cu3 Sb3",
"formula_reduced": "Zr2(CuSb)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.7480148312500003,
"spacegroup": 99
},
{
"id": "jvasp-17409",
"created_at": "2022-09-04T14:38:27.906814Z",
"updated_at": "2022-09-04T14:38:27.906850Z",
"structure_string": "Zr2 Cu1 Sb3\n1.0\n3.947580 0.000000 0.000000\n-0.000000 3.947580 -0.000000\n0.000000 0.000000 8.642321\nZr Cu Sb\n2 1 3\ndirect\n0.500000 0.000000 0.736640 Zr\n0.000000 0.500000 0.263360 Zr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.375773 Sb\n0.000000 0.500000 0.624227 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Zr",
"density": 7.536899914294696,
"density_atomic": 0.044551155972869586,
"volume": 134.6766401225107,
"volume_molar": 13.517361398360386,
"formula_full": "Zr2 Cu1 Sb3",
"formula_reduced": "Zr2CuSb3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.3311196250000004,
"spacegroup": 115
},
{
"id": "jvasp-20102",
"created_at": "2022-09-04T14:36:45.499317Z",
"updated_at": "2022-09-04T14:36:45.499326Z",
"structure_string": "Zr4 Fe2\n1.0\n5.044435 0.145100 -1.488091\n-2.786033 4.207778 -1.488091\n-0.075282 -0.145100 5.258809\nZr Fe\n4 2\ndirect\n0.679132 0.179131 0.858262 Zr\n0.179132 0.320869 0.500000 Zr\n0.820871 0.679131 0.500001 Zr\n0.320870 0.820869 0.141740 Zr\n0.250000 0.250000 0.000000 Fe\n0.750001 0.750000 0.000001 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Fe"
],
"chemical_system": "Fe-Zr",
"density": 7.091130506799358,
"density_atomic": 0.05376211564028324,
"volume": 111.602750906333,
"volume_molar": 11.201457919352583,
"formula_full": "Zr4 Fe2",
"formula_reduced": "Zr2Fe",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4996981666666667,
"spacegroup": 140
},
{
"id": "jvasp-27204",
"created_at": "2022-09-04T14:38:31.368139Z",
"updated_at": "2022-09-04T14:38:31.368149Z",
"structure_string": "Zr2 Fe12 P7\n1.0\n4.427001 -7.667790 -0.000000\n4.427001 7.667790 -0.000000\n-0.000000 -0.000000 3.599722\nZr Fe P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.902763 0.120311 0.500000 Fe\n0.879689 0.782453 0.500000 Fe\n0.217547 0.097237 0.500000 Fe\n0.052377 0.615274 0.500000 Fe\n0.384726 0.437104 0.500000 Fe\n0.562896 0.947622 0.500000 Fe\n0.120089 0.844117 0.000000 Fe\n0.155883 0.275972 0.000000 Fe\n0.938145 0.368410 0.000000 Fe\n0.631590 0.569736 0.000000 Fe\n0.430264 0.061854 0.000000 Fe\n0.724028 0.879911 0.000000 Fe\n0.596336 0.710594 0.500000 P\n0.413165 0.298751 0.000000 P\n0.885586 0.586835 0.000000 P\n0.701249 0.114414 0.000000 P\n0.114259 0.403664 0.500000 P\n0.289406 0.885741 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"P"
],
"chemical_system": "Fe-P-Zr",
"density": 7.266282008331945,
"density_atomic": 0.0859291481508249,
"volume": 244.38738718950518,
"volume_molar": 7.0082630743991485,
"formula_full": "Zr2 Fe12 P7",
"formula_reduced": "Zr2Fe12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 4.230505404761906,
"spacegroup": 174
},
{
"id": "jvasp-12355",
"created_at": "2022-09-04T14:38:13.758712Z",
"updated_at": "2022-09-04T14:38:13.758739Z",
"structure_string": "Zr4 Fe6 Ge2\n1.0\n2.503764 -4.336645 -0.000000\n2.503764 4.336645 0.000000\n0.000000 0.000000 8.150895\nZr Fe Ge\n4 6 2\ndirect\n0.666666 0.333332 0.065702 Zr\n0.333332 0.666666 0.565703 Zr\n0.666666 0.333332 0.434298 Zr\n0.333332 0.666666 0.934298 Zr\n0.826431 0.173567 0.750000 Fe\n0.173568 0.347137 0.250000 Fe\n0.652862 0.826431 0.250000 Fe\n0.347137 0.173568 0.750000 Fe\n0.826431 0.652862 0.750000 Fe\n0.173567 0.826431 0.250000 Fe\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Zr",
"density": 7.9295705002628365,
"density_atomic": 0.06779515984993079,
"volume": 177.00378650279487,
"volume_molar": 8.882847644773491,
"formula_full": "Zr4 Fe6 Ge2",
"formula_reduced": "Zr2Fe3Ge",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.571403575,
"spacegroup": 194
},
{
"id": "jvasp-119632",
"created_at": "2022-09-04T14:38:36.412753Z",
"updated_at": "2022-09-04T14:38:36.412772Z",
"structure_string": "Zr4 Fe2 B4 Ru10\n1.0\n9.323383 -0.000000 0.000000\n0.000000 9.323383 0.000000\n-0.000000 -0.000000 3.045481\nZr Fe B Ru\n4 2 4 10\ndirect\n0.676586 0.176586 -0.000000 Zr\n0.323414 0.823413 -0.000000 Zr\n0.176586 0.323414 -0.000000 Zr\n0.823413 0.676586 -0.000000 Zr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.623934 0.876066 -0.000000 B\n0.376066 0.123934 -0.000000 B\n0.123934 0.623934 -0.000000 B\n0.876066 0.376066 -0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.212880 0.070397 0.500000 Ru\n0.787119 0.929602 0.500000 Ru\n0.070397 0.787119 0.500000 Ru\n0.712880 0.429602 0.500000 Ru\n0.929602 0.212880 0.500000 Ru\n0.287119 0.570397 0.500000 Ru\n0.570397 0.712880 0.500000 Ru\n0.429602 0.287119 0.500000 Ru\n-0.000000 0.500000 0.500000 Ru\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zr",
"Fe",
"B",
"Ru"
],
"chemical_system": "B-Fe-Ru-Zr",
"density": 9.60037062309513,
"density_atomic": 0.0755487096109548,
"volume": 264.7298690208196,
"volume_molar": 7.971202673098695,
"formula_full": "Zr4 Fe2 B4 Ru10",
"formula_reduced": "Zr2FeB2Ru5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 5.169342216666667,
"spacegroup": 127
},
{
"id": "jvasp-109620",
"created_at": "2022-09-04T14:38:28.282304Z",
"updated_at": "2022-09-04T14:38:28.282331Z",
"structure_string": "Zr2 Fe1 Os1\n1.0\n3.959528 0.000000 2.286035\n1.319843 3.733079 2.286035\n-0.000000 -0.000000 4.572070\nZr Fe Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.749999 Zr\n0.500000 0.500000 0.499999 Fe\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Os"
],
"chemical_system": "Fe-Os-Zr",
"density": 10.5293064083192,
"density_atomic": 0.05918838925143438,
"volume": 67.58082202588514,
"volume_molar": 10.174530572909719,
"formula_full": "Zr2 Fe1 Os1",
"formula_reduced": "Zr2FeOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.381992375000001,
"spacegroup": 225
}
]
}