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_anonymous&page=1560",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1558",
"results": [
{
"id": "jvasp-90220",
"created_at": "2022-09-04T14:36:15.865752Z",
"updated_at": "2022-09-04T14:36:15.865771Z",
"structure_string": "Ba2 N1 O6\n1.0\n0.000000 0.000000 -3.912548\n-3.416811 -5.918091 0.000000\n-3.416947 5.918169 0.000000\nBa N O\n2 1 6\ndirect\n0.000000 0.333325 0.666671 Ba\n0.000000 0.666653 0.333330 Ba\n0.000000 -0.000010 0.000000 N\n0.000000 0.814532 -0.000000 O\n0.000000 0.185447 0.185457 O\n0.000000 -0.000010 0.814544 O\n0.500000 0.469535 -0.000000 O\n0.500000 0.530438 0.530448 O\n0.500000 0.999989 0.469552 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"N",
"O"
],
"chemical_system": "Ba-N-O",
"density": 4.036631229771849,
"density_atomic": 0.056877268931910606,
"volume": 158.23544570633578,
"volume_molar": 10.587956969609907,
"formula_full": "Ba2 N1 O6",
"formula_reduced": "Ba2NO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.37763291,
"spacegroup": 189
},
{
"id": "jvasp-96743",
"created_at": "2022-09-04T14:36:08.953136Z",
"updated_at": "2022-09-04T14:36:08.953159Z",
"structure_string": "Nb8 Zn4 O24\n1.0\n5.085971 0.000000 0.000000\n0.000000 5.807221 0.000000\n0.000000 0.000000 14.358224\nNb Zn O\n8 4 24\ndirect\n0.250864 0.316187 0.659806 Nb\n0.749136 0.683813 0.340193 Nb\n0.249136 0.816187 0.159806 Nb\n0.750864 0.683813 0.659806 Nb\n0.750864 0.183813 0.840193 Nb\n0.749136 0.183813 0.159806 Nb\n0.249136 0.316187 0.340193 Nb\n0.250864 0.816187 0.840193 Nb\n0.750000 0.171430 0.500000 Zn\n0.250000 0.828570 0.500000 Zn\n0.750000 0.671430 0.000000 Zn\n0.250000 0.328570 0.000000 Zn\n0.425548 0.105100 0.904935 O\n0.086055 0.615367 0.079280 O\n0.586055 0.884632 0.420720 O\n0.413945 0.615367 0.920719 O\n0.913945 0.884632 0.579280 O\n0.925547 0.394899 0.595065 O\n0.920777 0.378075 0.255560 O\n0.074452 0.605100 0.404935 O\n0.420777 0.121925 0.244440 O\n0.579223 0.378075 0.744439 O\n0.079223 0.121925 0.755560 O\n0.079223 0.621925 0.744439 O\n0.579223 0.878075 0.755560 O\n0.420777 0.621925 0.255560 O\n0.074452 0.105100 0.095065 O\n0.920777 0.878075 0.244440 O\n0.413945 0.115367 0.579280 O\n0.586055 0.384632 0.079280 O\n0.086055 0.115367 0.420720 O\n0.925547 0.894899 0.904935 O\n0.425548 0.605100 0.595065 O\n0.574452 0.894899 0.095065 O\n0.913945 0.384632 0.920719 O\n0.574452 0.394899 0.404935 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Nb",
"Zn",
"O"
],
"chemical_system": "Nb-O-Zn",
"density": 5.438367630539837,
"density_atomic": 0.08489058823522029,
"volume": 424.0752802919552,
"volume_molar": 7.094002863207246,
"formula_full": "Nb8 Zn4 O24",
"formula_reduced": "Nb2ZnO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.860865577777778,
"spacegroup": 60
},
{
"id": "jvasp-50919",
"created_at": "2022-09-04T14:37:11.603680Z",
"updated_at": "2022-09-04T14:37:11.603699Z",
"structure_string": "Sr1 As2 O6\n1.0\n4.948778 0.000003 0.000027\n-2.474387 4.285804 -0.000014\n0.000029 -0.000001 5.447207\nSr As O\n1 2 6\ndirect\n-0.000010 0.000001 -0.000000 Sr\n0.333321 0.666663 0.500001 As\n0.666657 0.333337 0.500002 As\n-0.000012 0.616759 0.694099 O\n0.999989 0.383238 0.305903 O\n0.383228 0.383239 0.694098 O\n0.616749 0.616759 0.305903 O\n0.383228 -0.000000 0.305901 O\n0.616750 -0.000000 0.694099 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"As",
"O"
],
"chemical_system": "As-O-Sr",
"density": 4.79278572714447,
"density_atomic": 0.07790013321620248,
"volume": 115.53253670339149,
"volume_molar": 7.730591093196554,
"formula_full": "Sr1 As2 O6",
"formula_reduced": "Sr(AsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.2283523122222224,
"spacegroup": 162
},
{
"id": "jvasp-89098",
"created_at": "2022-09-04T14:36:08.754081Z",
"updated_at": "2022-09-04T14:36:08.754118Z",
"structure_string": "Zr6 Ga2 Co1\n1.0\n7.817783 -0.000000 0.000000\n-3.908892 6.770399 -0.000000\n0.000000 -0.000000 3.367121\nZr Ga Co\n6 2 1\ndirect\n0.249884 0.000000 0.000000 Zr\n0.750116 0.750116 0.000000 Zr\n0.000000 0.249884 0.000000 Zr\n0.000000 0.594466 0.500000 Zr\n0.405534 0.405534 0.500000 Zr\n0.594465 0.000000 0.500000 Zr\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Zr",
"density": 6.948165437252426,
"density_atomic": 0.05049936427312676,
"volume": 178.2200653323739,
"volume_molar": 11.925181329866133,
"formula_full": "Zr6 Ga2 Co1",
"formula_reduced": "Zr6Ga2Co",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.671644727777779,
"spacegroup": 189
},
{
"id": "jvasp-16144",
"created_at": "2022-09-04T14:36:11.774003Z",
"updated_at": "2022-09-04T14:36:11.774025Z",
"structure_string": "Th1 Cr2 B6\n1.0\n3.007099 0.000000 0.891780\n1.150186 5.167897 1.637435\n-0.007676 0.000001 5.541772\nTh Cr B\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Th\n0.845480 0.654520 0.654520 Cr\n0.154520 0.345480 0.345480 Cr\n0.696554 0.539833 0.067060 B\n0.303446 0.460167 0.932941 B\n0.303447 0.932941 0.460167 B\n0.500000 0.359677 0.640323 B\n0.500000 0.640323 0.359677 B\n0.696553 0.067059 0.539833 B\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Th",
"Cr",
"B"
],
"chemical_system": "B-Cr-Th",
"density": 7.726673033320978,
"density_atomic": 0.10446094300383778,
"volume": 86.15660304415738,
"volume_molar": 5.76496878817067,
"formula_full": "Th1 Cr2 B6",
"formula_reduced": "Th(CrB3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 5.170605100000001,
"spacegroup": 71
},
{
"id": "jvasp-22682",
"created_at": "2022-09-04T14:36:19.501539Z",
"updated_at": "2022-09-04T14:36:19.501574Z",
"structure_string": "Sr2 Mg1 H6\n1.0\n5.474434 -0.000009 -0.000007\n-2.737225 4.740995 0.000004\n-0.000007 -0.000000 4.189851\nSr Mg H\n2 1 6\ndirect\n0.666664 0.333332 0.263827 Sr\n0.333333 0.666666 0.736171 Sr\n0.000000 0.000000 0.000000 Mg\n0.823226 0.646457 0.763586 H\n0.823225 0.176768 0.763586 H\n0.353539 0.176770 0.763584 H\n0.176771 0.353541 0.236412 H\n0.176772 0.823231 0.236412 H\n0.646458 0.823229 0.236414 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"H"
],
"chemical_system": "H-Mg-Sr",
"density": 3.139422544305918,
"density_atomic": 0.08276288502406987,
"volume": 108.74439668678221,
"volume_molar": 7.276378485656446,
"formula_full": "Sr2 Mg1 H6",
"formula_reduced": "Sr2MgH6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.7075712966666672,
"spacegroup": 164
},
{
"id": "jvasp-99656",
"created_at": "2022-09-04T14:36:09.471464Z",
"updated_at": "2022-09-04T14:36:09.471480Z",
"structure_string": "Mg6 Si1 Ge2\n1.0\n5.818660 0.003610 -5.206316\n-0.583581 4.278855 -6.504874\n0.001130 -0.003610 7.807851\nMg Si Ge\n6 1 2\ndirect\n0.750803 0.500000 0.250802 Mg\n0.415808 0.166224 0.249582 Mg\n0.083358 0.833775 0.249582 Mg\n0.249197 0.499999 0.749197 Mg\n0.916642 0.166224 0.750417 Mg\n0.584192 0.833775 0.750417 Mg\n0.000000 0.000000 0.000000 Si\n0.666676 0.666676 -0.000001 Ge\n0.333324 0.333323 -0.000000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Ge"
],
"chemical_system": "Ge-Mg-Si",
"density": 2.7281025489167687,
"density_atomic": 0.04632307099151516,
"volume": 194.28763696708492,
"volume_molar": 13.000305530484054,
"formula_full": "Mg6 Si1 Ge2",
"formula_reduced": "Mg6SiGe2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-22718",
"created_at": "2022-09-04T14:36:38.803118Z",
"updated_at": "2022-09-04T14:36:38.803140Z",
"structure_string": "Rb2 Ge1 F6\n1.0\n5.854896 0.000000 0.000000\n-2.927448 5.070489 -0.000000\n0.000000 -0.000000 4.761938\nRb Ge F\n2 1 6\ndirect\n0.333333 0.666667 0.699576 Rb\n0.666667 0.333333 0.300425 Rb\n0.000000 0.000000 0.000000 Ge\n0.849666 0.150335 0.783496 F\n0.849666 0.699330 0.783496 F\n0.300671 0.150335 0.783496 F\n0.150335 0.849665 0.216504 F\n0.150335 0.300670 0.216504 F\n0.699330 0.849665 0.216504 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"F"
],
"chemical_system": "F-Ge-Rb",
"density": 4.200031719619488,
"density_atomic": 0.06366338739237437,
"volume": 141.36853800333634,
"volume_molar": 9.459347054350008,
"formula_full": "Rb2 Ge1 F6",
"formula_reduced": "Rb2GeF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-100639",
"created_at": "2022-09-04T14:36:33.582959Z",
"updated_at": "2022-09-04T14:36:33.582991Z",
"structure_string": "Ta2 Cr1 Si6\n1.0\n4.768061 0.004266 0.000000\n-2.466111 4.080774 0.000000\n0.000000 0.000000 6.525969\nTa Cr Si\n2 1 6\ndirect\n0.500000 0.000000 0.663938 Ta\n-0.000000 0.500000 0.336062 Ta\n0.500000 0.500000 0.000000 Cr\n0.159672 0.840327 0.000000 Si\n0.169856 0.323799 0.675141 Si\n0.676201 0.830144 0.324859 Si\n0.840329 0.159672 0.000000 Si\n0.830144 0.676201 0.675141 Si\n0.323799 0.169856 0.324859 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"Si"
],
"chemical_system": "Cr-Si-Ta",
"density": 7.612196303527446,
"density_atomic": 0.0708399752769788,
"volume": 127.04691051642381,
"volume_molar": 8.501048647255871,
"formula_full": "Ta2 Cr1 Si6",
"formula_reduced": "Ta2CrSi6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.840007488888888,
"spacegroup": 21
},
{
"id": "jvasp-105945",
"created_at": "2022-09-04T14:36:12.328890Z",
"updated_at": "2022-09-04T14:36:12.328909Z",
"structure_string": "Co1 H6 Cl2\n1.0\n4.544675 0.033650 0.824196\n1.044167 4.423225 0.824196\n-0.052160 -0.041595 5.806331\nCo H Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.092296 0.239631 0.773170 H\n0.907706 0.760369 0.226831 H\n0.760369 0.907705 0.226831 H\n0.239632 0.092295 0.773170 H\n0.515146 0.515145 0.557948 H\n0.484856 0.484855 0.442053 H\n0.800036 0.800035 0.777079 Cl\n0.199966 0.199965 0.222922 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"H",
"Cl"
],
"chemical_system": "Cl-Co-H",
"density": 1.9314942760409428,
"density_atomic": 0.07703879018394443,
"volume": 116.82426448430496,
"volume_molar": 7.817024054532815,
"formula_full": "Co1 H6 Cl2",
"formula_reduced": "Co(H3Cl)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.4818698927777776,
"spacegroup": 12
},
{
"id": "jvasp-8137",
"created_at": "2022-09-04T14:36:33.706669Z",
"updated_at": "2022-09-04T14:36:33.706684Z",
"structure_string": "Ba2 Zn1 F6\n1.0\n4.048187 0.000000 -0.989835\n-0.242028 4.040945 -0.989835\n-0.063961 -0.067906 8.511388\nBa Zn F\n2 1 6\ndirect\n0.849871 0.849869 0.699743 Ba\n0.150129 0.150128 0.300258 Ba\n0.500000 0.499999 0.000001 Zn\n0.622424 0.622423 0.244849 F\n0.377576 0.377575 0.755152 F\n-0.000000 0.499999 0.000000 F\n0.750001 0.249999 0.500001 F\n0.250000 0.749999 0.500001 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"F"
],
"chemical_system": "Ba-F-Zn",
"density": 5.436419416667815,
"density_atomic": 0.06489323376071184,
"volume": 138.689343686997,
"volume_molar": 9.28007499550126,
"formula_full": "Ba2 Zn1 F6",
"formula_reduced": "Ba2ZnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-90322",
"created_at": "2022-09-04T14:36:19.641284Z",
"updated_at": "2022-09-04T14:36:19.641318Z",
"structure_string": "Mo2 W1 Se6\n1.0\n3.326203 0.000001 -0.000005\n-1.663101 2.880585 0.000015\n-0.000041 -0.000029 28.557660\nMo W Se\n2 1 6\ndirect\n0.333337 0.666653 0.116281 Mo\n0.666658 0.333320 0.346791 Mo\n0.333319 0.666656 0.577875 W\n0.333320 0.666638 0.405405 Se\n0.666663 0.333310 0.057732 Se\n0.666653 0.333327 0.518999 Se\n0.666662 0.333302 0.174906 Se\n0.666658 0.333332 0.636677 Se\n0.333323 0.666651 0.288177 Se\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-W",
"density": 5.155254570748119,
"density_atomic": 0.032892006663448874,
"volume": 273.622709982034,
"volume_molar": 18.30882749604962,
"formula_full": "Mo2 W1 Se6",
"formula_reduced": "Mo2WSe6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.6420113333333335,
"spacegroup": 156
}
]
}