HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=342",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=340",
"results": [
{
"id": "jvasp-101665",
"created_at": "2022-09-04T14:36:41.279719Z",
"updated_at": "2022-09-04T14:36:41.279744Z",
"structure_string": "Ba2 Lu1 Re1 O6\n1.0\n5.113237 0.000219 2.950777\n1.705019 4.820591 2.950777\n0.001181 0.000835 5.903619\nBa Lu Re O\n2 1 1 6\ndirect\n0.750003 0.750002 0.749986 Ba\n0.249998 0.249997 0.250016 Ba\n0.000000 0.000000 0.000000 Lu\n0.500001 0.499999 0.500001 Re\n0.261486 0.261485 0.738512 O\n0.738515 0.738514 0.261489 O\n0.738523 0.261486 0.738515 O\n0.261479 0.738513 0.261486 O\n0.738514 0.261478 0.261486 O\n0.261487 0.738521 0.738515 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Lu",
"Re",
"O"
],
"chemical_system": "Ba-Lu-O-Re",
"density": 8.35262985204242,
"density_atomic": 0.06873330911426331,
"volume": 145.4898669781175,
"volume_molar": 8.761604580958995,
"formula_full": "Ba2 Lu1 Re1 O6",
"formula_reduced": "Ba2LuReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.371067669,
"spacegroup": 225
},
{
"id": "jvasp-9768",
"created_at": "2022-09-04T14:38:10.658882Z",
"updated_at": "2022-09-04T14:38:10.658904Z",
"structure_string": "Ba2 Lu1 Ru1 O6\n1.0\n5.089080 -0.000000 2.938182\n1.696360 4.798030 2.938182\n0.000000 0.000000 5.876363\nBa Lu Ru O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.499999 Ru\n0.262272 0.737728 0.737727 O\n0.262272 0.737728 0.262272 O\n0.737728 0.262272 0.737727 O\n0.262272 0.262272 0.737727 O\n0.737728 0.262272 0.262272 O\n0.737728 0.737728 0.262271 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Lu",
"Ru",
"O"
],
"chemical_system": "Ba-Lu-O-Ru",
"density": 7.483980445062916,
"density_atomic": 0.0696929980402145,
"volume": 143.4864373926024,
"volume_molar": 8.64095523129179,
"formula_full": "Ba2 Lu1 Ru1 O6",
"formula_reduced": "Ba2LuRuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0983689190000003,
"spacegroup": 225
},
{
"id": "jvasp-111315",
"created_at": "2022-09-04T14:38:47.987993Z",
"updated_at": "2022-09-04T14:38:47.988004Z",
"structure_string": "Ba2 Lu1 U1 O6\n1.0\n5.316068 0.000000 3.069233\n1.772023 5.012037 3.069233\n-0.000000 -0.000000 6.138467\nBa Lu U O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 U\n0.751989 0.751990 0.248010 O\n0.248011 0.248011 0.751989 O\n0.751989 0.248011 0.751989 O\n0.248010 0.751990 0.248010 O\n0.248010 0.751990 0.751989 O\n0.751989 0.248011 0.248010 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Lu",
"U",
"O"
],
"chemical_system": "Ba-Lu-O-U",
"density": 7.956177600439137,
"density_atomic": 0.061141385886142055,
"volume": 163.55533743742862,
"volume_molar": 9.849532640974926,
"formula_full": "Ba2 Lu1 U1 O6",
"formula_reduced": "Ba2LuUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.191490469,
"spacegroup": 225
},
{
"id": "jvasp-42172",
"created_at": "2022-09-04T14:37:10.010576Z",
"updated_at": "2022-09-04T14:37:10.010592Z",
"structure_string": "Ba2 Lu4 O8\n1.0\n3.365437 0.000000 0.000000\n-1.682719 5.527759 -0.000000\n0.000000 0.000000 11.303283\nBa Lu O\n2 4 8\ndirect\n0.112873 0.225749 0.250000 Ba\n0.887127 0.774252 0.750000 Ba\n0.365200 0.730399 0.430090 Lu\n0.365200 0.730399 0.069910 Lu\n0.634801 0.269602 0.569910 Lu\n0.634801 0.269602 0.930089 Lu\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.430206 0.860412 0.250000 O\n0.259925 0.519849 0.599955 O\n0.259925 0.519849 0.900045 O\n0.569794 0.139589 0.750000 O\n0.740076 0.480152 0.400045 O\n0.740076 0.480152 0.099955 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Lu",
"O"
],
"chemical_system": "Ba-Lu-O",
"density": 8.706413795874232,
"density_atomic": 0.06657832565002297,
"volume": 210.27864343709533,
"volume_molar": 9.045197068571701,
"formula_full": "Ba2 Lu4 O8",
"formula_reduced": "BaLu2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4542316385714282,
"spacegroup": 63
},
{
"id": "jvasp-20201",
"created_at": "2022-09-04T14:38:31.446722Z",
"updated_at": "2022-09-04T14:38:31.446749Z",
"structure_string": "Ba2 Mg17\n1.0\n7.961504 0.003341 1.000153\n0.882785 7.912411 1.000153\n0.003733 0.003341 8.024079\nBa Mg\n2 17\ndirect\n0.337464 0.337464 0.337464 Ba\n0.662536 0.662535 0.662535 Ba\n0.845661 0.346995 0.346994 Mg\n0.154339 0.653005 0.653005 Mg\n0.653005 0.653005 0.154338 Mg\n0.653005 0.154339 0.653005 Mg\n0.292829 -0.000000 0.707170 Mg\n0.000000 0.707170 0.292829 Mg\n0.707170 0.292830 -0.000000 Mg\n0.346995 0.346995 0.845661 Mg\n0.292830 0.707170 -0.000000 Mg\n0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.901917 0.901917 0.901916 Mg\n0.098083 0.098083 0.098083 Mg\n0.346995 0.845661 0.346994 Mg\n-0.000000 0.292830 0.707170 Mg\n0.707170 -0.000000 0.292830 Mg\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Ba",
"Mg"
],
"chemical_system": "Ba-Mg",
"density": 2.259970522061732,
"density_atomic": 0.03759416832110197,
"volume": 505.39753500372336,
"volume_molar": 16.01881629236552,
"formula_full": "Ba2 Mg17",
"formula_reduced": "Ba2Mg17",
"formula_anonymous": "A2B17",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-10501",
"created_at": "2022-09-04T14:36:51.051831Z",
"updated_at": "2022-09-04T14:36:51.051843Z",
"structure_string": "Ba2 Mg1 B2 O6\n1.0\n4.872991 -0.010905 4.055829\n1.894721 4.489564 4.055829\n-0.016477 -0.010905 6.339993\nBa Mg B O\n2 1 2 6\ndirect\n0.776649 0.776651 0.776650 Ba\n0.223350 0.223351 0.223350 Ba\n0.000000 0.000000 0.000000 Mg\n0.410185 0.410186 0.410185 B\n0.589814 0.589815 0.589815 B\n0.292266 0.739971 0.739971 O\n0.739970 0.739971 0.292267 O\n0.739970 0.292268 0.739971 O\n0.260029 0.707733 0.260029 O\n0.260028 0.260030 0.707733 O\n0.707733 0.260030 0.260029 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"B",
"O"
],
"chemical_system": "B-Ba-Mg-O",
"density": 4.967015537548166,
"density_atomic": 0.0789847778780486,
"volume": 139.26734106898226,
"volume_molar": 7.624432101712183,
"formula_full": "Ba2 Mg1 B2 O6",
"formula_reduced": "Ba2Mg(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.156257014242424,
"spacegroup": 166
},
{
"id": "jvasp-35115",
"created_at": "2022-09-04T14:37:42.420922Z",
"updated_at": "2022-09-04T14:37:42.420942Z",
"structure_string": "Ba2 Mg1 B6 O12\n1.0\n3.562082 2.056467 5.527140\n-3.562000 2.056470 5.527084\n0.000044 -4.113222 5.527218\nBa Mg B O\n2 1 6 12\ndirect\n0.212853 0.212854 0.212851 Ba\n0.787147 0.787147 0.787147 Ba\n0.000000 0.000000 0.000000 Mg\n0.363369 0.644964 0.756828 B\n0.644963 0.756830 0.363368 B\n0.756828 0.363371 0.644963 B\n0.636631 0.355037 0.243171 B\n0.355036 0.243171 0.636631 B\n0.243171 0.636630 0.355036 B\n0.464647 0.572827 0.196407 O\n0.803591 0.535353 0.427173 O\n0.427171 0.803592 0.535350 O\n0.535353 0.427174 0.803592 O\n0.312082 0.084251 0.841886 O\n0.158115 0.687915 0.915749 O\n0.084250 0.841886 0.312082 O\n0.687917 0.915750 0.158113 O\n0.572828 0.196409 0.464649 O\n0.915750 0.158115 0.687917 O\n0.841885 0.312086 0.084250 O\n0.196409 0.464648 0.572826 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"B",
"O"
],
"chemical_system": "B-Ba-Mg-O",
"density": 3.7991655548172996,
"density_atomic": 0.086442230662774,
"volume": 242.93681270124333,
"volume_molar": 6.9666651517744915,
"formula_full": "Ba2 Mg1 B6 O12",
"formula_reduced": "Ba2Mg(BO2)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.1508313566666666,
"spacegroup": 148
},
{
"id": "jvasp-81146",
"created_at": "2022-09-04T14:36:47.304978Z",
"updated_at": "2022-09-04T14:36:47.305008Z",
"structure_string": "Ba2 Mg1 Cd1\n1.0\n-17.201793 -0.000000 -9.931458\n-10.031101 -0.489620 -2.488541\n-8.846822 2.860027 -4.539773\nBa Mg Cd\n2 1 1\ndirect\n0.664816 -0.000001 -0.000000 Ba\n0.335184 -0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000001 -0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 4.083573934131957,
"density_atomic": 0.023912154064426705,
"volume": 167.27894899065842,
"volume_molar": 25.184434425165122,
"formula_full": "Ba2 Mg1 Cd1",
"formula_reduced": "Ba2MgCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0059325,
"spacegroup": 139
},
{
"id": "jvasp-76884",
"created_at": "2022-09-04T14:37:58.766414Z",
"updated_at": "2022-09-04T14:37:58.766436Z",
"structure_string": "Ba2 Mg1 Cd1\n1.0\n-17.743189 -0.000001 -10.244034\n-10.295996 -0.489325 -2.654880\n-9.115726 2.848986 -4.699169\nBa Mg Cd\n2 1 1\ndirect\n0.663344 0.000001 0.000000 Ba\n0.336655 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Mg\n0.499999 0.000001 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 3.9905045793463088,
"density_atomic": 0.023367168523278595,
"volume": 171.18034630576494,
"volume_molar": 25.771803519971566,
"formula_full": "Ba2 Mg1 Cd1",
"formula_reduced": "Ba2MgCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-65635",
"created_at": "2022-09-04T14:35:46.885913Z",
"updated_at": "2022-09-04T14:35:46.885930Z",
"structure_string": "Ba2 Mg1 Ga1\n1.0\n0.000000 4.187741 4.187741\n4.187741 0.000000 4.187741\n4.187741 4.187741 -0.000000\nBa Mg Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ga"
],
"chemical_system": "Ba-Ga-Mg",
"density": 4.168037279694056,
"density_atomic": 0.027232690719828246,
"volume": 146.88229088900061,
"volume_molar": 22.11364577212068,
"formula_full": "Ba2 Mg1 Ga1",
"formula_reduced": "Ba2MgGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-85665",
"created_at": "2022-09-04T14:35:45.848452Z",
"updated_at": "2022-09-04T14:35:45.848488Z",
"structure_string": "Ba2 Mg1 H6\n1.0\n5.717813 0.000016 0.000046\n-2.858894 4.951832 0.000009\n0.000035 0.000029 4.529616\nBa Mg H\n2 1 6\ndirect\n0.666667 0.333333 0.267215 Ba\n0.333335 0.666668 0.732787 Ba\n0.000000 0.000000 0.000000 Mg\n0.829307 0.658612 0.773261 H\n0.829307 0.170695 0.773260 H\n0.341389 0.170694 0.773258 H\n0.170695 0.341389 0.226741 H\n0.170695 0.829306 0.226742 H\n0.658613 0.829306 0.226744 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"H"
],
"chemical_system": "Ba-H-Mg",
"density": 3.9491211225874094,
"density_atomic": 0.0701753475204877,
"volume": 128.25016644730474,
"volume_molar": 8.581561720434426,
"formula_full": "Ba2 Mg1 H6",
"formula_reduced": "Ba2MgH6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.7910056655555555,
"spacegroup": 164
},
{
"id": "jvasp-109923",
"created_at": "2022-09-04T14:38:19.501985Z",
"updated_at": "2022-09-04T14:38:19.501994Z",
"structure_string": "Ba2 Mg1 In1\n1.0\n5.235917 -0.000000 3.022958\n1.745306 4.936470 3.022958\n-0.000000 -0.000000 6.045917\nBa Mg In\n2 1 1\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"In"
],
"chemical_system": "Ba-In-Mg",
"density": 4.396873871898934,
"density_atomic": 0.025596969739441318,
"volume": 156.26849743220052,
"volume_molar": 23.52677219726025,
"formula_full": "Ba2 Mg1 In1",
"formula_reduced": "Ba2MgIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}