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=density&page=839",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=837",
"results": [
{
"id": "jvasp-100465",
"created_at": "2022-09-04T14:36:32.230408Z",
"updated_at": "2022-09-04T14:36:32.230437Z",
"structure_string": "Li2 V2 F6\n1.0\n4.614055 -0.020980 3.043210\n1.627556 4.317523 3.043210\n-0.030478 -0.020980 5.527178\nLi V F\n2 2 6\ndirect\n0.137825 0.137825 0.137825 Li\n0.862175 0.862175 0.862176 Li\n0.344729 0.344729 0.344730 V\n0.655270 0.655270 0.655271 V\n0.436791 0.755229 0.057008 F\n0.057008 0.436790 0.755229 F\n0.244772 0.942992 0.563210 F\n0.755228 0.057008 0.436791 F\n0.942992 0.563209 0.244771 F\n0.563209 0.244771 0.942993 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.4404973979920306,
"density_atomic": 0.09017919879507175,
"volume": 110.89031765212906,
"volume_molar": 6.677971018222339,
"formula_full": "Li2 V2 F6",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4251910095000001,
"spacegroup": 148
},
{
"id": "jvasp-99412",
"created_at": "2022-09-04T14:36:36.151892Z",
"updated_at": "2022-09-04T14:36:36.151916Z",
"structure_string": "K2 Rb1 Tl1 Br6\n1.0\n7.215757 -0.000000 4.166019\n2.405252 6.803081 4.166019\n-0.000000 -0.000000 8.332039\nK Rb Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.766522 0.233478 0.233478 Br\n0.233478 0.233478 0.766522 Br\n0.233478 0.766522 0.766522 Br\n0.233478 0.766522 0.233478 Br\n0.766522 0.233478 0.766522 Br\n0.766522 0.766522 0.233478 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Tl",
"Br"
],
"chemical_system": "Br-K-Rb-Tl",
"density": 3.4406101538660816,
"density_atomic": 0.02444900361159805,
"volume": 409.0146232076398,
"volume_molar": 24.631436338547694,
"formula_full": "K2 Rb1 Tl1 Br6",
"formula_reduced": "K2RbTlBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-71554",
"created_at": "2022-09-04T14:35:51.434205Z",
"updated_at": "2022-09-04T14:35:51.434226Z",
"structure_string": "Be2 Se1 Cl1\n1.0\n3.178166 -0.000000 0.000000\n0.000000 3.178166 0.000000\n0.000000 -0.000000 6.327749\nBe Se Cl\n2 1 1\ndirect\n0.000000 0.000000 0.679101 Be\n0.000000 0.000000 0.320899 Be\n0.500001 0.500001 0.500000 Se\n0.500001 0.500001 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Se",
"Cl"
],
"chemical_system": "Be-Cl-Se",
"density": 3.4407825510303067,
"density_atomic": 0.06258317510462405,
"volume": 63.914941888342355,
"volume_molar": 9.622619417970448,
"formula_full": "Be2 Se1 Cl1",
"formula_reduced": "Be2SeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.365597408541667,
"spacegroup": 123
},
{
"id": "jvasp-43103",
"created_at": "2022-09-04T14:36:21.661672Z",
"updated_at": "2022-09-04T14:36:21.661698Z",
"structure_string": "Ti2 Fe2 P4 O16\n1.0\n0.000000 4.888121 -0.030594\n5.881626 0.000000 0.000000\n0.000000 -0.033294 -9.858214\nTi Fe P O\n2 2 4 16\ndirect\n0.552225 0.250000 0.227710 Ti\n0.447776 0.750000 0.772289 Ti\n0.053336 0.750000 0.271451 Fe\n0.946664 0.250000 0.728548 Fe\n0.588179 0.750000 0.092035 P\n0.126202 0.250000 0.407283 P\n0.873798 0.750000 0.592716 P\n0.411822 0.250000 0.907965 P\n0.272602 0.041304 0.835564 O\n0.272602 0.458696 0.835564 O\n0.719417 0.548736 0.665685 O\n0.719417 0.951265 0.665685 O\n0.177281 0.750000 0.632590 O\n0.158196 0.250000 0.559360 O\n0.841804 0.750000 0.440639 O\n0.727398 0.541304 0.164435 O\n0.280584 0.451265 0.334314 O\n0.280584 0.048736 0.334314 O\n0.720021 0.250000 0.889544 O\n0.727398 0.958697 0.164435 O\n0.279980 0.750000 0.110455 O\n0.340933 0.250000 0.060541 O\n0.822720 0.250000 0.367409 O\n0.659068 0.750000 0.939458 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Ti",
"density": 3.4408782835896603,
"density_atomic": 0.08467680582164933,
"volume": 283.43062503503074,
"volume_molar": 7.111912998565562,
"formula_full": "Ti2 Fe2 P4 O16",
"formula_reduced": "TiFe(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.110937736111111,
"spacegroup": 11
},
{
"id": "jvasp-12533",
"created_at": "2022-09-04T14:38:34.991197Z",
"updated_at": "2022-09-04T14:38:34.991221Z",
"structure_string": "Rb2 Ni2 Cl6\n1.0\n3.448746 -5.973404 -0.000000\n3.448746 5.973404 -0.000000\n-0.000000 0.000000 5.868609\nRb Ni Cl\n2 2 6\ndirect\n0.666667 0.333334 0.250000 Rb\n0.333334 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.840364 0.680726 0.750000 Cl\n0.159638 0.840363 0.250000 Cl\n0.680726 0.840364 0.250000 Cl\n0.319275 0.159638 0.750000 Cl\n0.159638 0.319275 0.250000 Cl\n0.840363 0.159638 0.750000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"Cl"
],
"chemical_system": "Cl-Ni-Rb",
"density": 3.440912062061013,
"density_atomic": 0.041357257394162704,
"volume": 241.79553070198102,
"volume_molar": 14.561267210262313,
"formula_full": "Rb2 Ni2 Cl6",
"formula_reduced": "RbNiCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-106887",
"created_at": "2022-09-04T14:38:09.391261Z",
"updated_at": "2022-09-04T14:38:09.391271Z",
"structure_string": "Li2 Mn1 F6\n1.0\n4.832880 -0.000000 0.000000\n-2.416440 4.185397 0.000000\n-0.000000 -0.000000 4.361257\nLi Mn F\n2 1 6\ndirect\n0.333334 0.666667 0.500000 Li\n0.666667 0.333334 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.689192 0.241498 F\n0.000000 0.310809 0.758503 F\n0.310809 0.310809 0.241498 F\n0.310809 0.000000 0.758503 F\n0.689191 0.689192 0.758503 F\n0.689191 0.000000 0.241498 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4410881569745553,
"density_atomic": 0.10202066720876454,
"volume": 88.21741953111648,
"volume_molar": 5.902863532226186,
"formula_full": "Li2 Mn1 F6",
"formula_reduced": "Li2MnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3097865484865899,
"spacegroup": 162
},
{
"id": "jvasp-23465",
"created_at": "2022-09-04T14:37:43.258237Z",
"updated_at": "2022-09-04T14:37:43.258270Z",
"structure_string": "Ca8 In4\n1.0\n5.327489 -0.000000 0.000000\n0.000000 7.165567 0.000000\n0.000000 0.000000 9.858365\nCa In\n8 4\ndirect\n0.750000 0.967477 0.702586 Ca\n0.250000 0.032524 0.297414 Ca\n0.750000 0.467477 0.797415 Ca\n0.250000 0.532524 0.202586 Ca\n0.750000 0.825209 0.067564 Ca\n0.250000 0.174791 0.932437 Ca\n0.750000 0.325209 0.432436 Ca\n0.250000 0.674791 0.567564 Ca\n0.750000 0.776356 0.391061 In\n0.250000 0.223644 0.608939 In\n0.750000 0.276356 0.108939 In\n0.250000 0.723645 0.891061 In\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"In"
],
"chemical_system": "Ca-In",
"density": 3.441183041250643,
"density_atomic": 0.03188623405556298,
"volume": 376.3379513268812,
"volume_molar": 18.88633430183756,
"formula_full": "Ca8 In4",
"formula_reduced": "Ca2In",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0334910256410256,
"spacegroup": 62
},
{
"id": "jvasp-117756",
"created_at": "2022-09-04T14:38:46.879427Z",
"updated_at": "2022-09-04T14:38:46.879448Z",
"structure_string": "Ca2 H2 Br2\n1.0\n3.840502 -0.000000 0.000000\n0.000000 3.840502 0.000000\n0.000000 -0.000000 7.916559\nCa H Br\n2 2 2\ndirect\n0.000000 0.499999 0.837599 Ca\n0.499999 0.000000 0.162401 Ca\n0.499999 0.499999 0.000000 H\n0.000000 0.000000 0.000000 H\n0.499999 0.000000 0.669713 Br\n0.000000 0.499999 0.330287 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"H",
"Br"
],
"chemical_system": "Br-Ca-H",
"density": 3.4412475124368407,
"density_atomic": 0.05138528934816275,
"volume": 116.76493557031077,
"volume_molar": 11.71958129727904,
"formula_full": "Ca2 H2 Br2",
"formula_reduced": "CaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1126548416666669,
"spacegroup": 129
},
{
"id": "jvasp-42296",
"created_at": "2022-09-04T14:37:28.380330Z",
"updated_at": "2022-09-04T14:37:28.380350Z",
"structure_string": "K2 Li4 Mn4 O8\n1.0\n0.000000 3.247522 0.020238\n12.493117 0.000000 0.000000\n0.000000 -0.323598 -5.398177\nK Li Mn O\n2 4 4 8\ndirect\n0.944574 0.250000 0.349146 K\n0.055425 0.750000 0.650854 K\n0.532286 0.643617 0.142460 Li\n0.532286 0.856384 0.142460 Li\n0.467713 0.356384 0.857540 Li\n0.467713 0.143617 0.857540 Li\n0.499999 0.500000 0.500000 Mn\n0.499999 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.957837 0.099837 0.718611 O\n0.042162 0.599837 0.281389 O\n0.042162 0.900163 0.281389 O\n0.577971 0.588917 0.828997 O\n0.577971 0.911083 0.828997 O\n0.422028 0.411083 0.171003 O\n0.422028 0.088917 0.171003 O\n0.957837 0.400163 0.718611 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Li",
"Mn",
"O"
],
"chemical_system": "K-Li-Mn-O",
"density": 3.4412621386993147,
"density_atomic": 0.08221759070061253,
"volume": 218.93125116673966,
"volume_molar": 7.324637840494558,
"formula_full": "K2 Li4 Mn4 O8",
"formula_reduced": "KLi2Mn2O4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.253710720306513,
"spacegroup": 11
},
{
"id": "jvasp-34996",
"created_at": "2022-09-04T14:37:27.752650Z",
"updated_at": "2022-09-04T14:37:27.752671Z",
"structure_string": "Mg4 Ge2\n1.0\n2.346725 -4.064647 0.000000\n2.346725 4.064647 0.000000\n-0.000000 -0.000000 6.133526\nMg Ge\n4 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666666 0.750000 Mg\n0.666666 0.333332 0.250000 Mg\n0.333332 0.666666 0.250000 Ge\n0.666666 0.333332 0.750000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg",
"density": 3.4414035275864503,
"density_atomic": 0.05127740155607785,
"volume": 117.01060931175104,
"volume_molar": 11.744239328145525,
"formula_full": "Mg4 Ge2",
"formula_reduced": "Mg2Ge",
"formula_anonymous": "AB2",
"energy_above_hull": 0.20367119,
"spacegroup": 194
},
{
"id": "jvasp-79068",
"created_at": "2022-09-04T14:36:35.874739Z",
"updated_at": "2022-09-04T14:36:35.874760Z",
"structure_string": "Li3 Tc1\n1.0\n-1.863017 1.863017 4.129489\n1.863017 -1.863017 4.129489\n1.863017 1.863017 -4.129489\nLi Tc\n3 1\ndirect\n0.750001 0.250000 0.500000 Li\n0.250000 0.750001 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Tc"
],
"chemical_system": "Li-Tc",
"density": 3.441594269761491,
"density_atomic": 0.06977021330373914,
"volume": 57.33105591330664,
"volume_molar": 8.631392215734074,
"formula_full": "Li3 Tc1",
"formula_reduced": "Li3Tc",
"formula_anonymous": "AB3",
"energy_above_hull": 2.034832875,
"spacegroup": 139
},
{
"id": "jvasp-21511",
"created_at": "2022-09-04T14:38:32.737442Z",
"updated_at": "2022-09-04T14:38:32.737475Z",
"structure_string": "Y1 B12\n1.0\n4.593102 -0.000000 2.651829\n1.531034 4.330418 2.651829\n0.000000 -0.000000 5.303658\nY B\n1 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.161997 0.500000 0.500001 B\n0.838002 0.500000 0.500001 B\n0.499999 0.500000 0.838003 B\n0.838002 0.161998 0.500001 B\n0.499999 0.838003 0.161998 B\n0.500000 0.161998 0.838003 B\n0.499999 0.838003 0.500001 B\n0.838002 0.500000 0.161998 B\n0.161997 0.838003 0.500001 B\n0.500000 0.161998 0.500001 B\n0.161997 0.500000 0.838003 B\n0.499999 0.500000 0.161998 B\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Y",
"B"
],
"chemical_system": "B-Y",
"density": 3.4416208560515105,
"density_atomic": 0.12323439339672079,
"volume": 105.49003116483814,
"volume_molar": 4.886737049626477,
"formula_full": "Y1 B12",
"formula_reduced": "YB12",
"formula_anonymous": "AB12",
"energy_above_hull": 5.33156741923077,
"spacegroup": 225
}
]
}