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=energy_above_hull&page=475",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=473",
"results": [
{
"id": "jvasp-42667",
"created_at": "2022-09-04T14:36:02.622331Z",
"updated_at": "2022-09-04T14:36:02.622353Z",
"structure_string": "Sr2 Ca2 I8\n1.0\n-5.322737 5.313168 4.760115\n5.322737 -5.313168 4.760115\n5.322737 5.313168 -4.760115\nSr Ca I\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.250705 0.250000 0.000705 Ca\n0.749295 0.750001 0.999295 Ca\n0.748591 0.042493 0.291083 I\n0.693527 0.500775 0.192752 I\n0.808024 0.000775 0.807248 I\n0.748591 0.457508 0.706099 I\n0.251410 0.542493 0.293902 I\n0.306473 0.499226 0.807248 I\n0.191977 0.999226 0.192752 I\n0.251410 0.957508 0.708917 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 3.918346259269291,
"density_atomic": 0.02228513418669184,
"volume": 538.475555025651,
"volume_molar": 27.02312990152997,
"formula_full": "Sr2 Ca2 I8",
"formula_reduced": "SrCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0099599999999999,
"spacegroup": 65
},
{
"id": "jvasp-78490",
"created_at": "2022-09-04T14:37:09.333580Z",
"updated_at": "2022-09-04T14:37:09.333600Z",
"structure_string": "Sm1 Hg2\n1.0\n0.419978 0.242474 -4.306519\n-1.622688 -4.076566 0.648254\n-2.719064 4.709557 -0.000000\nSm Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.337707 0.326079 0.663039 Hg\n0.662294 0.673921 0.336959 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"Hg"
],
"chemical_system": "Hg-Sm",
"density": 11.602365073395422,
"density_atomic": 0.03800508157796765,
"volume": 78.93681253769927,
"volume_molar": 15.845619874925262,
"formula_full": "Sm1 Hg2",
"formula_reduced": "SmHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0099999999999999,
"spacegroup": 12
},
{
"id": "jvasp-30046",
"created_at": "2022-09-04T14:38:04.615439Z",
"updated_at": "2022-09-04T14:38:04.615459Z",
"structure_string": "Bi2 F6\n1.0\n4.101011 -0.000000 -0.000000\n-2.050506 3.551580 -0.000000\n-0.000000 0.000000 7.196056\nBi F\n2 6\ndirect\n0.666666 0.333333 0.750000 Bi\n0.333332 0.666667 0.250000 Bi\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n0.333332 0.666667 0.578667 F\n0.333332 0.666667 0.921334 F\n0.666666 0.333333 0.078667 F\n0.666666 0.333333 0.421334 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 8.42779252876572,
"density_atomic": 0.07632783020694359,
"volume": 104.81104963039071,
"volume_molar": 7.889836175969486,
"formula_full": "Bi2 F6",
"formula_reduced": "BiF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0100325,
"spacegroup": 194
},
{
"id": "jvasp-57604",
"created_at": "2022-09-04T14:37:29.999852Z",
"updated_at": "2022-09-04T14:37:29.999877Z",
"structure_string": "Na1 Mg1 F3\n1.0\n3.913054 -0.000000 -0.000000\n0.000000 3.913054 0.000000\n0.000000 0.000000 3.913054\nNa Mg F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Mg",
"F"
],
"chemical_system": "F-Mg-Na",
"density": 2.890308189284531,
"density_atomic": 0.08344925825373442,
"volume": 59.916650005409075,
"volume_molar": 7.216530004004564,
"formula_full": "Na1 Mg1 F3",
"formula_reduced": "NaMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0101059999999999,
"spacegroup": 221
},
{
"id": "jvasp-16001",
"created_at": "2022-09-04T14:36:46.019729Z",
"updated_at": "2022-09-04T14:36:46.019753Z",
"structure_string": "K2 Rh1 F6\n1.0\n2.871132 -4.972946 0.000000\n2.871132 4.972946 -0.000000\n0.000000 0.000000 4.601596\nK Rh F\n2 1 6\ndirect\n0.333333 0.666667 0.285621 K\n0.666667 0.333333 0.714380 K\n0.000000 0.000000 0.000000 Rh\n0.836761 0.163239 0.230517 F\n0.326478 0.163239 0.230517 F\n0.836760 0.673522 0.230517 F\n0.163239 0.836761 0.769484 F\n0.673522 0.836760 0.769484 F\n0.163239 0.326478 0.769484 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Rh",
"F"
],
"chemical_system": "F-K-Rh",
"density": 3.729081816709365,
"density_atomic": 0.06849157039622744,
"volume": 131.40303175901082,
"volume_molar": 8.792528372705705,
"formula_full": "K2 Rh1 F6",
"formula_reduced": "K2RhF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0101564701851851,
"spacegroup": 164
},
{
"id": "jvasp-8181",
"created_at": "2022-09-04T14:36:59.847563Z",
"updated_at": "2022-09-04T14:36:59.847585Z",
"structure_string": "Na3 As1\n1.0\n4.354139 -0.000000 2.513863\n1.451380 4.105121 2.513863\n0.000000 -0.000000 5.027726\nNa As\n3 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"As"
],
"chemical_system": "As-Na",
"density": 2.658781184535694,
"density_atomic": 0.04451026069458354,
"volume": 89.86691916829777,
"volume_molar": 13.529780922475783,
"formula_full": "Na3 As1",
"formula_reduced": "Na3As",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0101624999999999,
"spacegroup": 225
},
{
"id": "jvasp-85565",
"created_at": "2022-09-04T14:35:57.401564Z",
"updated_at": "2022-09-04T14:35:57.401582Z",
"structure_string": "Eu2 In4\n1.0\n5.015009 -0.000000 -0.000000\n-2.507504 4.343124 -0.000000\n-0.000000 0.000000 7.160116\nEu In\n2 4\ndirect\n0.000000 0.000000 0.250000 Eu\n0.000000 0.000000 0.750000 Eu\n0.333333 0.666666 0.482610 In\n0.666667 0.333333 0.982610 In\n0.666667 0.333333 0.517391 In\n0.333333 0.666666 0.017391 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Eu",
"In"
],
"chemical_system": "Eu-In",
"density": 8.126311299304644,
"density_atomic": 0.03847310575542681,
"volume": 155.95309716200055,
"volume_molar": 15.652858384458732,
"formula_full": "Eu2 In4",
"formula_reduced": "EuIn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0101666466666664,
"spacegroup": 194
},
{
"id": "jvasp-120463",
"created_at": "2022-09-04T14:38:53.585182Z",
"updated_at": "2022-09-04T14:38:53.585213Z",
"structure_string": "Tm8 Br16\n1.0\n6.550157 -0.000000 0.000000\n0.000000 7.631884 0.000000\n-0.000000 -0.000000 12.730871\nTm Br\n8 16\ndirect\n0.170758 0.547274 0.904322 Tm\n0.829243 0.452726 0.095678 Tm\n0.329242 0.047274 0.095678 Tm\n0.829243 0.952725 0.404322 Tm\n0.670758 0.952725 0.904322 Tm\n0.170758 0.047274 0.595678 Tm\n0.670758 0.452726 0.595678 Tm\n0.329242 0.547274 0.404322 Tm\n0.021016 0.201697 0.954381 Br\n0.521016 0.798302 0.545619 Br\n0.978984 0.798302 0.045619 Br\n0.478984 0.201697 0.454381 Br\n0.978984 0.298302 0.454381 Br\n0.021016 0.701697 0.545619 Br\n0.206830 0.878029 0.294352 Br\n0.706830 0.621970 0.294352 Br\n0.293170 0.378029 0.705648 Br\n0.793170 0.621970 0.794352 Br\n0.521016 0.298302 0.954381 Br\n0.206830 0.378029 0.205648 Br\n0.706830 0.121971 0.205648 Br\n0.293170 0.878029 0.794352 Br\n0.793170 0.121971 0.705648 Br\n0.478984 0.701697 0.045619 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Tm",
"Br"
],
"chemical_system": "Br-Tm",
"density": 6.8620356017213,
"density_atomic": 0.03771113935260493,
"volume": 636.4167302291327,
"volume_molar": 15.9691297144116,
"formula_full": "Tm8 Br16",
"formula_reduced": "TmBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.010179361111111,
"spacegroup": 61
},
{
"id": "jvasp-117790",
"created_at": "2022-09-04T14:38:48.487051Z",
"updated_at": "2022-09-04T14:38:48.487077Z",
"structure_string": "I1 Br2\n1.0\n4.174890 0.180665 -0.588499\n1.402465 -6.527719 0.129747\n1.313114 0.397466 -3.987024\nI Br\n1 2\ndirect\n0.054249 0.045692 0.899089 I\n0.350793 0.348973 0.560941 Br\n0.757678 0.742389 0.237271 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"I",
"Br"
],
"chemical_system": "Br-I",
"density": 4.5730365071931525,
"density_atomic": 0.02881577096013958,
"volume": 104.10965592938167,
"volume_molar": 20.89876674939683,
"formula_full": "I1 Br2",
"formula_reduced": "IBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0102286666666666,
"spacegroup": 2
},
{
"id": "jvasp-96693",
"created_at": "2022-09-04T14:35:47.371691Z",
"updated_at": "2022-09-04T14:35:47.371722Z",
"structure_string": "I8 Cl8\n1.0\n4.328950 0.000000 0.000000\n0.000000 10.597691 -5.365035\n0.000000 -0.043134 11.816599\nI Cl\n8 8\ndirect\n0.868921 0.633539 0.703896 I\n0.631079 0.133539 0.703896 I\n0.876081 0.109480 0.186959 I\n0.368921 0.866462 0.296105 I\n0.123919 0.890520 0.813042 I\n0.131079 0.366462 0.296105 I\n0.623919 0.609480 0.186959 I\n0.376081 0.390520 0.813042 I\n0.862292 0.151997 0.525883 Cl\n0.637707 0.651997 0.525884 Cl\n0.137707 0.848004 0.474117 Cl\n0.144506 0.616698 0.909098 Cl\n0.855494 0.383302 0.090902 Cl\n0.644506 0.883302 0.090903 Cl\n0.362292 0.348004 0.474117 Cl\n0.355494 0.116698 0.909098 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"I",
"Cl"
],
"chemical_system": "Cl-I",
"density": 3.9859177560482997,
"density_atomic": 0.02956902173087741,
"volume": 541.1068430205123,
"volume_molar": 20.366384842929683,
"formula_full": "I8 Cl8",
"formula_reduced": "ICl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0102380225,
"spacegroup": 14
},
{
"id": "jvasp-34657",
"created_at": "2022-09-04T14:37:11.584208Z",
"updated_at": "2022-09-04T14:37:11.584231Z",
"structure_string": "Na8 S4\n1.0\n4.293735 0.000000 0.000000\n0.000000 7.107979 0.000000\n0.000000 0.000000 8.348000\nNa S\n8 4\ndirect\n0.250000 0.145399 0.427966 Na\n0.749999 0.476123 0.331076 Na\n0.749999 0.976124 0.168924 Na\n0.749999 0.354601 0.927966 Na\n0.250000 0.523877 0.668924 Na\n0.749999 0.854601 0.572034 Na\n0.250000 0.645399 0.072034 Na\n0.250000 0.023877 0.831076 Na\n0.250000 0.753393 0.386227 S\n0.250000 0.253392 0.113773 S\n0.749999 0.746608 0.886227 S\n0.749999 0.246608 0.613773 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Na",
"S"
],
"chemical_system": "Na-S",
"density": 2.034641002890391,
"density_atomic": 0.04709962316051589,
"volume": 254.77910851014465,
"volume_molar": 12.785963784628375,
"formula_full": "Na8 S4",
"formula_reduced": "Na2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0102666666666666,
"spacegroup": 62
},
{
"id": "jvasp-86740",
"created_at": "2022-09-04T14:35:43.966408Z",
"updated_at": "2022-09-04T14:35:43.966435Z",
"structure_string": "Ca2 Ag2 Bi2\n1.0\n4.867879 -0.000000 -0.000000\n-2.433939 4.215706 0.000000\n-0.000000 -0.000000 7.831247\nCa Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.021314 Ca\n0.000000 0.000000 0.521314 Ca\n0.333333 0.666668 0.340788 Ag\n0.666667 0.333333 0.840788 Ag\n0.666667 0.333333 0.237569 Bi\n0.333333 0.666668 0.737569 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Ca",
"density": 7.375933554465557,
"density_atomic": 0.037334491279228506,
"volume": 160.70930108904878,
"volume_molar": 16.130233876657886,
"formula_full": "Ca2 Ag2 Bi2",
"formula_reduced": "CaAgBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0103402600000001,
"spacegroup": 186
}
]
}