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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=696",
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"results": [
{
"id": "jvasp-37178",
"created_at": "2022-09-04T14:35:53.277274Z",
"updated_at": "2022-09-04T14:35:53.277299Z",
"structure_string": "Mn2 Sn2\n1.0\n2.024427 -3.506410 -0.000000\n2.024427 3.506410 0.000000\n-0.000000 0.000000 5.570241\nMn Sn\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666668 0.250000 Sn\n0.666668 0.333334 0.750000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
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"density": 7.292563055229241,
"density_atomic": 0.05058144044747854,
"volume": 79.08038926161895,
"volume_molar": 11.905830887226545,
"formula_full": "Mn2 Sn2",
"formula_reduced": "MnSn",
"formula_anonymous": "AB",
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"spacegroup": 194
},
{
"id": "jvasp-91948",
"created_at": "2022-09-04T14:36:20.386844Z",
"updated_at": "2022-09-04T14:36:20.386872Z",
"structure_string": "Mn6 Sn2\n1.0\n0.000000 0.000000 -4.292593\n-2.725574 -4.720697 0.000000\n-2.725574 4.720697 -0.000000\nMn Sn\n6 2\ndirect\n0.749999 0.850243 0.700499 Mn\n0.749999 0.850242 0.149757 Mn\n0.749999 0.299500 0.149756 Mn\n0.250000 0.149756 0.299500 Mn\n0.250000 0.149757 0.850242 Mn\n0.250000 0.700499 0.850243 Mn\n0.250000 0.666669 0.333329 Sn\n0.749999 0.333329 0.666669 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 8.52423305427344,
"density_atomic": 0.07242294394672165,
"volume": 110.4622314978696,
"volume_molar": 8.315238834298453,
"formula_full": "Mn6 Sn2",
"formula_reduced": "Mn3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 3.327503356034482,
"spacegroup": 194
},
{
"id": "jvasp-18235",
"created_at": "2022-09-04T14:38:05.438967Z",
"updated_at": "2022-09-04T14:38:05.438983Z",
"structure_string": "Mn4 Sn2\n1.0\n2.246753 -3.891490 0.000000\n2.246753 3.891490 0.000000\n0.000000 0.000000 5.463115\nMn Sn\n4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333332 0.666666 0.250000 Mn\n0.666666 0.333332 0.749999 Mn\n0.333332 0.666666 0.749999 Sn\n0.666666 0.333332 0.250000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 7.946708907120145,
"density_atomic": 0.0628072333281015,
"volume": 95.53039804597559,
"volume_molar": 9.588291731528233,
"formula_full": "Mn4 Sn2",
"formula_reduced": "Mn2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 2.72147206091954,
"spacegroup": 194
},
{
"id": "jvasp-122585",
"created_at": "2022-09-04T14:38:51.561685Z",
"updated_at": "2022-09-04T14:38:51.561696Z",
"structure_string": "Mn1 Sn7\n1.0\n6.510344 -0.000000 -0.000000\n-0.000000 6.510344 -0.000000\n0.000000 0.000000 6.510344\nMn Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Mn\n0.238011 0.238011 0.738011 Sn\n0.000000 0.500000 0.000000 Sn\n0.238011 0.761988 0.261988 Sn\n0.500000 0.000000 0.000000 Sn\n0.761988 0.238011 0.261988 Sn\n0.500000 0.500000 0.500000 Sn\n0.761988 0.761988 0.738011 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 5.331211748569488,
"density_atomic": 0.028992000028487015,
"volume": 275.93818957434274,
"volume_molar": 20.77173273345321,
"formula_full": "Mn1 Sn7",
"formula_reduced": "MnSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 1.0700098926724138,
"spacegroup": 215
},
{
"id": "jvasp-36320",
"created_at": "2022-09-04T14:37:18.437527Z",
"updated_at": "2022-09-04T14:37:18.437550Z",
"structure_string": "Mn1 Sn1\n1.0\n3.161351 -0.000000 -0.000000\n0.000000 3.161351 -0.000000\n0.000000 -0.000000 3.161351\nMn Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 9.12642823185338,
"density_atomic": 0.06330118541473034,
"volume": 31.594984942171322,
"volume_molar": 9.513472331591808,
"formula_full": "Mn1 Sn1",
"formula_reduced": "MnSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.798139470689655,
"spacegroup": 221
},
{
"id": "jvasp-35779",
"created_at": "2022-09-04T14:37:19.394027Z",
"updated_at": "2022-09-04T14:37:19.394059Z",
"structure_string": "Mn1 Sn1\n1.0\n2.745690 2.745690 0.000000\n2.745690 -0.000000 -2.745690\n0.000000 2.745690 -2.745690\nMn Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 6.965214477529723,
"density_atomic": 0.04831094069820287,
"volume": 41.398490095524025,
"volume_molar": 12.465376730335578,
"formula_full": "Mn1 Sn1",
"formula_reduced": "MnSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.7386644706896548,
"spacegroup": 225
},
{
"id": "jvasp-18209",
"created_at": "2022-09-04T14:38:11.654371Z",
"updated_at": "2022-09-04T14:38:11.654401Z",
"structure_string": "Mn6 Sn2\n1.0\n2.725467 -4.720647 0.000000\n2.725467 4.720647 -0.000000\n-0.000000 -0.000000 4.292526\nMn Sn\n6 2\ndirect\n0.299523 0.149761 0.750001 Mn\n0.149761 0.850240 0.250000 Mn\n0.149761 0.299523 0.250000 Mn\n0.850240 0.700479 0.750001 Mn\n0.850240 0.149761 0.750001 Mn\n0.700479 0.850240 0.250000 Mn\n0.333333 0.666668 0.750001 Sn\n0.666668 0.333333 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 8.524791057511909,
"density_atomic": 0.07242768481161875,
"volume": 110.45500102354025,
"volume_molar": 8.314694547621293,
"formula_full": "Mn6 Sn2",
"formula_reduced": "Mn3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 3.327405856034482,
"spacegroup": 194
},
{
"id": "jvasp-38226",
"created_at": "2022-09-04T14:36:07.715022Z",
"updated_at": "2022-09-04T14:36:07.715047Z",
"structure_string": "Mn2 Sn6\n1.0\n3.199216 -5.541206 -0.000000\n3.199216 5.541206 -0.000000\n-0.000000 0.000000 5.506910\nMn Sn\n2 6\ndirect\n0.333333 0.666668 0.750000 Mn\n0.666668 0.333333 0.250000 Mn\n0.657855 0.828929 0.250000 Sn\n0.171073 0.828929 0.250000 Sn\n0.171072 0.342146 0.250000 Sn\n0.342146 0.171072 0.750000 Sn\n0.828929 0.171073 0.750000 Sn\n0.828929 0.657855 0.750000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 6.992089476640183,
"density_atomic": 0.04097360284903033,
"volume": 195.24765809529796,
"volume_molar": 14.697611001377972,
"formula_full": "Mn2 Sn6",
"formula_reduced": "MnSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4546305853448276,
"spacegroup": 194
},
{
"id": "jvasp-93367",
"created_at": "2022-09-04T14:36:15.214343Z",
"updated_at": "2022-09-04T14:36:15.214356Z",
"structure_string": "Mn2 Sn4\n1.0\n-3.323702 3.323702 -2.718389\n3.323702 -3.323702 -2.718389\n-3.323702 -3.323702 2.718389\nMn Sn\n2 4\ndirect\n0.750000 0.750000 0.000000 Mn\n0.250000 0.250000 0.000000 Mn\n0.835183 0.335183 0.170366 Sn\n0.164817 0.664816 0.829633 Sn\n0.664817 0.835183 0.500000 Sn\n0.335183 0.164817 0.500000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 8.083108155729063,
"density_atomic": 0.04995000063253914,
"volume": 120.12011859898546,
"volume_molar": 12.056337705183074,
"formula_full": "Mn2 Sn4",
"formula_reduced": "MnSn2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5240768804597704,
"spacegroup": 140
},
{
"id": "jvasp-37461",
"created_at": "2022-09-04T14:38:31.708245Z",
"updated_at": "2022-09-04T14:38:31.708279Z",
"structure_string": "Sm2 Mn6\n1.0\n2.994208 -5.186122 0.000000\n2.994208 5.186122 0.000000\n0.000000 0.000000 4.581759\nSm Mn\n2 6\ndirect\n0.666667 0.333333 0.750000 Sm\n0.333333 0.666667 0.250000 Sm\n0.853697 0.707394 0.250000 Mn\n0.292607 0.146304 0.250000 Mn\n0.853696 0.146304 0.250000 Mn\n0.146304 0.292607 0.750000 Mn\n0.707394 0.853697 0.750000 Mn\n0.146304 0.853696 0.750000 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Mn"
],
"chemical_system": "Mn-Sm",
"density": 7.356017097767697,
"density_atomic": 0.05622158101397822,
"volume": 142.29411296724263,
"volume_molar": 10.711439720100955,
"formula_full": "Sm2 Mn6",
"formula_reduced": "SmMn3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6598701497844814,
"spacegroup": 194
},
{
"id": "jvasp-119475",
"created_at": "2022-09-04T14:38:51.021936Z",
"updated_at": "2022-09-04T14:38:51.021966Z",
"structure_string": "Zr3 Mn8 Si1\n1.0\n4.825721 0.000000 0.000000\n-2.412861 4.179197 0.000000\n-0.000000 -0.000000 8.008928\nZr Mn Si\n3 8 1\ndirect\n0.333334 0.666667 0.556156 Zr\n0.333334 0.666667 0.935332 Zr\n0.000000 0.000000 0.079452 Zr\n0.666667 0.333334 0.498280 Mn\n0.666667 0.333334 0.988866 Mn\n0.495854 0.504147 0.256096 Mn\n0.495854 0.991709 0.256096 Mn\n0.008292 0.504147 0.256096 Mn\n0.840964 0.159036 0.744794 Mn\n0.840964 0.681930 0.744794 Mn\n0.318071 0.159036 0.744794 Mn\n0.000000 0.000000 0.439306 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Zr",
"density": 7.62063761600466,
"density_atomic": 0.07429366850800667,
"volume": 161.52116648684205,
"volume_molar": 8.105860002526311,
"formula_full": "Zr3 Mn8 Si1",
"formula_reduced": "Zr3Mn8Si",
"formula_anonymous": "AB3C8",
"energy_above_hull": 5.065557502586207,
"spacegroup": 156
},
{
"id": "jvasp-23747",
"created_at": "2022-09-04T14:37:45.903647Z",
"updated_at": "2022-09-04T14:37:45.903664Z",
"structure_string": "Zr4 Mn4 Si4\n1.0\n4.084634 0.000000 0.000000\n0.000000 6.499664 0.000000\n0.000000 0.000000 6.921241\nZr Mn Si\n4 4 4\ndirect\n0.250000 0.486842 0.696260 Zr\n0.250000 -0.013158 0.803740 Zr\n0.749999 0.013158 0.196260 Zr\n0.749999 0.513157 0.303740 Zr\n0.749999 0.340560 0.938785 Mn\n0.250000 0.159440 0.438785 Mn\n0.749999 0.840559 0.561215 Mn\n0.250000 0.659440 0.061215 Mn\n0.250000 0.293891 0.105224 Si\n0.250000 0.793891 0.394776 Si\n0.749999 0.706108 0.894776 Si\n0.749999 0.206109 0.605224 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Si-Zr",
"density": 6.298653686425236,
"density_atomic": 0.06530602042844383,
"volume": 183.7502870527606,
"volume_molar": 9.221417444351081,
"formula_full": "Zr4 Mn4 Si4",
"formula_reduced": "ZrMnSi",
"formula_anonymous": "ABC",
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"spacegroup": 62
}
]
}