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{
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"results": [
{
"id": "jvasp-30315",
"created_at": "2022-09-04T14:37:59.911030Z",
"updated_at": "2022-09-04T14:37:59.911041Z",
"structure_string": "Mn6 P24\n1.0\n4.819766 0.000000 -0.011639\n0.000000 13.711430 0.000000\n-1.471053 0.000000 6.867963\nMn P\n6 24\ndirect\n0.000000 0.500000 0.500000 Mn\n0.130140 0.335666 0.857490 Mn\n0.000000 0.000000 0.000000 Mn\n0.130140 0.164334 0.357490 Mn\n0.869861 0.835666 0.642509 Mn\n0.869861 0.664334 0.142509 Mn\n0.489977 0.278539 0.446831 P\n0.641985 0.890990 0.868951 P\n0.737453 0.113846 0.791649 P\n0.510024 0.778539 0.053169 P\n0.788349 0.448740 0.748114 P\n0.641985 0.609010 0.368951 P\n0.630423 0.556605 0.936745 P\n0.737453 0.386154 0.291649 P\n0.788349 0.051260 0.248115 P\n0.630423 0.943395 0.436745 P\n0.369578 0.443395 0.063255 P\n0.262548 0.886154 0.208351 P\n0.358016 0.109010 0.131049 P\n0.921125 0.224892 0.616197 P\n0.489977 0.221461 0.946831 P\n0.369578 0.056605 0.563255 P\n0.358017 0.390990 0.631048 P\n0.211652 0.551260 0.251885 P\n0.262549 0.613846 0.708350 P\n0.211652 0.948740 0.751885 P\n0.078876 0.775108 0.383803 P\n0.078877 0.724892 0.883803 P\n0.510024 0.721461 0.553168 P\n0.921125 0.275108 0.116197 P\n",
"nsites": 30,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mn-P",
"density": 3.9276816162018835,
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"volume": 453.6406455692929,
"volume_molar": 9.106292740251838,
"formula_full": "Mn6 P24",
"formula_reduced": "MnP4",
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"spacegroup": 14
},
{
"id": "jvasp-90496",
"created_at": "2022-09-04T14:36:04.060427Z",
"updated_at": "2022-09-04T14:36:04.060446Z",
"structure_string": "Mn6 P3\n1.0\n6.085981 -0.000000 0.000000\n-3.042992 5.270615 -0.000000\n-0.000000 0.000000 3.273728\nMn P\n6 3\ndirect\n0.256502 0.256501 0.000000 Mn\n0.743498 0.000000 0.000000 Mn\n0.599205 0.599205 0.500000 Mn\n-0.000000 0.743498 0.000000 Mn\n0.400794 0.000000 0.500000 Mn\n-0.000000 0.400794 0.500000 Mn\n0.333333 0.666666 0.000004 P\n0.000000 0.000000 0.500000 P\n0.666667 0.333333 0.999997 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 6.6817814793037495,
"density_atomic": 0.08570536931022224,
"volume": 105.01092373131578,
"volume_molar": 7.0265618227512014,
"formula_full": "Mn6 P3",
"formula_reduced": "Mn2P",
"formula_anonymous": "AB2",
"energy_above_hull": 3.245913327586207,
"spacegroup": 189
},
{
"id": "jvasp-50902",
"created_at": "2022-09-04T14:36:54.258636Z",
"updated_at": "2022-09-04T14:36:54.258645Z",
"structure_string": "Mn2 P4\n1.0\n2.760859 0.000000 0.000000\n0.000000 5.089573 0.000000\n0.000000 -0.000000 5.818412\nMn P\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.172504 0.373046 P\n0.500000 0.327495 0.873045 P\n0.500000 0.672504 0.126954 P\n0.000000 0.827495 0.626954 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 4.747991611786267,
"density_atomic": 0.07338734987042925,
"volume": 81.75795979270869,
"volume_molar": 8.205965702035202,
"formula_full": "Mn2 P4",
"formula_reduced": "MnP2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.872602747126437,
"spacegroup": 58
},
{
"id": "jvasp-59615",
"created_at": "2022-09-04T14:37:15.760508Z",
"updated_at": "2022-09-04T14:37:15.760526Z",
"structure_string": "Mn12 P4\n1.0\n4.192648 0.000000 1.488462\n2.096326 6.304891 0.744223\n-0.013036 0.000009 6.685801\nMn P\n12 4\ndirect\n0.341367 0.676073 0.616780 Mn\n0.041854 0.616780 0.323927 Mn\n0.982561 0.383220 0.676072 Mn\n0.634220 0.323927 0.383219 Mn\n0.930553 0.047184 0.607349 Mn\n0.462097 0.607350 0.952815 Mn\n0.022263 0.392650 0.047184 Mn\n0.585088 0.952816 0.392650 Mn\n0.132261 0.976879 0.186976 Mn\n0.680764 0.186977 0.023121 Mn\n0.890862 0.813023 0.976878 Mn\n0.296115 0.023121 0.813023 Mn\n0.203271 0.250347 0.330723 P\n0.466005 0.330723 0.749652 P\n0.546382 0.669277 0.250347 P\n0.784342 0.749653 0.669276 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 7.353176303180815,
"density_atomic": 0.09046905028282552,
"volume": 176.85606237691886,
"volume_molar": 6.65657563683216,
"formula_full": "Mn12 P4",
"formula_reduced": "Mn3P",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8342618060344815,
"spacegroup": 82
},
{
"id": "jvasp-36319",
"created_at": "2022-09-04T14:37:16.346098Z",
"updated_at": "2022-09-04T14:37:16.346123Z",
"structure_string": "Mn1 P1\n1.0\n2.585378 2.585378 0.000000\n2.585378 -0.000000 -2.585378\n0.000000 2.585378 -2.585378\nMn P\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 P\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Mn-P",
"density": 4.127620957064272,
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"volume": 34.562260752538855,
"volume_molar": 10.406939961780626,
"formula_full": "Mn1 P1",
"formula_reduced": "MnP",
"formula_anonymous": "AB",
"energy_above_hull": 2.4144363706896548,
"spacegroup": 216
},
{
"id": "jvasp-15002",
"created_at": "2022-09-04T14:36:00.239248Z",
"updated_at": "2022-09-04T14:36:00.239271Z",
"structure_string": "Mn4 P4\n1.0\n3.190995 0.000000 0.000000\n0.000000 5.220377 0.000000\n0.000000 0.000000 5.850629\nMn P\n4 4\ndirect\n0.250000 0.503615 0.696907 Mn\n0.750001 0.496385 0.303093 Mn\n0.250000 0.003615 0.803093 Mn\n0.750001 0.996386 0.196907 Mn\n0.250000 0.691744 0.072089 P\n0.750001 0.308256 0.927911 P\n0.250000 0.191744 0.427911 P\n0.750001 0.808257 0.572089 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 5.855060564307765,
"density_atomic": 0.08208417473694038,
"volume": 97.46092990077607,
"volume_molar": 7.336542980787079,
"formula_full": "Mn4 P4",
"formula_reduced": "MnP",
"formula_anonymous": "AB",
"energy_above_hull": 2.1182163706896544,
"spacegroup": 62
},
{
"id": "jvasp-20473",
"created_at": "2022-09-04T14:37:44.218650Z",
"updated_at": "2022-09-04T14:37:44.218678Z",
"structure_string": "Mn6 P3\n1.0\n3.042970 -5.270578 0.000000\n3.042970 5.270578 -0.000000\n-0.000000 0.000000 3.273546\nMn P\n6 3\ndirect\n0.256506 0.256506 0.000000 Mn\n0.743494 -0.000000 0.000000 Mn\n0.599194 0.599194 0.500001 Mn\n-0.000000 0.743494 0.000000 Mn\n0.400806 -0.000000 0.500001 Mn\n-0.000000 0.400806 0.500001 Mn\n0.333333 0.666667 -0.000006 P\n0.000000 0.000000 0.500001 P\n0.666667 0.333333 0.000006 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 6.682244893970557,
"density_atomic": 0.08571131340242064,
"volume": 105.0036412083008,
"volume_molar": 7.026074529654711,
"formula_full": "Mn6 P3",
"formula_reduced": "Mn2P",
"formula_anonymous": "AB2",
"energy_above_hull": 3.245913327586207,
"spacegroup": 189
},
{
"id": "jvasp-20213",
"created_at": "2022-09-04T14:37:41.334599Z",
"updated_at": "2022-09-04T14:37:41.334617Z",
"structure_string": "Mn6 P3\n1.0\n3.042970 -5.270578 0.000000\n3.042970 5.270578 -0.000000\n0.000000 -0.000000 3.273546\nMn P\n6 3\ndirect\n0.256506 0.256506 0.000000 Mn\n0.743494 -0.000000 0.000000 Mn\n0.599194 0.599194 0.500001 Mn\n-0.000000 0.743494 0.000000 Mn\n0.400806 -0.000000 0.500001 Mn\n-0.000000 0.400806 0.500001 Mn\n0.333333 0.666667 -0.000006 P\n0.000000 0.000000 0.500001 P\n0.666667 0.333333 0.000006 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Mn",
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],
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"density": 6.682244893970557,
"density_atomic": 0.08571131340242064,
"volume": 105.0036412083008,
"volume_molar": 7.026074529654711,
"formula_full": "Mn6 P3",
"formula_reduced": "Mn2P",
"formula_anonymous": "AB2",
"energy_above_hull": 3.245913327586207,
"spacegroup": 189
},
{
"id": "jvasp-9157",
"created_at": "2022-09-04T14:37:36.314708Z",
"updated_at": "2022-09-04T14:37:36.314735Z",
"structure_string": "Mn2 P8\n1.0\n-5.144923 -0.003441 0.000480\n-0.388656 -5.853494 0.004766\n2.570176 1.928472 4.940359\nMn P\n2 8\ndirect\n0.001310 0.724092 0.215971 Mn\n0.998690 0.275908 0.784030 Mn\n0.443809 0.197270 0.044004 P\n0.556191 0.802730 0.955997 P\n0.448885 0.695298 0.510753 P\n0.551115 0.304702 0.489249 P\n0.126826 0.668327 0.882265 P\n0.873174 0.331672 0.117736 P\n0.879664 0.848318 0.578598 P\n0.120336 0.151682 0.421403 P\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.9905778351895838,
"density_atomic": 0.06719064419903713,
"volume": 148.83024443666972,
"volume_molar": 8.96276681342832,
"formula_full": "Mn2 P8",
"formula_reduced": "MnP4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.364397848275862,
"spacegroup": 2
},
{
"id": "jvasp-14872",
"created_at": "2022-09-04T14:36:41.566284Z",
"updated_at": "2022-09-04T14:36:41.566309Z",
"structure_string": "Mn2 Pd2\n1.0\n3.800343 0.000000 0.000000\n-0.000000 3.702674 0.000000\n0.000000 0.000000 3.702674\nMn Pd\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.499999 0.499999 Mn\n0.500000 0.000000 0.499999 Pd\n0.500000 0.499999 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mn-Pd",
"density": 10.285276416736492,
"density_atomic": 0.07677259892247766,
"volume": 52.101922510648144,
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"formula_full": "Mn2 Pd2",
"formula_reduced": "MnPd",
"formula_anonymous": "AB",
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"spacegroup": 123
},
{
"id": "jvasp-8737",
"created_at": "2022-09-04T14:36:46.244862Z",
"updated_at": "2022-09-04T14:36:46.244885Z",
"structure_string": "Mn2 Pd6\n1.0\n3.817625 -0.000000 -0.934675\n-0.228837 3.810759 -0.934674\n0.003973 0.004219 8.279994\nMn Pd\n2 6\ndirect\n0.124324 0.124324 0.248648 Mn\n0.875673 0.875676 0.751353 Mn\n0.374772 0.374773 0.749545 Pd\n0.625226 0.625227 0.250455 Pd\n0.499999 0.000000 0.000000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.749999 0.250000 0.500000 Pd\n0.249999 0.750000 0.500000 Pd\n",
"nsites": 8,
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"volume": 120.48786489503114,
"volume_molar": 9.069936028371751,
"formula_full": "Mn2 Pd6",
"formula_reduced": "MnPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.2618385853448277,
"spacegroup": 139
},
{
"id": "jvasp-91813",
"created_at": "2022-09-04T14:35:50.902657Z",
"updated_at": "2022-09-04T14:35:50.902684Z",
"structure_string": "Mn3 Pd5\n1.0\n0.000000 -3.857093 0.000000\n-3.946721 0.000000 -3.791777\n3.946721 0.000000 -3.791777\nMn Pd\n3 5\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.745016 0.254985 Mn\n0.500000 0.254985 0.745016 Mn\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.231191 0.231191 Pd\n0.500000 0.768810 0.768810 Pd\n",
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"density": 10.024415284500972,
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"formula_full": "Mn3 Pd5",
"formula_reduced": "Mn3Pd5",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.060696278017241,
"spacegroup": 65
}
]
}