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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=691",
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"results": [
{
"id": "jvasp-14663",
"created_at": "2022-09-04T14:35:58.456205Z",
"updated_at": "2022-09-04T14:35:58.456237Z",
"structure_string": "U2 Mn4\n1.0\n4.279961 0.000000 2.471037\n1.426653 4.035186 2.471037\n-0.000000 -0.000000 4.942073\nU Mn\n2 4\ndirect\n0.874999 0.875001 0.875001 U\n0.125000 0.125000 0.125000 U\n0.499999 0.500001 0.500000 Mn\n0.499999 0.500001 0.000001 Mn\n-0.000001 0.500001 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n",
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"elements": [
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"Mn"
],
"chemical_system": "Mn-U",
"density": 13.537149887953849,
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"volume": 85.35176883570641,
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"formula_full": "U2 Mn4",
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"spacegroup": 227
},
{
"id": "jvasp-86090",
"created_at": "2022-09-04T14:36:07.201224Z",
"updated_at": "2022-09-04T14:36:07.201267Z",
"structure_string": "U12 Mn2\n1.0\n5.021917 0.000000 1.808300\n2.510958 7.184908 0.904150\n0.076802 0.000000 7.664163\nU Mn\n12 2\ndirect\n0.098642 0.683660 0.119058 U\n0.901358 0.316340 0.880942 U\n0.093670 0.312659 0.500000 U\n0.593671 0.500000 0.312658 U\n0.598642 0.119058 0.683659 U\n0.282301 0.316340 0.119058 U\n0.782301 0.119058 0.316340 U\n0.906330 0.687342 0.500000 U\n0.401358 0.880943 0.316340 U\n0.217699 0.880943 0.683659 U\n0.406330 0.500000 0.687341 U\n0.717700 0.683660 0.880942 U\n0.250000 0.000000 -0.000000 Mn\n0.750000 0.000000 -0.000000 Mn\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Mn-U",
"density": 17.875876400737667,
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"volume": 275.540570875148,
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"formula_reduced": "U6Mn",
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"spacegroup": 140
},
{
"id": "jvasp-37589",
"created_at": "2022-09-04T14:38:11.416353Z",
"updated_at": "2022-09-04T14:38:11.416369Z",
"structure_string": "Tm1 Mn12\n1.0\n-4.116774 4.116774 2.277606\n4.116774 -4.116774 2.277606\n4.116774 4.116774 -2.277606\nTm Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Mn\n0.000000 0.000000 0.500001 Mn\n0.500002 1.000000 0.000000 Mn\n1.000000 0.500002 0.000000 Mn\n-0.000000 0.364349 0.364349 Mn\n0.000000 0.635650 0.635650 Mn\n0.635650 0.000000 0.635650 Mn\n0.364349 -0.000000 0.364349 Mn\n0.499999 0.275532 0.775532 Mn\n0.500001 0.724467 0.224466 Mn\n0.724467 0.500001 0.224466 Mn\n0.275532 0.499999 0.775532 Mn\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Tm",
"Mn"
],
"chemical_system": "Mn-Tm",
"density": 8.906905230348231,
"density_atomic": 0.08419585484041656,
"volume": 154.40190048120525,
"volume_molar": 7.152538294687153,
"formula_full": "Tm1 Mn12",
"formula_reduced": "TmMn12",
"formula_anonymous": "AB12",
"energy_above_hull": 4.931567011273209,
"spacegroup": 139
},
{
"id": "jvasp-38264",
"created_at": "2022-09-04T14:36:06.246822Z",
"updated_at": "2022-09-04T14:36:06.246848Z",
"structure_string": "Mn2 Tl6\n1.0\n3.348836 -5.800355 0.000000\n3.348836 5.800355 -0.000000\n0.000000 0.000000 5.336158\nMn Tl\n2 6\ndirect\n0.333334 0.666667 0.750000 Mn\n0.666667 0.333334 0.250000 Mn\n0.657062 0.828531 0.250000 Tl\n0.171470 0.828531 0.250000 Tl\n0.171470 0.342939 0.250000 Tl\n0.342939 0.171470 0.750000 Tl\n0.828531 0.171470 0.750000 Tl\n0.828531 0.657062 0.750000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Tl"
],
"chemical_system": "Mn-Tl",
"density": 10.703001797154183,
"density_atomic": 0.038590717812918916,
"volume": 207.30373658200938,
"volume_molar": 15.605153522135273,
"formula_full": "Mn2 Tl6",
"formula_reduced": "MnTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6912487603448275,
"spacegroup": 194
},
{
"id": "jvasp-39141",
"created_at": "2022-09-04T14:37:58.794283Z",
"updated_at": "2022-09-04T14:37:58.794321Z",
"structure_string": "Mn3 Tl1\n1.0\n4.006745 -0.000000 0.000000\n0.000000 4.006745 -0.000000\n-0.000000 0.000000 4.006745\nMn Tl\n3 1\ndirect\n0.000000 0.499999 0.499999 Mn\n0.499999 0.000000 0.499999 Mn\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Tl"
],
"chemical_system": "Mn-Tl",
"density": 9.530872540627588,
"density_atomic": 0.06218489142549223,
"volume": 64.32430624716392,
"volume_molar": 9.684250662744212,
"formula_full": "Mn3 Tl1",
"formula_reduced": "Mn3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 3.164441081034482,
"spacegroup": 221
},
{
"id": "jvasp-79988",
"created_at": "2022-09-04T14:36:53.040332Z",
"updated_at": "2022-09-04T14:36:53.040361Z",
"structure_string": "Ti1 Mn2 W1\n1.0\n-0.000000 2.973901 2.973901\n2.973901 0.000000 2.973901\n2.973901 2.973901 -0.000000\nTi Mn W\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Ti\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500001 Mn\n0.750000 0.750000 0.750000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"W"
],
"chemical_system": "Mn-Ti-W",
"density": 10.782909094350424,
"density_atomic": 0.07604146492252054,
"volume": 52.60287928534311,
"volume_molar": 7.9195485859406105,
"formula_full": "Ti1 Mn2 W1",
"formula_reduced": "TiMn2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.978115704022988,
"spacegroup": 225
},
{
"id": "jvasp-39672",
"created_at": "2022-09-04T14:37:46.499249Z",
"updated_at": "2022-09-04T14:37:46.499273Z",
"structure_string": "Ti1 Mn2 V1\n1.0\n0.000008 2.914735 2.914737\n2.914734 0.000007 2.914738\n2.914732 2.914734 0.000009\nTi Mn V\n1 2 1\ndirect\n0.250002 0.250001 0.250000 Ti\n0.000003 0.999998 0.000000 Mn\n0.500000 0.500001 0.499999 Mn\n0.750003 0.750001 0.749999 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"V"
],
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"density": 6.997034934991712,
"density_atomic": 0.08076711231187551,
"volume": 49.52510849409016,
"volume_molar": 7.4561793626420645,
"formula_full": "Ti1 Mn2 V1",
"formula_reduced": "TiMn2V",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.086419254022989,
"spacegroup": 225
},
{
"id": "jvasp-20252",
"created_at": "2022-09-04T14:37:51.466923Z",
"updated_at": "2022-09-04T14:37:51.466943Z",
"structure_string": "Ti4 Mn8\n1.0\n2.360605 -4.088688 -0.000000\n2.360605 4.088688 -0.000000\n-0.000000 0.000000 7.799919\nTi Mn\n4 8\ndirect\n0.333334 0.666668 0.437003 Ti\n0.666668 0.333334 0.937003 Ti\n0.666668 0.333334 0.562997 Ti\n0.333334 0.666668 0.062997 Ti\n0.655431 0.827716 0.750000 Mn\n0.344571 0.172286 0.250000 Mn\n0.827716 0.172286 0.250000 Mn\n0.172286 0.344571 0.750000 Mn\n0.172286 0.827716 0.750000 Mn\n0.827716 0.655431 0.250000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Mn"
],
"chemical_system": "Mn-Ti",
"density": 6.958763070272373,
"density_atomic": 0.07969918188965115,
"volume": 150.56616285741555,
"volume_molar": 7.556088553503668,
"formula_full": "Ti4 Mn8",
"formula_reduced": "TiMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5463676053639848,
"spacegroup": 194
},
{
"id": "jvasp-103695",
"created_at": "2022-09-04T14:36:51.209837Z",
"updated_at": "2022-09-04T14:36:51.209869Z",
"structure_string": "Mn1 Zn1 Te2\n1.0\n4.232320 0.006005 6.368944\n1.927657 3.767852 6.368944\n0.009802 0.006005 7.646953\nMn Zn Te\n1 1 2\ndirect\n0.000500 0.000500 0.000500 Mn\n0.499935 0.499936 0.499934 Zn\n0.125889 0.125889 0.125889 Te\n0.623675 0.623677 0.623674 Te\n",
"nsites": 4,
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"elements": [
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"Zn",
"Te"
],
"chemical_system": "Mn-Te-Zn",
"density": 5.131221026159018,
"density_atomic": 0.03291298463113184,
"volume": 121.53258189220757,
"volume_molar": 18.29715787702753,
"formula_full": "Mn1 Zn1 Te2",
"formula_reduced": "MnZnTe2",
"formula_anonymous": "ABC2",
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"spacegroup": 160
},
{
"id": "jvasp-107544",
"created_at": "2022-09-04T14:36:58.520441Z",
"updated_at": "2022-09-04T14:36:58.520457Z",
"structure_string": "Mn1 Zn1 Te2\n1.0\n4.404519 -0.000000 0.000000\n0.000000 4.404519 0.000000\n-0.000000 -0.000000 6.259046\nMn Zn Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Zn\n-0.000000 0.500000 0.254302 Te\n0.500000 0.000000 0.745699 Te\n",
"nsites": 4,
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"elements": [
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"Zn",
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"volume": 121.42416311232905,
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"formula_full": "Mn1 Zn1 Te2",
"formula_reduced": "MnZnTe2",
"formula_anonymous": "ABC2",
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"spacegroup": 115
},
{
"id": "jvasp-109569",
"created_at": "2022-09-04T14:38:04.112537Z",
"updated_at": "2022-09-04T14:38:04.112564Z",
"structure_string": "Mn3 Te1\n1.0\n3.656880 -0.000000 2.111301\n1.218960 3.447740 2.111301\n-0.000000 -0.000000 4.222601\nMn Te\n3 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.749999 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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"density": 9.120574531004957,
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"volume": 53.238432857808576,
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"formula_full": "Mn3 Te1",
"formula_reduced": "Mn3Te",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-14699",
"created_at": "2022-09-04T14:36:03.948176Z",
"updated_at": "2022-09-04T14:36:03.948197Z",
"structure_string": "Mn2 Te2\n1.0\n2.103543 -3.643443 -0.000000\n2.103543 3.643443 0.000000\n-0.000000 0.000000 5.948124\nMn Te\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666666 0.750000 Te\n0.666666 0.333333 0.250000 Te\n",
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"elements": [
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"density": 6.6490424394108265,
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"volume": 91.17449847113551,
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"formula_full": "Mn2 Te2",
"formula_reduced": "MnTe",
"formula_anonymous": "AB",
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"spacegroup": 194
}
]
}