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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4056",
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"results": [
{
"id": "jvasp-19955",
"created_at": "2022-09-04T14:37:35.830741Z",
"updated_at": "2022-09-04T14:37:35.830762Z",
"structure_string": "Mo5 As4\n1.0\n3.216954 0.000000 0.778166\n1.608477 6.846620 0.389083\n-0.001262 -0.000000 7.043777\nMo As\n5 4\ndirect\n0.700608 0.919991 0.678796 Mo\n0.379403 0.321204 0.919991 Mo\n0.620598 0.678796 0.080009 Mo\n0.299393 0.080009 0.321204 Mo\n0.000000 0.000000 0.000000 Mo\n0.942806 0.771043 0.343347 As\n0.286152 0.656653 0.771043 As\n0.713848 0.343347 0.228957 As\n0.057195 0.228957 0.656653 As\n",
"nsites": 9,
"nelements": 2,
"elements": [
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"As"
],
"chemical_system": "As-Mo",
"density": 8.341735704562241,
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"volume": 155.14775473753173,
"volume_molar": 10.381351306970808,
"formula_full": "Mo5 As4",
"formula_reduced": "Mo5As4",
"formula_anonymous": "A4B5",
"energy_above_hull": 5.129262944444445,
"spacegroup": 87
},
{
"id": "jvasp-38267",
"created_at": "2022-09-04T14:36:15.185368Z",
"updated_at": "2022-09-04T14:36:15.185385Z",
"structure_string": "Mn2 Zn6\n1.0\n2.736774 -4.740231 0.000000\n2.736774 4.740231 0.000000\n0.000000 0.000000 4.335772\nMn Zn\n2 6\ndirect\n0.666666 0.333332 0.750000 Mn\n0.333332 0.666666 0.250000 Mn\n0.831427 0.168572 0.250000 Zn\n0.831426 0.662855 0.250000 Zn\n0.337144 0.168572 0.250000 Zn\n0.168572 0.831427 0.750000 Zn\n0.168572 0.337144 0.750000 Zn\n0.662855 0.831426 0.750000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Zn"
],
"chemical_system": "Mn-Zn",
"density": 7.414867887407864,
"density_atomic": 0.0711140009951707,
"volume": 112.49542829889819,
"volume_molar": 8.468291300905653,
"formula_full": "Mn2 Zn6",
"formula_reduced": "MnZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0038499999999999,
"spacegroup": 194
},
{
"id": "jvasp-39185",
"created_at": "2022-09-04T14:37:03.692920Z",
"updated_at": "2022-09-04T14:37:03.692938Z",
"structure_string": "Mn3 Zn1\n1.0\n-1.748093 1.748093 3.798417\n1.748093 -1.748093 3.798417\n1.748093 1.748093 -3.798417\nMn Zn\n3 1\ndirect\n0.749999 0.250001 0.499999 Mn\n0.250001 0.749999 0.499999 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Zn"
],
"chemical_system": "Mn-Zn",
"density": 8.233914654647005,
"density_atomic": 0.0861525807530105,
"volume": 46.42925336697154,
"volume_molar": 6.990087478940163,
"formula_full": "Mn3 Zn1",
"formula_reduced": "Mn3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 2.87620566091954,
"spacegroup": 139
},
{
"id": "jvasp-16579",
"created_at": "2022-09-04T14:38:01.702865Z",
"updated_at": "2022-09-04T14:38:01.702890Z",
"structure_string": "Mn1 Zn3\n1.0\n3.812552 -0.000000 -0.000000\n-0.000000 3.812552 -0.000000\n0.000000 -0.000000 3.812552\nMn Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Zn"
],
"chemical_system": "Mn-Zn",
"density": 7.525943748505747,
"density_atomic": 0.07217929966489733,
"volume": 55.41755071842715,
"volume_molar": 8.343307275020186,
"formula_full": "Mn1 Zn3",
"formula_reduced": "MnZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-16578",
"created_at": "2022-09-04T14:38:02.117946Z",
"updated_at": "2022-09-04T14:38:02.117978Z",
"structure_string": "Mn1 Zn1\n1.0\n2.989805 -0.000000 -0.000000\n-0.000000 2.989805 -0.000000\n0.000000 0.000000 2.989805\nMn Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500001 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Zn"
],
"chemical_system": "Mn-Zn",
"density": 7.477491654620624,
"density_atomic": 0.07483442122141391,
"volume": 26.725669382576836,
"volume_molar": 8.047287146355,
"formula_full": "Mn1 Zn1",
"formula_reduced": "MnZn",
"formula_anonymous": "AB",
"energy_above_hull": 1.0310040804597702,
"spacegroup": 221
},
{
"id": "jvasp-104715",
"created_at": "2022-09-04T14:36:56.908566Z",
"updated_at": "2022-09-04T14:36:56.908594Z",
"structure_string": "Mn1 Zn3\n1.0\n2.704276 -0.000000 0.000000\n-1.352137 2.341972 0.000000\n0.000000 -0.000000 8.776131\nMn Zn\n1 3\ndirect\n0.666667 0.333333 -0.000000 Mn\n0.666667 0.333333 0.500000 Zn\n0.333333 0.666666 0.239051 Zn\n0.333333 0.666666 0.760949 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Zn"
],
"chemical_system": "Mn-Zn",
"density": 7.5036485680074,
"density_atomic": 0.07196547259309752,
"volume": 55.582209855225145,
"volume_molar": 8.368097287500625,
"formula_full": "Mn1 Zn3",
"formula_reduced": "MnZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0178875,
"spacegroup": 187
},
{
"id": "jvasp-122947",
"created_at": "2022-09-04T14:38:53.513831Z",
"updated_at": "2022-09-04T14:38:53.513858Z",
"structure_string": "Mn1 V1\n1.0\n2.863879 -0.000000 -0.000000\n0.000000 2.863879 0.000000\n0.000000 0.000000 2.863879\nMn V\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"V"
],
"chemical_system": "Mn-V",
"density": 7.485092454696335,
"density_atomic": 0.08514634319475523,
"volume": 23.488971163745695,
"volume_molar": 7.072694532782879,
"formula_full": "Mn1 V1",
"formula_reduced": "MnV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-41225",
"created_at": "2022-09-04T14:37:39.426411Z",
"updated_at": "2022-09-04T14:37:39.426431Z",
"structure_string": "Mn1 V3\n1.0\n-0.000000 2.920460 2.920460\n2.920460 -0.000000 2.920460\n2.920460 2.920460 -0.000000\nMn V\n1 3\ndirect\n0.750001 0.750001 0.750001 Mn\n0.000000 0.000000 0.000000 V\n0.499999 0.499999 0.499999 V\n0.250000 0.250000 0.250000 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"V"
],
"chemical_system": "Mn-V",
"density": 6.925204003577969,
"density_atomic": 0.08029272709510615,
"volume": 49.81771257142666,
"volume_molar": 7.500231936158823,
"formula_full": "Mn1 V3",
"formula_reduced": "MnV3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.282354960344827,
"spacegroup": 225
},
{
"id": "jvasp-99954",
"created_at": "2022-09-04T14:36:32.381965Z",
"updated_at": "2022-09-04T14:36:32.381992Z",
"structure_string": "Mn1 V1\n1.0\n2.527396 -0.000906 0.000000\n-0.895649 2.363376 0.000000\n0.000000 0.000000 3.961350\nMn V\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"V"
],
"chemical_system": "Mn-V",
"density": 7.431403391522464,
"density_atomic": 0.0845356055951229,
"volume": 23.65867004701964,
"volume_molar": 7.123792060877405,
"formula_full": "Mn1 V1",
"formula_reduced": "MnV",
"formula_anonymous": "AB",
"energy_above_hull": 2.7906707206896546,
"spacegroup": 65
},
{
"id": "jvasp-14652",
"created_at": "2022-09-04T14:36:37.149993Z",
"updated_at": "2022-09-04T14:36:37.150018Z",
"structure_string": "Mn1 V1\n1.0\n2.867231 0.000000 0.000000\n0.000000 2.867231 0.000000\n-0.000000 -0.000000 2.867231\nMn V\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"V"
],
"chemical_system": "Mn-V",
"density": 7.458871292938623,
"density_atomic": 0.08484806551127966,
"volume": 23.571545066447285,
"volume_molar": 7.097558116041456,
"formula_full": "Mn1 V1",
"formula_reduced": "MnV",
"formula_anonymous": "AB",
"energy_above_hull": 2.7184907206896547,
"spacegroup": 221
},
{
"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": [
"Mn",
"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-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": [
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"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
}
]
}