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=volume&page=3465",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3463",
"results": [
{
"id": "jvasp-32828",
"created_at": "2022-09-04T14:38:04.996143Z",
"updated_at": "2022-09-04T14:38:04.996173Z",
"structure_string": "Sn1 I4\n1.0\n6.084812 0.000000 -0.000000\n-0.000000 6.084812 -0.000000\n-0.000000 0.000000 6.084812\nSn I\n1 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.257923 0.742076 0.742076 I\n0.742076 0.257923 0.742076 I\n0.742076 0.742076 0.257923 I\n0.257923 0.257923 0.257923 I\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sn",
"I"
],
"chemical_system": "I-Sn",
"density": 4.616462880415994,
"density_atomic": 0.022193638648807704,
"volume": 225.28978141529814,
"volume_molar": 27.134535509451144,
"formula_full": "Sn1 I4",
"formula_reduced": "SnI4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 215
},
{
"id": "jvasp-42707",
"created_at": "2022-09-04T14:37:12.879503Z",
"updated_at": "2022-09-04T14:37:12.879530Z",
"structure_string": "Mn8 O14 F2\n1.0\n-4.330658 0.000000 0.023066\n0.025025 5.382473 -4.832937\n0.025025 -5.382473 -4.832937\nMn O F\n8 14 2\ndirect\n0.523899 0.685194 0.053015 Mn\n0.500002 0.301302 0.948698 Mn\n0.476104 0.196985 0.564805 Mn\n0.500002 0.803931 0.446070 Mn\n0.980133 0.948213 0.793120 Mn\n0.000001 0.553092 0.696909 Mn\n0.019870 0.456880 0.301788 Mn\n0.000000 0.052079 0.197922 Mn\n0.233180 0.770405 0.652077 O\n0.233447 0.266614 0.154934 O\n0.225942 0.400628 0.519267 O\n0.260615 0.019420 0.399145 O\n0.271067 0.517274 0.901614 O\n0.269625 0.654282 0.262991 O\n0.254830 0.151937 0.770740 O\n0.728936 0.348387 0.732727 O\n0.745172 0.479260 0.098063 O\n0.730378 0.987009 0.595719 O\n0.766823 0.597924 0.479595 O\n0.774061 0.730733 0.849373 O\n0.766555 0.095066 0.983386 O\n0.739387 0.850855 0.230580 O\n0.750823 0.231991 0.349462 F\n0.249180 0.900537 0.018009 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.170200610325563,
"density_atomic": 0.10652372426885208,
"volume": 225.3019237238374,
"volume_molar": 5.6533329090155515,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.269639479001437,
"spacegroup": 5
},
{
"id": "jvasp-66039",
"created_at": "2022-09-04T14:35:52.263753Z",
"updated_at": "2022-09-04T14:35:52.263784Z",
"structure_string": "Ba4 Zr1 Ru1\n1.0\n0.000000 4.829633 4.829633\n4.829633 -0.000000 4.829633\n4.829633 4.829633 0.000000\nBa Zr Ru\n4 1 1\ndirect\n0.127127 0.624290 0.624290 Ba\n0.624290 0.624290 0.624290 Ba\n0.624290 0.127127 0.624290 Ba\n0.624290 0.624290 0.127127 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ru"
],
"chemical_system": "Ba-Ru-Zr",
"density": 5.465722813047001,
"density_atomic": 0.026630471989034853,
"volume": 225.30580766538841,
"volume_molar": 22.613721463440935,
"formula_full": "Ba4 Zr1 Ru1",
"formula_reduced": "Ba4ZrRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6636881466666669,
"spacegroup": 216
},
{
"id": "jvasp-106281",
"created_at": "2022-09-04T14:38:39.941214Z",
"updated_at": "2022-09-04T14:38:39.941235Z",
"structure_string": "Yb2 Ce6\n1.0\n6.748610 -0.000000 -0.000000\n-3.374305 5.844467 0.000000\n-0.000000 -0.000000 5.713081\nYb Ce\n2 6\ndirect\n0.333334 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.147133 0.294266 0.250000 Ce\n0.705735 0.852868 0.250000 Ce\n0.147133 0.852868 0.250000 Ce\n0.852868 0.705734 0.750000 Ce\n0.294266 0.147133 0.750000 Ce\n0.852868 0.147133 0.750000 Ce\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Ce"
],
"chemical_system": "Ce-Yb",
"density": 8.745572191495073,
"density_atomic": 0.03550261669068173,
"volume": 225.335503286994,
"volume_molar": 16.962526487746505,
"formula_full": "Yb2 Ce6",
"formula_reduced": "YbCe3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4927693,
"spacegroup": 194
},
{
"id": "jvasp-47070",
"created_at": "2022-09-04T14:38:04.070802Z",
"updated_at": "2022-09-04T14:38:04.070837Z",
"structure_string": "Hf4 Co4 O12\n1.0\n5.385299 0.000000 0.000000\n0.000000 5.375827 0.000000\n0.000000 0.000000 7.785320\nHf Co O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.017569 0.027485 0.250000 Co\n0.517569 0.472516 0.750000 Co\n0.482432 0.527485 0.250000 Co\n0.982432 0.972516 0.750000 Co\n0.837109 0.835102 0.068497 O\n0.337109 0.664899 0.931503 O\n0.337109 0.664899 0.568497 O\n0.877298 0.590332 0.750000 O\n0.122702 0.409669 0.250000 O\n0.162891 0.164899 0.568497 O\n0.662891 0.335102 0.068497 O\n0.162891 0.164899 0.931503 O\n0.837109 0.835102 0.431503 O\n0.622702 0.090332 0.750000 O\n0.662891 0.335102 0.431503 O\n0.377298 0.909669 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hf",
"Co",
"O"
],
"chemical_system": "Co-Hf-O",
"density": 8.41131776059872,
"density_atomic": 0.08873570873851007,
"volume": 225.38840658766583,
"volume_molar": 6.786603550715174,
"formula_full": "Hf4 Co4 O12",
"formula_reduced": "HfCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.914776879999999,
"spacegroup": 62
},
{
"id": "jvasp-12641",
"created_at": "2022-09-04T14:37:18.767968Z",
"updated_at": "2022-09-04T14:37:18.767983Z",
"structure_string": "Na4 Fe4 O8\n1.0\n5.520365 0.000000 0.000000\n0.000000 5.520365 -0.000000\n0.000000 -0.000000 7.396161\nNa Fe O\n4 4 8\ndirect\n0.797236 0.797236 0.000000 Na\n0.297235 0.702766 0.750000 Na\n0.702766 0.297235 0.250000 Na\n0.202765 0.202765 0.500000 Na\n0.811142 0.811142 0.500000 Fe\n0.688859 0.311142 0.750000 Fe\n0.311142 0.688859 0.250000 Fe\n0.188858 0.188858 0.000000 Fe\n0.153398 0.776824 0.466440 O\n0.846603 0.223176 0.966440 O\n0.776824 0.153398 0.533560 O\n0.276824 0.346602 0.216440 O\n0.723177 0.653399 0.716440 O\n0.223176 0.846603 0.033560 O\n0.653399 0.723177 0.283560 O\n0.346602 0.276824 0.783560 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.2661675860675707,
"density_atomic": 0.0709868718786988,
"volume": 225.39378869011915,
"volume_molar": 8.48345701200996,
"formula_full": "Na4 Fe4 O8",
"formula_reduced": "NaFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.509887875,
"spacegroup": 92
},
{
"id": "jvasp-66137",
"created_at": "2022-09-04T14:35:51.377602Z",
"updated_at": "2022-09-04T14:35:51.377628Z",
"structure_string": "Ba4 V1 W1\n1.0\n0.000000 4.830271 4.830271\n4.830271 0.000000 4.830271\n4.830271 4.830271 0.000000\nBa V W\n4 1 1\ndirect\n0.123928 0.625357 0.625357 Ba\n0.625357 0.625357 0.625357 Ba\n0.625357 0.123928 0.625357 Ba\n0.625357 0.625357 0.123928 Ba\n0.250000 0.250000 0.250000 V\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"V",
"W"
],
"chemical_system": "Ba-V-W",
"density": 5.776572760167449,
"density_atomic": 0.026619921030034344,
"volume": 225.39510891975996,
"volume_molar": 22.6226845421721,
"formula_full": "Ba4 V1 W1",
"formula_reduced": "Ba4VW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.38738468,
"spacegroup": 216
},
{
"id": "jvasp-11372",
"created_at": "2022-09-04T14:36:53.272332Z",
"updated_at": "2022-09-04T14:36:53.272359Z",
"structure_string": "Zn2 Ag4 Ge2 O8\n1.0\n0.000000 5.641364 -0.010798\n5.580096 0.000000 0.000000\n0.000000 -5.555581 -7.149651\nZn Ag Ge O\n2 4 2 8\ndirect\n0.994507 0.815389 0.497686 Zn\n0.994507 0.184611 0.997686 Zn\n0.525473 0.192568 0.513426 Ag\n0.525473 0.807433 0.013426 Ag\n0.734265 0.297065 0.234768 Ag\n0.734265 0.702935 0.734768 Ag\n0.249078 0.680016 0.249344 Ge\n0.249078 0.319985 0.749344 Ge\n0.596325 0.297515 0.784952 O\n0.596325 0.702486 0.284952 O\n0.289212 0.797591 0.447108 O\n0.289212 0.202409 0.947108 O\n0.142262 0.628099 0.723629 O\n0.966876 0.159385 0.541089 O\n0.142262 0.371902 0.223629 O\n0.966876 0.840615 0.041089 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Ag",
"Ge",
"O"
],
"chemical_system": "Ag-Ge-O-Zn",
"density": 6.155647849584745,
"density_atomic": 0.07098455960534786,
"volume": 225.40113073822025,
"volume_molar": 8.483733354804532,
"formula_full": "Zn2 Ag4 Ge2 O8",
"formula_reduced": "ZnAg2GeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.0730731087499998,
"spacegroup": 7
},
{
"id": "jvasp-66364",
"created_at": "2022-09-04T14:36:20.169430Z",
"updated_at": "2022-09-04T14:36:20.169440Z",
"structure_string": "Ba4 Zn1 Rh1\n1.0\n0.000000 4.830393 4.830393\n4.830393 0.000000 4.830393\n4.830393 4.830393 0.000000\nBa Zn Rh\n4 1 1\ndirect\n0.127107 0.624297 0.624297 Ba\n0.624297 0.624297 0.624297 Ba\n0.624297 0.127107 0.624297 Ba\n0.624297 0.624297 0.127107 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Rh"
],
"chemical_system": "Ba-Rh-Zn",
"density": 5.286494074595096,
"density_atomic": 0.026617904083374857,
"volume": 225.41218802225342,
"volume_molar": 22.6243987548266,
"formula_full": "Ba4 Zn1 Rh1",
"formula_reduced": "Ba4ZnRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1856762133333332,
"spacegroup": 216
},
{
"id": "jvasp-112680",
"created_at": "2022-09-04T14:38:42.691762Z",
"updated_at": "2022-09-04T14:38:42.691796Z",
"structure_string": "Fe2 Cu1 Rh3 S8\n1.0\n5.913781 -0.019310 3.342214\n1.941192 5.586139 3.342214\n-0.027248 -0.019310 6.792825\nFe Cu Rh S\n2 1 3 8\ndirect\n0.381317 0.381318 0.381318 Fe\n0.751161 0.751162 0.751161 Fe\n0.997355 0.997356 0.997356 Cu\n0.377793 0.377794 0.868536 Rh\n0.868535 0.377794 0.377794 Rh\n0.377793 0.868536 0.377794 Rh\n0.132876 0.132877 0.132876 S\n0.141953 0.141954 0.592496 S\n0.592496 0.141954 0.141953 S\n0.141953 0.592496 0.141953 S\n0.623507 0.623507 0.623507 S\n0.617115 0.617116 0.129025 S\n0.129025 0.617116 0.617116 S\n0.617115 0.129026 0.617116 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Fe",
"Cu",
"Rh",
"S"
],
"chemical_system": "Cu-Fe-Rh-S",
"density": 5.454540718679063,
"density_atomic": 0.06210523253806702,
"volume": 225.42383995452857,
"volume_molar": 9.696672106184879,
"formula_full": "Fe2 Cu1 Rh3 S8",
"formula_reduced": "Fe2CuRh3S8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.637052889285714,
"spacegroup": 160
},
{
"id": "jvasp-32189",
"created_at": "2022-09-04T14:38:04.041757Z",
"updated_at": "2022-09-04T14:38:04.041780Z",
"structure_string": "Re2 H8 N2 O8\n1.0\n5.553421 0.000000 -2.410913\n-1.046653 5.453898 -2.410913\n-0.047029 -0.056912 7.493144\nRe H N O\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.750001 0.500000 Re\n0.848193 0.169871 0.599592 H\n0.401807 0.580130 0.900409 H\n0.419871 0.501399 0.099592 H\n0.570280 0.151807 0.400409 H\n0.751399 0.429720 0.599592 H\n0.679720 0.598193 0.099592 H\n0.498602 0.320281 0.900409 H\n0.830129 0.248602 0.400409 H\n0.500000 0.500000 0.000001 N\n0.750000 0.250000 0.500000 N\n0.457987 0.033634 0.663113 O\n0.283635 0.955126 0.163114 O\n0.792013 0.716367 0.836887 O\n0.370521 0.542013 0.336887 O\n0.966366 0.794875 0.336888 O\n0.205126 0.629480 0.663114 O\n0.879479 0.207988 0.163114 O\n0.044874 0.120521 0.836887 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Re",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-Re",
"density": 3.9518642782635443,
"density_atomic": 0.08872059152748701,
"volume": 225.42681079627033,
"volume_molar": 6.787759928465139,
"formula_full": "Re2 H8 N2 O8",
"formula_reduced": "ReH4NO4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 3.724685525000001,
"spacegroup": 88
},
{
"id": "jvasp-50224",
"created_at": "2022-09-04T14:37:01.492480Z",
"updated_at": "2022-09-04T14:37:01.492511Z",
"structure_string": "Y4 Hg2 O8\n1.0\n0.000000 4.830570 4.830626\n4.830439 0.000000 4.830626\n-0.000000 4.830570 -4.830626\nY Hg O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 -0.000000 Y\n0.000000 0.500000 -0.000000 Y\n-0.000000 0.500000 0.500000 Y\n0.625000 0.250000 0.625000 Hg\n0.375000 0.750000 0.375000 Hg\n0.235093 0.029802 0.235091 O\n0.235105 0.029800 0.794710 O\n0.235090 0.470200 0.235094 O\n0.794711 0.470198 0.235104 O\n0.764910 0.529800 0.764905 O\n0.205289 0.529802 0.764895 O\n0.764907 0.970198 0.764908 O\n0.764896 0.970200 0.205290 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Hg",
"O"
],
"chemical_system": "Hg-O-Y",
"density": 6.517411342085304,
"density_atomic": 0.062102580077534546,
"volume": 225.4334680221195,
"volume_molar": 9.697086260315446,
"formula_full": "Y4 Hg2 O8",
"formula_reduced": "Y2HgO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.8543456428571423,
"spacegroup": 227
}
]
}