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=id&page=4619",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4617",
"results": [
{
"id": "jvasp-99662",
"created_at": "2022-09-04T14:36:22.216383Z",
"updated_at": "2022-09-04T14:36:22.216408Z",
"structure_string": "Ce1 Ga1 Ni4\n1.0\n5.069692 0.000000 0.000000\n-2.534846 4.390482 0.000000\n-0.000000 -0.000000 3.883688\nCe Ga Ni\n1 1 4\ndirect\n0.333333 0.666666 -0.000000 Ce\n0.000000 0.000000 0.000000 Ga\n0.666666 0.333333 -0.000000 Ni\n0.830844 0.169155 0.500000 Ni\n0.830844 0.661690 0.500000 Ni\n0.338309 0.169155 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Ni"
],
"chemical_system": "Ce-Ga-Ni",
"density": 8.540685977702545,
"density_atomic": 0.0694085770341963,
"volume": 86.44464785733777,
"volume_molar": 8.676363955758674,
"formula_full": "Ce1 Ga1 Ni4",
"formula_reduced": "CeGaNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.014922904166667,
"spacegroup": 187
},
{
"id": "jvasp-99663",
"created_at": "2022-09-04T14:36:22.326165Z",
"updated_at": "2022-09-04T14:36:22.326195Z",
"structure_string": "Ca2 Ir1 Pt1 O6\n1.0\n5.180271 -0.005584 0.012277\n4.197246 3.036177 0.012277\n-0.009388 -0.003034 7.372185\nCa Ir Pt O\n2 1 1 6\ndirect\n0.750914 0.750917 0.253258 Ca\n0.249084 0.249087 0.746742 Ca\n-0.000001 0.000001 0.500000 Ir\n0.000000 0.000000 0.000000 Pt\n0.370321 0.370322 0.045939 O\n0.629677 0.629681 0.954061 O\n0.375526 0.375528 0.447586 O\n0.624472 0.624475 0.552414 O\n0.082861 0.082862 0.252284 O\n0.917136 0.917141 0.747716 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Ir",
"Pt",
"O"
],
"chemical_system": "Ca-Ir-O-Pt",
"density": 8.057182107091819,
"density_atomic": 0.08611445914538506,
"volume": 116.12451729061237,
"volume_molar": 6.993181888111216,
"formula_full": "Ca2 Ir1 Pt1 O6",
"formula_reduced": "Ca2IrPtO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.310271434,
"spacegroup": 12
},
{
"id": "jvasp-99664",
"created_at": "2022-09-04T14:36:31.250604Z",
"updated_at": "2022-09-04T14:36:31.250620Z",
"structure_string": "Na3 Al1 Si1 Te4\n1.0\n4.124676 0.255482 1.306255\n1.687279 9.072475 7.218391\n1.367083 2.454013 9.537767\nNa Al Si Te\n3 1 1 4\ndirect\n0.042667 0.577773 0.073955 Na\n0.246325 0.281222 0.666148 Na\n0.541616 0.801448 0.351710 Na\n0.527086 0.922803 0.744842 Al\n0.797868 0.315912 0.080426 Si\n0.299546 0.719166 0.175947 Te\n0.018054 0.151092 0.525801 Te\n0.488388 0.264460 -0.059084 Te\n0.788455 0.716125 0.690253 Te\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"Al",
"Si",
"Te"
],
"chemical_system": "Al-Na-Si-Te",
"density": 3.8808114709498565,
"density_atomic": 0.0331533868957371,
"volume": 271.46547736747914,
"volume_molar": 18.16448129097282,
"formula_full": "Na3 Al1 Si1 Te4",
"formula_reduced": "Na3AlSiTe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7723977185185186,
"spacegroup": 6
},
{
"id": "jvasp-99665",
"created_at": "2022-09-04T14:36:32.842397Z",
"updated_at": "2022-09-04T14:36:32.842418Z",
"structure_string": "In2 C2 N4\n1.0\n3.700314 0.000000 0.000000\n-1.850157 3.204580 0.000000\n-0.000000 -0.000000 9.934946\nIn C N\n2 2 4\ndirect\n0.000000 0.000013 0.000000 In\n0.000000 0.000013 0.500000 In\n0.666665 0.333355 0.250000 C\n0.333333 0.666676 0.750000 C\n0.666665 0.333353 0.125177 N\n0.333333 0.666677 0.874824 N\n0.333333 0.666677 0.625177 N\n0.666665 0.333353 0.374824 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"C",
"N"
],
"chemical_system": "C-In-N",
"density": 4.365087343316702,
"density_atomic": 0.06790703670444127,
"volume": 117.80811515630135,
"volume_molar": 8.8682131517692,
"formula_full": "In2 C2 N4",
"formula_reduced": "InCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9882816175,
"spacegroup": 194
},
{
"id": "jvasp-99666",
"created_at": "2022-09-04T14:36:30.902124Z",
"updated_at": "2022-09-04T14:36:30.902152Z",
"structure_string": "Li2 Ti1 Cr1 O4\n1.0\n2.454947 -0.000420 4.545450\n0.027164 2.925768 9.925695\n0.026891 -0.000417 9.925493\nLi Ti Cr O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000001 0.500000 -0.000000 Li\n0.500000 -0.000001 0.500000 Ti\n0.500002 0.499999 0.500000 Cr\n0.256382 -0.000009 0.238409 O\n0.249204 0.499993 0.244382 O\n0.743618 0.000009 0.761591 O\n0.750795 0.500007 0.755618 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 4.160341131674032,
"density_atomic": 0.11276596974488134,
"volume": 70.94338848944395,
"volume_molar": 5.3403883934349405,
"formula_full": "Li2 Ti1 Cr1 O4",
"formula_reduced": "Li2TiCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.542819966666667,
"spacegroup": 10
},
{
"id": "jvasp-99667",
"created_at": "2022-09-04T14:36:33.972953Z",
"updated_at": "2022-09-04T14:36:33.972980Z",
"structure_string": "Er2 Cl6\n1.0\n8.948118 0.000000 0.000000\n-4.474059 7.749297 0.000000\n-0.000000 -0.000000 3.552858\nEr Cl\n2 6\ndirect\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.207636 0.415273 0.250000 Cl\n0.584728 0.792364 0.250000 Cl\n0.207636 0.792364 0.250000 Cl\n0.792364 0.584728 0.750000 Cl\n0.415273 0.207636 0.750000 Cl\n0.792364 0.207636 0.750000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Cl"
],
"chemical_system": "Cl-Er",
"density": 3.688517927666965,
"density_atomic": 0.03247267966854552,
"volume": 246.36094346562825,
"volume_molar": 18.545253491455195,
"formula_full": "Er2 Cl6",
"formula_reduced": "ErCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-99668",
"created_at": "2022-09-04T14:36:32.796401Z",
"updated_at": "2022-09-04T14:36:32.796420Z",
"structure_string": "Mg3 Si2\n1.0\n4.833251 0.003889 1.922640\n-1.476369 4.602246 1.922640\n-0.040061 -0.054970 4.338031\nMg Si\n3 2\ndirect\n0.706680 0.293320 0.500000 Mg\n0.293320 0.706681 0.499999 Mg\n0.000000 0.000000 0.000000 Mg\n0.705966 0.705967 0.768443 Si\n0.294034 0.294034 0.231556 Si\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.19757790456115,
"density_atomic": 0.051260878317193656,
"volume": 97.54027172653664,
"volume_molar": 11.748024922117038,
"formula_full": "Mg3 Si2",
"formula_reduced": "Mg3Si2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.0633907028571428,
"spacegroup": 12
},
{
"id": "jvasp-99669",
"created_at": "2022-09-04T14:36:33.287098Z",
"updated_at": "2022-09-04T14:36:33.287126Z",
"structure_string": "Bi2 Te1 O2\n1.0\n6.725500 -0.007741 2.010234\n5.528679 3.829893 2.009694\n-0.000146 0.000467 4.019927\nBi Te O\n2 1 2\ndirect\n0.650028 0.656341 0.343658 Bi\n0.343659 0.349972 0.650028 Bi\n0.996808 0.003192 0.996809 Te\n0.246829 0.253170 0.246829 O\n0.746829 0.753171 0.746829 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Bi",
"Te",
"O"
],
"chemical_system": "Bi-O-Te",
"density": 9.24688610562931,
"density_atomic": 0.048208054838870175,
"volume": 103.71710737369345,
"volume_molar": 12.491980396488318,
"formula_full": "Bi2 Te1 O2",
"formula_reduced": "Bi2TeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.401644673333333,
"spacegroup": 139
},
{
"id": "jvasp-9967",
"created_at": "2022-09-04T14:37:19.736782Z",
"updated_at": "2022-09-04T14:37:19.736802Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n3.012771 0.000000 0.000000\n-1.506386 4.896517 0.000000\n0.000000 -0.000000 9.938201\nCa Cr O\n2 4 8\ndirect\n0.388465 0.776934 0.750000 Ca\n0.611534 0.223067 0.250000 Ca\n0.864247 0.728498 0.069751 Cr\n0.135751 0.271502 0.930249 Cr\n0.864247 0.728498 0.430249 Cr\n0.135751 0.271502 0.569751 Cr\n0.236889 0.473781 0.393327 O\n0.763109 0.526219 0.606673 O\n0.763109 0.526219 0.893327 O\n0.236889 0.473781 0.106673 O\n0.941868 0.883740 0.250000 O\n0.058131 0.116261 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.713275254880536,
"density_atomic": 0.09549197388892974,
"volume": 146.6091801210845,
"volume_molar": 6.3064365671240346,
"formula_full": "Ca2 Cr4 O8",
"formula_reduced": "CaCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.710732745714286,
"spacegroup": 63
},
{
"id": "jvasp-99670",
"created_at": "2022-09-04T14:36:33.472395Z",
"updated_at": "2022-09-04T14:36:33.472418Z",
"structure_string": "W2 N4\n1.0\n5.218170 -0.110740 -3.103892\n-1.741688 4.920171 -3.103892\n0.080048 0.110740 6.070999\nW N\n2 4\ndirect\n0.500000 0.500000 0.000000 W\n0.250000 0.750000 0.500000 W\n0.875000 0.625460 0.250460 N\n0.375460 0.125000 0.750460 N\n0.375000 0.624540 0.749541 N\n0.374540 0.625000 0.249541 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 4.443489596040767,
"density_atomic": 0.037893165493969636,
"volume": 158.33989907638747,
"volume_molar": 15.892419336036658,
"formula_full": "W2 N4",
"formula_reduced": "WN2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.316882166666666,
"spacegroup": 227
},
{
"id": "jvasp-99671",
"created_at": "2022-09-04T14:36:33.709492Z",
"updated_at": "2022-09-04T14:36:33.709514Z",
"structure_string": "Sb1 O1 F3\n1.0\n3.674936 -0.135230 -3.406387\n-0.695425 3.364052 -3.650540\n0.121712 0.135230 5.009372\nSb O F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sb\n-0.000001 0.500000 0.499999 O\n0.771975 0.771974 -0.000001 F\n0.500000 0.000000 0.500000 F\n0.228025 0.228025 -0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.971716148093701,
"density_atomic": 0.07686692123597375,
"volume": 65.04748622168047,
"volume_molar": 7.834502362222406,
"formula_full": "Sb1 O1 F3",
"formula_reduced": "SbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3708880894999998,
"spacegroup": 71
},
{
"id": "jvasp-99672",
"created_at": "2022-09-04T14:36:33.878617Z",
"updated_at": "2022-09-04T14:36:33.878640Z",
"structure_string": "Rb2 In1 As1 Br6\n1.0\n6.886187 0.000000 3.975742\n2.295395 6.492359 3.975742\n-0.000000 -0.000000 7.951483\nRb In As Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 In\n0.000000 0.000000 0.000000 As\n0.761759 0.238242 0.238241 Br\n0.238242 0.238242 0.761758 Br\n0.238242 0.761758 0.761757 Br\n0.238242 0.761758 0.238241 Br\n0.761759 0.238242 0.761758 Br\n0.761759 0.761758 0.238241 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"As",
"Br"
],
"chemical_system": "As-Br-In-Rb",
"density": 3.9241915224292807,
"density_atomic": 0.028130051457535672,
"volume": 355.49170662185657,
"volume_molar": 21.408210962894447,
"formula_full": "Rb2 In1 As1 Br6",
"formula_reduced": "Rb2InAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}