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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=711",
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"results": [
{
"id": "jvasp-19804",
"created_at": "2022-09-04T14:38:16.835554Z",
"updated_at": "2022-09-04T14:38:16.835574Z",
"structure_string": "Mn2 Pt2\n1.0\n3.765058 -0.000000 0.000000\n-0.000000 3.749826 0.000000\n0.000000 0.000000 3.749826\nMn Pt\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500001 0.500001 Mn\n0.500000 0.000000 0.500001 Pt\n0.500000 0.500001 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Pt"
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"chemical_system": "Mn-Pt",
"density": 15.684240510981358,
"density_atomic": 0.0755555007987115,
"volume": 52.941214838300894,
"volume_molar": 7.970486194041216,
"formula_full": "Mn2 Pt2",
"formula_reduced": "MnPt",
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{
"id": "jvasp-79239",
"created_at": "2022-09-04T14:37:11.597844Z",
"updated_at": "2022-09-04T14:37:11.597869Z",
"structure_string": "Mn3 Pt1\n1.0\n3.638587 0.000000 0.000000\n0.000000 3.638587 0.000000\n-0.000000 0.000000 3.638587\nMn Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 12.40596075590308,
"density_atomic": 0.08303509765162041,
"volume": 48.172400745312316,
"volume_molar": 7.252524450884993,
"formula_full": "Mn3 Pt1",
"formula_reduced": "Mn3Pt",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-20110",
"created_at": "2022-09-04T14:36:42.210693Z",
"updated_at": "2022-09-04T14:36:42.210702Z",
"structure_string": "Mn1 Pt3\n1.0\n3.929689 0.000000 -0.000000\n-0.000000 3.929689 -0.000000\n0.000000 -0.000000 3.929689\nMn Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt",
"density": 17.51795758449329,
"density_atomic": 0.06591518081977374,
"volume": 60.68404804861052,
"volume_molar": 9.136196980883398,
"formula_full": "Mn1 Pt3",
"formula_reduced": "MnPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.945997860344828,
"spacegroup": 221
},
{
"id": "jvasp-14398",
"created_at": "2022-09-04T14:37:26.967180Z",
"updated_at": "2022-09-04T14:37:26.967200Z",
"structure_string": "Sr1 Mn2 P2\n1.0\n1.922656 -3.330138 0.000000\n1.922656 3.330138 -0.000000\n0.000000 -0.000000 7.114373\nSr Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.611896 Mn\n0.333334 0.666668 0.388103 Mn\n0.666668 0.333334 0.293041 P\n0.333334 0.666668 0.706959 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"P"
],
"chemical_system": "Mn-P-Sr",
"density": 4.728916412121197,
"density_atomic": 0.054883216909531386,
"volume": 91.10253154879605,
"volume_molar": 10.972645371583813,
"formula_full": "Sr1 Mn2 P2",
"formula_reduced": "Sr(MnP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.820898358551724,
"spacegroup": 164
},
{
"id": "jvasp-15605",
"created_at": "2022-09-04T14:35:42.736782Z",
"updated_at": "2022-09-04T14:35:42.736811Z",
"structure_string": "Sr1 Mn2 P2\n1.0\n1.922656 -3.330138 0.000000\n1.922656 3.330138 -0.000000\n0.000000 -0.000000 7.114373\nSr Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.611896 Mn\n0.333334 0.666668 0.388103 Mn\n0.666668 0.333334 0.293041 P\n0.333334 0.666668 0.706959 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"P"
],
"chemical_system": "Mn-P-Sr",
"density": 4.728916412121197,
"density_atomic": 0.054883216909531386,
"volume": 91.10253154879605,
"volume_molar": 10.972645371583813,
"formula_full": "Sr1 Mn2 P2",
"formula_reduced": "Sr(MnP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.820898358551724,
"spacegroup": 164
},
{
"id": "jvasp-36064",
"created_at": "2022-09-04T14:37:17.401569Z",
"updated_at": "2022-09-04T14:37:17.401590Z",
"structure_string": "Sm2 Mn12 P7\n1.0\n0.000000 9.332538 0.000552\n3.645639 0.000000 0.000000\n0.000000 -4.665617 -8.082270\nSm Mn P\n2 12 7\ndirect\n0.666664 0.500000 0.333332 Sm\n0.333332 0.000000 0.666667 Sm\n0.895228 0.500000 0.121921 Mn\n0.226690 0.500000 0.104770 Mn\n0.878082 0.500000 0.773309 Mn\n0.392951 0.500000 0.437165 Mn\n0.044212 0.500000 0.607048 Mn\n0.562837 0.500000 0.955788 Mn\n0.155159 0.000000 0.274699 Mn\n0.119539 0.000000 0.844838 Mn\n0.952133 0.000000 0.375542 Mn\n0.423408 0.000000 0.047868 Mn\n0.624459 0.000000 0.576594 Mn\n0.725305 0.000000 0.880463 Mn\n0.408273 0.000000 0.291825 P\n0.279756 0.500000 0.875619 P\n0.124381 0.500000 0.404137 P\n0.595863 0.500000 0.720245 P\n0.000001 0.000000 -0.000000 P\n0.883550 0.000000 0.591725 P\n0.708180 0.000000 0.116454 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sm",
"Mn",
"P"
],
"chemical_system": "Mn-P-Sm",
"density": 7.106523116557522,
"density_atomic": 0.07637080008990174,
"volume": 274.97420447709516,
"volume_molar": 7.885396974905187,
"formula_full": "Sm2 Mn12 P7",
"formula_reduced": "Sm2Mn12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 4.481935387931034,
"spacegroup": 174
},
{
"id": "jvasp-101064",
"created_at": "2022-09-04T14:36:58.976196Z",
"updated_at": "2022-09-04T14:36:58.976215Z",
"structure_string": "Mn2 Si2 P4\n1.0\n4.982353 0.008547 -4.120694\n-1.098301 4.859800 -4.120694\n-0.006819 -0.008547 6.465595\nMn Si P\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Mn\n0.500000 0.500000 0.000001 Mn\n0.749999 0.250000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.642079 0.625000 0.517080 P\n0.107920 0.125000 0.482920 P\n0.375000 0.892080 0.017081 P\n0.874999 0.357920 0.982920 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Si",
"P"
],
"chemical_system": "Mn-P-Si",
"density": 3.0810849377367098,
"density_atomic": 0.05119566910271847,
"volume": 156.26321796769335,
"volume_molar": 11.762988677650132,
"formula_full": "Mn2 Si2 P4",
"formula_reduced": "MnSiP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.305039210344828,
"spacegroup": 122
},
{
"id": "jvasp-4609",
"created_at": "2022-09-04T14:36:17.762156Z",
"updated_at": "2022-09-04T14:36:17.762189Z",
"structure_string": "Mn2 P2 Se6\n1.0\n5.791033 -0.000322 4.932609\n2.277772 5.324264 4.932613\n-0.000492 -0.000330 7.607016\nMn P Se\n2 2 6\ndirect\n0.832472 0.832472 0.832473 Mn\n0.167527 0.167527 0.167528 Mn\n0.556344 0.556344 0.556344 P\n0.443656 0.443656 0.443656 P\n0.412416 0.754359 0.078167 Se\n0.078167 0.412416 0.754360 Se\n0.754359 0.078167 0.412417 Se\n0.587584 0.245641 0.921834 Se\n0.921833 0.587584 0.245641 Se\n0.245640 0.921833 0.587584 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"P",
"Se"
],
"chemical_system": "Mn-P-Se",
"density": 4.570111553031698,
"density_atomic": 0.04263096905487761,
"volume": 234.571257039156,
"volume_molar": 14.126211281399385,
"formula_full": "Mn2 P2 Se6",
"formula_reduced": "MnPSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3841845682758613,
"spacegroup": 148
},
{
"id": "jvasp-4603",
"created_at": "2022-09-04T14:35:59.287184Z",
"updated_at": "2022-09-04T14:35:59.287200Z",
"structure_string": "Mn2 P2 S6\n1.0\n5.995433 0.000510 -0.900892\n-3.201087 5.069346 -0.900892\n0.001377 0.002498 6.767986\nMn P S\n2 2 6\ndirect\n0.332534 0.667466 0.000000 Mn\n0.667465 0.332535 0.000000 Mn\n0.057123 0.057123 0.171705 P\n0.942877 0.942878 0.828296 P\n0.410172 0.082898 0.251297 S\n0.917102 0.589829 0.748704 S\n0.245247 0.245248 0.751010 S\n0.754753 0.754754 0.248991 S\n0.589828 0.917103 0.748704 S\n0.082898 0.410172 0.251297 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"P",
"S"
],
"chemical_system": "Mn-P-S",
"density": 2.9396324997715637,
"density_atomic": 0.04860576327169572,
"volume": 205.73691938756645,
"volume_molar": 12.389766880806981,
"formula_full": "Mn2 P2 S6",
"formula_reduced": "MnPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.668412548275862,
"spacegroup": 12
},
{
"id": "jvasp-90870",
"created_at": "2022-09-04T14:36:00.764666Z",
"updated_at": "2022-09-04T14:36:00.764689Z",
"structure_string": "Pr2 Mn2 Si4\n1.0\n0.000000 -0.000000 -4.013867\n-4.119194 0.000000 0.000000\n2.059597 8.857040 -0.000000\nPr Mn Si\n2 2 4\ndirect\n0.750001 0.102006 0.204011 Pr\n0.250000 0.897992 0.795989 Pr\n0.750001 0.750295 0.500592 Mn\n0.250000 0.249703 0.499408 Mn\n0.750001 0.319805 0.639611 Si\n0.250000 0.680194 0.360389 Si\n0.750001 0.463011 0.926025 Si\n0.250000 0.536987 0.073975 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Pr-Si",
"density": 5.715372945803948,
"density_atomic": 0.05462936554647164,
"volume": 146.44138587321922,
"volume_molar": 11.02363298522502,
"formula_full": "Pr2 Mn2 Si4",
"formula_reduced": "PrMnSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.907326072844827,
"spacegroup": 63
},
{
"id": "jvasp-15573",
"created_at": "2022-09-04T14:36:59.570170Z",
"updated_at": "2022-09-04T14:36:59.570189Z",
"structure_string": "Pr1 Mn2 Si2\n1.0\n3.760589 -0.000000 -1.341228\n-0.478355 3.730042 -1.341228\n0.017524 0.019914 5.991793\nPr Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.749999 0.499999 Mn\n0.750000 0.249999 0.499999 Mn\n0.627187 0.627186 0.254373 Si\n0.372813 0.372812 0.745626 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
"Si"
],
"chemical_system": "Mn-Pr-Si",
"density": 6.050067886694183,
"density_atomic": 0.05934809873569478,
"volume": 84.24869720371954,
"volume_molar": 10.14715026814835,
"formula_full": "Pr1 Mn2 Si2",
"formula_reduced": "Pr(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.401234306551723,
"spacegroup": 139
},
{
"id": "jvasp-7965",
"created_at": "2022-09-04T14:37:04.110680Z",
"updated_at": "2022-09-04T14:37:04.110717Z",
"structure_string": "Pr2 Mn2 Si2\n1.0\n4.029875 0.000000 0.000000\n0.000000 4.029875 0.000000\n0.000000 -0.000000 7.399524\nPr Mn Si\n2 2 2\ndirect\n0.499999 0.000000 0.328740 Pr\n0.000000 0.499999 0.671259 Pr\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.499999 0.000000 0.818082 Si\n0.000000 0.499999 0.181918 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Si"
],
"chemical_system": "Mn-Pr-Si",
"density": 6.188804404880312,
"density_atomic": 0.04993031624090195,
"volume": 120.16747442678755,
"volume_molar": 12.061090762863582,
"formula_full": "Pr2 Mn2 Si2",
"formula_reduced": "PrMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.53672523045977,
"spacegroup": 129
}
]
}