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=3439",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3437",
"results": [
{
"id": "jvasp-42923",
"created_at": "2022-09-04T14:38:07.381445Z",
"updated_at": "2022-09-04T14:38:07.381475Z",
"structure_string": "V6 O8 F4\n1.0\n4.633074 -0.002343 -0.020676\n-0.002343 4.633074 -0.020676\n-0.043101 -0.043101 8.933290\nV O F\n6 8 4\ndirect\n0.987627 0.958461 0.013154 V\n0.041539 0.012373 0.320178 V\n0.013841 0.986159 0.666667 V\n0.513317 0.486683 0.166667 V\n0.490904 0.540181 0.820796 V\n0.459820 0.509097 0.512536 V\n0.805953 0.194047 0.166667 O\n0.696748 0.710022 0.665646 O\n0.693483 0.685184 0.996903 O\n0.289978 0.303252 0.667686 O\n0.190518 0.808470 0.835770 O\n0.191530 0.809482 0.497562 O\n0.212410 0.787590 0.166667 O\n0.314816 0.306517 0.336432 O\n0.791972 0.197095 0.836952 F\n0.296342 0.293702 0.995921 F\n0.706298 0.703658 0.337412 F\n0.802905 0.208028 0.496380 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.4134646985026675,
"density_atomic": 0.09387315656642772,
"volume": 191.74810625721966,
"volume_molar": 6.4151893685800765,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.647271907222222,
"spacegroup": 5
},
{
"id": "jvasp-91690",
"created_at": "2022-09-04T14:36:15.123971Z",
"updated_at": "2022-09-04T14:36:15.123996Z",
"structure_string": "Si2 Pt6\n1.0\n0.000000 -0.000000 3.979129\n5.522226 -0.000000 0.000000\n0.000000 5.522226 0.000000\nSi Pt\n2 6\ndirect\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.318043 0.818043 Pt\n0.000000 0.681958 0.181957 Pt\n0.000000 0.181957 0.318043 Pt\n0.000000 0.818043 0.681958 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Pt"
],
"chemical_system": "Pt-Si",
"density": 16.786580604047707,
"density_atomic": 0.06592856384068872,
"volume": 121.34345925282676,
"volume_molar": 9.134342399073091,
"formula_full": "Si2 Pt6",
"formula_reduced": "SiPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6473357,
"spacegroup": 127
},
{
"id": "jvasp-8389",
"created_at": "2022-09-04T14:37:17.123093Z",
"updated_at": "2022-09-04T14:37:17.123120Z",
"structure_string": "Ca1 W1 O3\n1.0\n3.982209 -0.014063 -0.040251\n0.211817 3.976575 -0.044257\n0.032919 0.035110 3.982580\nCa W O\n1 1 3\ndirect\n0.528966 0.528825 0.508557 Ca\n0.968508 0.968530 0.011412 W\n0.961776 0.961818 0.511485 O\n0.960397 0.467039 0.011766 O\n0.467014 0.960445 0.011764 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"W",
"O"
],
"chemical_system": "Ca-O-W",
"density": 7.156947044810106,
"density_atomic": 0.07925261998109523,
"volume": 63.08939693340978,
"volume_molar": 7.598664575930121,
"formula_full": "Ca1 W1 O3",
"formula_reduced": "CaWO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.647354184,
"spacegroup": 38
},
{
"id": "jvasp-119150",
"created_at": "2022-09-04T14:38:51.403035Z",
"updated_at": "2022-09-04T14:38:51.403064Z",
"structure_string": "Sb6 O13\n1.0\n6.358777 0.000012 -3.729504\n-2.076970 5.993909 -3.755330\n0.008126 -0.000012 7.371783\nSb O\n6 13\ndirect\n0.247439 0.999636 0.247802 Sb\n0.751835 0.999636 0.752199 Sb\n0.746701 0.996211 0.249511 Sb\n0.746701 0.497190 0.750490 Sb\n0.252455 0.515605 0.263151 Sb\n0.252455 0.989304 0.736850 Sb\n0.654375 0.059333 0.981158 O\n0.654374 0.673216 0.595040 O\n0.078176 0.059333 0.404961 O\n0.676738 0.676738 0.000000 O\n0.069322 0.069322 0.000000 O\n0.839062 0.324890 0.908941 O\n0.839061 0.930121 0.514171 O\n0.078176 0.673216 0.018843 O\n0.415950 0.930121 0.091060 O\n0.816048 0.316047 0.500001 O\n0.426653 0.926652 0.500000 O\n0.415950 0.324890 0.485830 O\n0.163541 0.663540 0.500000 O\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.543331626877027,
"density_atomic": 0.06757980468332422,
"volume": 281.1490812829824,
"volume_molar": 8.91115443174106,
"formula_full": "Sb6 O13",
"formula_reduced": "Sb6O13",
"formula_anonymous": "A6B13",
"energy_above_hull": 2.6474522157894738,
"spacegroup": 44
},
{
"id": "jvasp-60626",
"created_at": "2022-09-04T14:36:03.763844Z",
"updated_at": "2022-09-04T14:36:03.763871Z",
"structure_string": "P8 O20\n1.0\n4.937585 -0.000000 0.000000\n0.000000 7.195652 0.000000\n0.000000 0.000000 9.217406\nP O\n8 20\ndirect\n0.250000 0.705645 0.241339 P\n0.749999 0.294355 0.758662 P\n0.749999 0.205645 0.258662 P\n0.250000 0.794355 0.741339 P\n0.250000 0.342408 0.404641 P\n0.749999 0.657592 0.595359 P\n0.749999 0.842408 0.095359 P\n0.250000 0.157592 0.904641 P\n0.250000 0.090416 0.054562 O\n0.998681 0.712978 0.133620 O\n0.498682 0.287022 0.866381 O\n0.501317 0.712978 0.133620 O\n0.501317 0.787021 0.633620 O\n0.001318 0.287022 0.866381 O\n0.749999 0.909584 0.945438 O\n0.001318 0.212978 0.366380 O\n0.749999 0.590415 0.445438 O\n0.749999 0.161368 0.640165 O\n0.250000 0.661367 0.859836 O\n0.749999 0.338632 0.140165 O\n0.998681 0.787021 0.633620 O\n0.250000 0.838632 0.359836 O\n0.250000 0.010424 0.776867 O\n0.749999 -0.010424 0.223134 O\n0.749999 0.510424 0.723134 O\n0.250000 0.489576 0.276867 O\n0.250000 0.409584 0.554562 O\n0.498682 0.212978 0.366380 O\n",
"nsites": 28,
"nelements": 2,
"elements": [
"P",
"O"
],
"chemical_system": "O-P",
"density": 2.87895102920205,
"density_atomic": 0.08549969734299258,
"volume": 327.4865393695436,
"volume_molar": 7.043464418173833,
"formula_full": "P8 O20",
"formula_reduced": "P2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.647491214285714,
"spacegroup": 62
},
{
"id": "jvasp-23436",
"created_at": "2022-09-04T14:38:16.825194Z",
"updated_at": "2022-09-04T14:38:16.825212Z",
"structure_string": "Li2 Mn4 S8\n1.0\n6.044738 -0.000000 -3.173564\n-1.666161 5.810574 -3.173564\n-0.279103 -0.370383 6.811924\nLi Mn S\n2 4 8\ndirect\n0.375002 0.625001 0.750000 Li\n0.624999 0.375000 0.250001 Li\n0.000000 0.500001 0.000001 Mn\n0.000001 0.000000 0.500000 Mn\n0.500002 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.760898 0.782593 0.521796 S\n0.760799 0.239104 0.978208 S\n0.217408 0.239104 0.978206 S\n0.239103 0.217407 0.478206 S\n0.239102 0.760797 0.478205 S\n0.239202 0.760897 0.021796 S\n0.760898 0.239202 0.521795 S\n0.782593 0.760897 0.021795 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-S",
"density": 3.616658842246781,
"density_atomic": 0.06220907896982465,
"volume": 225.04753698074984,
"volume_molar": 9.680485324209863,
"formula_full": "Li2 Mn4 S8",
"formula_reduced": "Li(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.647610640394088,
"spacegroup": 227
},
{
"id": "jvasp-15566",
"created_at": "2022-09-04T14:36:34.194821Z",
"updated_at": "2022-09-04T14:36:34.194839Z",
"structure_string": "Er1 Si2 Rh2\n1.0\n3.797803 0.000000 -1.428871\n-0.537593 3.759562 -1.428871\n-0.009721 -0.011210 5.735700\nEr Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.620938 0.620937 0.241875 Si\n0.379062 0.379062 0.758126 Si\n0.250001 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Si",
"Rh"
],
"chemical_system": "Er-Rh-Si",
"density": 8.716454214379588,
"density_atomic": 0.06114480469623023,
"volume": 81.7730962563409,
"volume_molar": 9.84898192073428,
"formula_full": "Er1 Si2 Rh2",
"formula_reduced": "Er(SiRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.64763864,
"spacegroup": 139
},
{
"id": "jvasp-45935",
"created_at": "2022-09-04T14:38:07.529955Z",
"updated_at": "2022-09-04T14:38:07.529982Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n5.021404 0.010070 -0.010134\n-0.868687 5.020694 0.004845\n-0.017595 -1.741129 5.671848\nLi V Cr O\n4 2 2 8\ndirect\n-0.000010 0.000009 -0.000001 Li\n0.497489 0.005206 0.757314 Li\n0.000019 -0.000015 0.499999 Li\n0.502517 0.994808 0.242701 Li\n0.747235 0.499543 0.617068 V\n0.252752 0.500441 0.382926 V\n0.248825 0.499667 0.878995 Cr\n0.751173 0.500327 0.121004 Cr\n0.876269 0.274141 0.819104 O\n0.621185 0.725653 0.930853 O\n0.372574 0.266667 0.575052 O\n0.124404 0.731436 0.689474 O\n0.875586 0.268567 0.310522 O\n0.627413 0.733332 0.424949 O\n0.378817 0.274352 0.069150 O\n0.123733 0.725863 0.180890 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.197351335315101,
"density_atomic": 0.11183467311373788,
"volume": 143.06833072894764,
"volume_molar": 5.384860162174726,
"formula_full": "Li4 V2 Cr2 O8",
"formula_reduced": "Li2VCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.64765195,
"spacegroup": 2
},
{
"id": "jvasp-45934",
"created_at": "2022-09-04T14:38:07.432564Z",
"updated_at": "2022-09-04T14:38:07.432578Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n5.075049 0.015098 -0.000038\n-1.638633 4.745212 -0.000023\n-0.000107 -0.000172 5.934509\nLi V Cr O\n4 2 2 8\ndirect\n-0.000030 -0.000030 0.009121 Li\n0.000030 0.000024 0.499461 Li\n0.000036 0.500023 0.250540 Li\n-0.000018 0.499991 0.740881 Li\n0.499987 -0.000001 0.757826 V\n0.499985 0.499977 0.992174 V\n0.500007 0.000009 0.254211 Cr\n0.500012 0.500017 0.495789 Cr\n0.732489 0.240003 0.007392 O\n0.725704 0.240540 0.499841 O\n0.274306 0.259476 0.250163 O\n0.725703 0.740533 0.250162 O\n0.267497 0.259979 0.742584 O\n0.267503 0.759971 0.007407 O\n0.732483 0.740010 0.742619 O\n0.274307 0.759483 0.499834 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 4.197514940471205,
"density_atomic": 0.1118390322268287,
"volume": 143.062754401784,
"volume_molar": 5.3846502782553305,
"formula_full": "Li4 V2 Cr2 O8",
"formula_reduced": "Li2VCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.6476532,
"spacegroup": 13
},
{
"id": "jvasp-113075",
"created_at": "2022-09-04T14:38:46.573564Z",
"updated_at": "2022-09-04T14:38:46.573600Z",
"structure_string": "Na1 Dy3 Ti2 Sb2 O14\n1.0\n6.312309 0.002006 3.551793\n2.051147 5.969761 3.551793\n0.003888 0.002776 7.196117\nNa Dy Ti Sb O\n1 3 2 2 14\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Dy\n0.500000 0.000000 -0.000000 Dy\n0.000000 0.500000 -0.000000 Dy\n0.500000 0.500001 0.499999 Ti\n0.500000 0.500000 -0.000001 Ti\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000001 0.500000 Sb\n0.421209 0.825836 0.420094 O\n0.823547 0.436678 0.826142 O\n0.436677 0.823548 0.826142 O\n0.825836 0.421209 0.420094 O\n0.831821 0.831821 0.424878 O\n0.428600 0.428600 0.819162 O\n0.174165 0.578792 0.579905 O\n0.176453 0.563323 0.173857 O\n0.563323 0.176454 0.173857 O\n0.867534 0.867534 0.870448 O\n0.168179 0.168180 0.575121 O\n0.571401 0.571401 0.180837 O\n0.578792 0.174165 0.579905 O\n0.132467 0.132467 0.129550 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Dy",
"Ti",
"Sb",
"O"
],
"chemical_system": "Dy-Na-O-Sb-Ti",
"density": 6.578845840564957,
"density_atomic": 0.08117569844705541,
"volume": 271.0170706365882,
"volume_molar": 7.418649762438168,
"formula_full": "Na1 Dy3 Ti2 Sb2 O14",
"formula_reduced": "NaDy3Ti2(SbO7)2",
"formula_anonymous": "AB2C2D3E14",
"energy_above_hull": 2.647657562121212,
"spacegroup": 12
},
{
"id": "jvasp-53982",
"created_at": "2022-09-04T14:35:45.493630Z",
"updated_at": "2022-09-04T14:35:45.493656Z",
"structure_string": "B4 N4\n1.0\n2.590151 -0.000000 0.000000\n-0.000000 4.296621 0.000000\n0.000000 0.000000 4.859099\nB N\n4 4\ndirect\n0.750000 0.091787 0.661427 B\n0.250000 0.591787 0.838573 B\n0.750000 0.408213 0.161427 B\n0.250000 0.908212 0.338573 B\n0.750000 0.393055 0.820108 N\n0.250000 0.606944 0.179892 N\n0.250000 0.893055 0.679892 N\n0.750000 0.106944 0.320108 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 3.0483353452649777,
"density_atomic": 0.1479388060876943,
"volume": 54.07641315732808,
"volume_molar": 4.070697147866822,
"formula_full": "B4 N4",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.6479529166666667,
"spacegroup": 62
},
{
"id": "jvasp-51882",
"created_at": "2022-09-04T14:37:04.415314Z",
"updated_at": "2022-09-04T14:37:04.415341Z",
"structure_string": "B4 N4\n1.0\n2.590151 -0.000000 0.000000\n-0.000000 4.296621 0.000000\n0.000000 0.000000 4.859099\nB N\n4 4\ndirect\n0.750000 0.091787 0.661427 B\n0.250000 0.591787 0.838573 B\n0.750000 0.408213 0.161427 B\n0.250000 0.908212 0.338573 B\n0.750000 0.393055 0.820108 N\n0.250000 0.606944 0.179892 N\n0.250000 0.893055 0.679892 N\n0.750000 0.106944 0.320108 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 3.0483353452649777,
"density_atomic": 0.1479388060876943,
"volume": 54.07641315732808,
"volume_molar": 4.070697147866822,
"formula_full": "B4 N4",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy_above_hull": 2.6479529166666667,
"spacegroup": 62
}
]
}