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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4099",
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"results": [
{
"id": "jvasp-108650",
"created_at": "2022-09-04T14:38:05.790809Z",
"updated_at": "2022-09-04T14:38:05.790834Z",
"structure_string": "Mg6 Pb2\n1.0\n6.428599 -0.000000 0.000000\n-3.214299 5.567331 0.000000\n-0.000000 0.000000 5.299198\nMg Pb\n6 2\ndirect\n0.163355 0.326711 0.250000 Mg\n0.163355 0.836644 0.250000 Mg\n0.673289 0.836645 0.250000 Mg\n0.326711 0.163355 0.750000 Mg\n0.836645 0.163355 0.750000 Mg\n0.836645 0.673289 0.750000 Mg\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 4.9050329928387235,
"density_atomic": 0.04218096014212284,
"volume": 189.6590303550493,
"volume_molar": 14.276917215040248,
"formula_full": "Mg6 Pb2",
"formula_reduced": "Mg3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.080535082,
"spacegroup": 194
},
{
"id": "jvasp-79048",
"created_at": "2022-09-04T14:36:43.707194Z",
"updated_at": "2022-09-04T14:36:43.707204Z",
"structure_string": "Mg1 Pb3\n1.0\n-2.416827 2.416827 5.003539\n2.416827 -2.416827 5.003539\n2.416827 2.416827 -5.003539\nMg Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Pb\n0.750000 0.250000 0.500001 Pb\n0.250000 0.750000 0.500001 Pb\n",
"nsites": 4,
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"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 9.174646401760544,
"density_atomic": 0.03421618477870467,
"volume": 116.90374090127969,
"volume_molar": 17.60026957695189,
"formula_full": "Mg1 Pb3",
"formula_reduced": "MgPb3",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-103615",
"created_at": "2022-09-04T14:36:41.861054Z",
"updated_at": "2022-09-04T14:36:41.861081Z",
"structure_string": "Mg2 Pb2\n1.0\n5.783306 -0.040595 1.596405\n4.743670 3.308454 1.596405\n-0.058293 -0.018096 5.418349\nMg Pb\n2 2\ndirect\n0.130043 0.130041 0.685936 Mg\n0.869960 0.869958 0.314062 Mg\n0.382176 0.382173 0.799668 Pb\n0.617826 0.617825 0.200331 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 7.31825223853895,
"density_atomic": 0.03807394666456175,
"volume": 105.0587173229167,
"volume_molar": 15.81695959459137,
"formula_full": "Mg2 Pb2",
"formula_reduced": "MgPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.213490328,
"spacegroup": 12
},
{
"id": "jvasp-79046",
"created_at": "2022-09-04T14:36:42.873305Z",
"updated_at": "2022-09-04T14:36:42.873337Z",
"structure_string": "Mg1 Pa3\n1.0\n-2.305802 2.305802 4.594735\n2.305802 -2.305802 4.594735\n2.305802 2.305802 -4.594735\nMg Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.000000 Pa\n0.749998 0.250000 0.499999 Pa\n0.250000 0.749998 0.499999 Pa\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pa"
],
"chemical_system": "Mg-Pa",
"density": 12.191401624933784,
"density_atomic": 0.04093506725636492,
"volume": 97.71573049945452,
"volume_molar": 14.711447088348507,
"formula_full": "Mg1 Pa3",
"formula_reduced": "MgPa3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.416157087500001,
"spacegroup": 139
},
{
"id": "jvasp-79096",
"created_at": "2022-09-04T14:37:12.131245Z",
"updated_at": "2022-09-04T14:37:12.131263Z",
"structure_string": "Mg3 Pa1\n1.0\n0.000089 3.613453 3.613487\n3.613571 0.000066 3.613510\n3.613546 3.613451 0.000090\nMg Pa\n3 1\ndirect\n-0.000000 0.999998 0.999997 Mg\n0.250000 0.249999 0.249998 Mg\n0.500002 0.500002 0.500005 Mg\n0.749999 0.750004 0.750002 Pa\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pa"
],
"chemical_system": "Mg-Pa",
"density": 5.348745957330921,
"density_atomic": 0.04238961381609971,
"volume": 94.36273747039392,
"volume_molar": 14.206642188640963,
"formula_full": "Mg3 Pa1",
"formula_reduced": "Mg3Pa",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6433325625,
"spacegroup": 225
},
{
"id": "jvasp-9150",
"created_at": "2022-09-04T14:37:07.101593Z",
"updated_at": "2022-09-04T14:37:07.101612Z",
"structure_string": "Mg2 P8\n1.0\n0.000000 5.177277 0.016382\n5.123506 0.000000 0.000000\n0.000000 -1.152457 -7.514633\nMg P\n2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.249894 0.294698 0.253453 P\n0.750107 0.794698 0.246547 P\n0.750106 0.705303 0.746547 P\n0.249893 0.205303 0.753453 P\n0.395410 0.888365 0.598242 P\n0.604589 0.388365 0.901757 P\n0.604590 0.111636 0.401758 P\n0.395411 0.611636 0.098242 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mg",
"P"
],
"chemical_system": "Mg-P",
"density": 2.470368904443199,
"density_atomic": 0.0501919853522081,
"volume": 199.23499598248247,
"volume_molar": 11.998211901245439,
"formula_full": "Mg2 P8",
"formula_reduced": "MgP4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.27876021,
"spacegroup": 14
},
{
"id": "jvasp-10204",
"created_at": "2022-09-04T14:38:15.130004Z",
"updated_at": "2022-09-04T14:38:15.130019Z",
"structure_string": "Mg6 P4\n1.0\n6.014290 0.000000 -0.000000\n-0.000000 6.014290 0.000000\n0.000000 -0.000000 6.014290\nMg P\n6 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.250000 0.250000 0.250000 P\n0.750000 0.250000 0.750000 P\n0.750000 0.750000 0.250000 P\n0.250000 0.750000 0.750000 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mg",
"P"
],
"chemical_system": "Mg-P",
"density": 2.0588147956240515,
"density_atomic": 0.045967078675997926,
"volume": 217.54699859187656,
"volume_molar": 13.100986474358026,
"formula_full": "Mg6 P4",
"formula_reduced": "Mg3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.60403563,
"spacegroup": 224
},
{
"id": "jvasp-37203",
"created_at": "2022-09-04T14:38:07.334063Z",
"updated_at": "2022-09-04T14:38:07.334092Z",
"structure_string": "Mg3 P3\n1.0\n-4.586266 1.247521 -1.207418\n-1.212748 -4.595584 1.207418\n-0.614201 1.063827 4.741029\nMg P\n3 3\ndirect\n0.205809 0.166501 0.372707 Mg\n0.833171 0.539142 0.627293 Mg\n0.460864 0.794196 1.000000 Mg\n0.709809 0.290390 0.123417 P\n0.333296 0.666627 0.500001 P\n0.957055 0.043142 0.876583 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"P"
],
"chemical_system": "Mg-P",
"density": 2.3530692054565683,
"density_atomic": 0.05126928847711113,
"volume": 117.02912558809285,
"volume_molar": 11.746097788520215,
"formula_full": "Mg3 P3",
"formula_reduced": "MgP",
"formula_anonymous": "AB",
"energy_above_hull": 0.4579122750000001,
"spacegroup": 155
},
{
"id": "jvasp-20775",
"created_at": "2022-09-04T14:37:41.987962Z",
"updated_at": "2022-09-04T14:37:41.987985Z",
"structure_string": "Mg24 P16\n1.0\n9.841071 0.000000 -3.479344\n-4.920535 8.522617 -3.479344\n-0.000000 0.000000 10.438031\nMg P\n24 16\ndirect\n0.525932 0.766449 0.533262 Mg\n0.025932 0.492671 0.759484 Mg\n0.233187 0.266449 0.740516 Mg\n0.266813 0.007329 0.033262 Mg\n0.233551 0.466739 0.474068 Mg\n0.759484 0.025932 0.492671 Mg\n0.266448 0.740517 0.233187 Mg\n0.033261 0.266813 0.007329 Mg\n0.492671 0.759484 0.025933 Mg\n0.740516 0.233187 0.266449 Mg\n0.007329 0.033261 0.266813 Mg\n0.474068 0.233552 0.466739 Mg\n0.466738 0.474068 0.233552 Mg\n0.766813 0.733552 0.259484 Mg\n0.974068 0.507329 0.240517 Mg\n0.992670 0.966739 0.733188 Mg\n0.259483 0.766813 0.733552 Mg\n0.966738 0.733187 0.992671 Mg\n0.507329 0.240516 0.974068 Mg\n0.240516 0.974068 0.507330 Mg\n0.533261 0.525932 0.766449 Mg\n0.766448 0.533262 0.525933 Mg\n0.733187 0.992671 0.966739 Mg\n0.733551 0.259484 0.766813 Mg\n0.773558 0.023558 0.750000 P\n0.976442 0.250000 0.226443 P\n0.476442 0.250000 0.726443 P\n0.726442 0.476443 0.250000 P\n0.750000 0.773558 0.023558 P\n0.750000 0.273558 0.523558 P\n0.226442 0.976443 0.250000 P\n0.500000 0.000000 0.000000 P\n0.273557 0.523558 0.750000 P\n0.250000 0.226442 0.976442 P\n-0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.500000 P\n0.023557 0.750000 0.773558 P\n0.523557 0.750000 0.273558 P\n0.250000 0.726443 0.476443 P\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Mg",
"P"
],
"chemical_system": "Mg-P",
"density": 2.0464279012186046,
"density_atomic": 0.04569051696151216,
"volume": 875.4551854533486,
"volume_molar": 13.180285889679926,
"formula_full": "Mg24 P16",
"formula_reduced": "Mg3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.56638163,
"spacegroup": 206
},
{
"id": "jvasp-102532",
"created_at": "2022-09-04T14:36:56.980526Z",
"updated_at": "2022-09-04T14:36:56.980553Z",
"structure_string": "Mg2 Os2\n1.0\n2.818825 0.000000 0.000000\n0.000000 4.521215 0.000000\n-0.000000 0.000000 4.961200\nMg Os\n2 2\ndirect\n-0.000000 0.250000 0.649444 Mg\n-0.000000 0.749999 0.350556 Mg\n0.499999 0.749999 0.874233 Os\n0.499999 0.250000 0.125767 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Os"
],
"chemical_system": "Mg-Os",
"density": 11.26852930294669,
"density_atomic": 0.0632630290106331,
"volume": 63.22808222362684,
"volume_molar": 9.519210278388366,
"formula_full": "Mg2 Os2",
"formula_reduced": "MgOs",
"formula_anonymous": "AB",
"energy_above_hull": 1.7966120250000002,
"spacegroup": 51
},
{
"id": "jvasp-37201",
"created_at": "2022-09-04T14:38:07.275973Z",
"updated_at": "2022-09-04T14:38:07.275999Z",
"structure_string": "Mg3 Os1\n1.0\n-2.096425 2.096425 3.898599\n2.096425 -2.096425 3.898599\n2.096425 2.096425 -3.898599\nMg Os\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750003 0.250000 0.500003 Mg\n0.250000 0.750003 0.500003 Mg\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Os"
],
"chemical_system": "Mg-Os",
"density": 6.375540389994367,
"density_atomic": 0.058362350282740935,
"volume": 68.53733581018739,
"volume_molar": 10.318537089108428,
"formula_full": "Mg3 Os1",
"formula_reduced": "Mg3Os",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8737330375000001,
"spacegroup": 139
},
{
"id": "jvasp-99472",
"created_at": "2022-09-04T14:36:05.582065Z",
"updated_at": "2022-09-04T14:36:05.582092Z",
"structure_string": "Mg6 Os2\n1.0\n5.870706 0.000000 0.000000\n-2.935353 5.084181 0.000000\n-0.000000 -0.000000 4.660699\nMg Os\n6 2\ndirect\n0.175618 0.351237 0.250000 Mg\n0.175619 0.824382 0.250000 Mg\n0.648763 0.824382 0.250000 Mg\n0.351238 0.175618 0.750000 Mg\n0.824382 0.175618 0.750000 Mg\n0.824383 0.648763 0.750000 Mg\n0.666667 0.333333 0.250000 Os\n0.333334 0.666667 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
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"density": 6.282200954405207,
"density_atomic": 0.05750791152118952,
"volume": 139.11129422692213,
"volume_molar": 10.471847439253754,
"formula_full": "Mg6 Os2",
"formula_reduced": "Mg3Os",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8762555375000001,
"spacegroup": 194
}
]
}