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=-chemical_system&page=1008",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1006",
"results": [
{
"id": "jvasp-109057",
"created_at": "2022-09-04T14:38:15.808326Z",
"updated_at": "2022-09-04T14:38:15.808346Z",
"structure_string": "La1 Sm1 Mg2\n1.0\n4.752679 -0.000000 2.743960\n1.584227 4.480868 2.743960\n0.000000 -0.000000 5.487921\nLa Sm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Sm",
"Mg"
],
"chemical_system": "La-Mg-Sm",
"density": 4.800619404612273,
"density_atomic": 0.03422563443241757,
"volume": 116.87146392854915,
"volume_molar": 17.595410165124637,
"formula_full": "La1 Sm1 Mg2",
"formula_reduced": "LaSmMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3933704937499999,
"spacegroup": 225
},
{
"id": "jvasp-93153",
"created_at": "2022-09-04T14:36:14.923391Z",
"updated_at": "2022-09-04T14:36:14.923422Z",
"structure_string": "La1 Mg6 Si1\n1.0\n7.244700 -0.549989 0.000000\n-4.098654 5.999100 0.000000\n0.000000 0.000000 4.675152\nLa Mg Si\n1 6 1\ndirect\n0.206009 0.293991 0.250000 La\n0.168506 0.810904 0.250000 Mg\n0.689096 0.331494 0.250000 Mg\n0.643384 0.856617 0.250000 Mg\n0.307165 0.683410 0.750000 Mg\n0.816590 0.192835 0.750000 Mg\n0.795573 0.704427 0.750000 Mg\n0.373677 0.126323 0.750000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Mg",
"Si"
],
"chemical_system": "La-Mg-Si",
"density": 2.696331717302255,
"density_atomic": 0.041525832856686325,
"volume": 192.65116313523552,
"volume_molar": 14.50215527472639,
"formula_full": "La1 Mg6 Si1",
"formula_reduced": "LaMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-103644",
"created_at": "2022-09-04T14:36:52.494097Z",
"updated_at": "2022-09-04T14:36:52.494112Z",
"structure_string": "La4 Mg2 Si4\n1.0\n7.504546 0.000000 0.000000\n0.000000 7.504546 0.000000\n-0.000000 -0.000000 4.486967\nLa Mg Si\n4 2 4\ndirect\n0.680122 0.180122 0.500000 La\n0.319879 0.819879 0.500000 La\n0.180122 0.319879 0.500000 La\n0.819879 0.680122 0.500000 La\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.114214 0.614214 -0.000000 Si\n0.885787 0.385786 -0.000000 Si\n0.614214 0.885787 -0.000000 Si\n0.385786 0.114214 -0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Mg",
"Si"
],
"chemical_system": "La-Mg-Si",
"density": 4.708779429586777,
"density_atomic": 0.039572936348954875,
"volume": 252.69795275791054,
"volume_molar": 15.217826412719674,
"formula_full": "La4 Mg2 Si4",
"formula_reduced": "La2MgSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8199753200000004,
"spacegroup": 127
},
{
"id": "jvasp-97732",
"created_at": "2022-09-04T14:35:43.150286Z",
"updated_at": "2022-09-04T14:35:43.150316Z",
"structure_string": "La4 Mg4 Si8\n1.0\n4.297805 -0.000000 -0.498734\n-0.057875 4.297415 -0.498734\n-0.002158 -0.002188 18.748781\nLa Mg Si\n4 4 8\ndirect\n0.548130 0.798131 0.596261 La\n0.298131 0.048131 0.096261 La\n0.701869 0.951870 0.903739 La\n0.451870 0.201869 0.403739 La\n0.375078 0.625079 0.250156 Mg\n0.874923 0.124922 0.249844 Mg\n0.125077 0.875079 0.750156 Mg\n0.624922 0.374922 0.749844 Mg\n0.014241 0.264241 0.528483 Si\n0.235758 0.485759 0.971517 Si\n0.172580 0.422581 0.845162 Si\n0.077419 0.327419 0.654838 Si\n0.985759 0.735759 0.471517 Si\n0.764242 0.514242 0.028483 Si\n0.827419 0.577420 0.154839 Si\n0.922581 0.672581 0.345162 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Si"
],
"chemical_system": "La-Mg-Si",
"density": 4.208174638601138,
"density_atomic": 0.0462066737451908,
"volume": 346.2703264085371,
"volume_molar": 13.033054041520973,
"formula_full": "La4 Mg4 Si8",
"formula_reduced": "LaMgSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6781328999999998,
"spacegroup": 141
},
{
"id": "jvasp-116726",
"created_at": "2022-09-04T14:38:51.332674Z",
"updated_at": "2022-09-04T14:38:51.332700Z",
"structure_string": "La8 Mg4 Se16\n1.0\n4.190689 0.000000 0.000000\n0.000000 13.733954 0.000000\n-0.000000 0.000000 14.642689\nLa Mg Se\n8 4 16\ndirect\n0.250000 0.122967 0.073270 La\n0.750000 0.877033 0.926730 La\n0.750000 0.377033 0.573270 La\n0.250000 0.622967 0.426730 La\n0.250000 0.130995 0.706472 La\n0.750000 0.869005 0.293528 La\n0.750000 0.369005 0.206471 La\n0.250000 0.630994 0.793528 La\n0.750000 0.605925 0.035894 Mg\n0.250000 0.394075 0.964106 Mg\n0.250000 0.894074 0.535894 Mg\n0.750000 0.105925 0.464106 Mg\n0.250000 0.729544 0.986920 Se\n0.750000 0.270456 0.013080 Se\n0.250000 0.729538 0.252380 Se\n0.750000 0.270462 0.747620 Se\n0.750000 0.770462 0.752380 Se\n0.250000 0.229538 0.247620 Se\n0.250000 0.524957 0.614536 Se\n0.250000 0.001481 0.385374 Se\n0.750000 0.975043 0.114536 Se\n0.250000 0.024957 0.885464 Se\n0.750000 0.498518 0.885374 Se\n0.250000 0.501481 0.114626 Se\n0.250000 0.229544 0.513080 Se\n0.750000 0.998518 0.614626 Se\n0.750000 0.475043 0.385464 Se\n0.750000 0.770456 0.486920 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"La",
"Mg",
"Se"
],
"chemical_system": "La-Mg-Se",
"density": 4.870401236754362,
"density_atomic": 0.033224325460621235,
"volume": 842.756011199887,
"volume_molar": 18.12569759207806,
"formula_full": "La8 Mg4 Se16",
"formula_reduced": "La2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1242989309523812,
"spacegroup": 62
},
{
"id": "jvasp-93135",
"created_at": "2022-09-04T14:35:41.928571Z",
"updated_at": "2022-09-04T14:35:41.928606Z",
"structure_string": "La1 Mg6 Sb1\n1.0\n7.151213 -0.357274 0.000000\n-3.885015 6.014495 0.000000\n0.000000 0.000000 4.950679\nLa Mg Sb\n1 6 1\ndirect\n0.193303 0.306697 0.250000 La\n0.156988 0.794117 0.250000 Mg\n0.705882 0.343012 0.250000 Mg\n0.647366 0.852634 0.250000 Mg\n0.313714 0.678248 0.750000 Mg\n0.821751 0.186287 0.750000 Mg\n0.792915 0.707085 0.750000 Mg\n0.368083 0.131917 0.750000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Mg",
"Sb"
],
"chemical_system": "La-Mg-Sb",
"density": 3.275725456559809,
"density_atomic": 0.03882332031367656,
"volume": 206.06171588012745,
"volume_molar": 15.511658228465684,
"formula_full": "La1 Mg6 Sb1",
"formula_reduced": "LaMg6Sb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-102512",
"created_at": "2022-09-04T14:36:46.569645Z",
"updated_at": "2022-09-04T14:36:46.569675Z",
"structure_string": "La1 Pm1 Mg2\n1.0\n4.764462 -0.000000 2.750764\n1.588154 4.491978 2.750764\n-0.000000 -0.000000 5.501527\nLa Pm Mg\n1 1 2\ndirect\n0.499999 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Mg\n0.749999 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pm",
"Mg"
],
"chemical_system": "La-Mg-Pm",
"density": 4.689496499161273,
"density_atomic": 0.033972323779384854,
"volume": 117.74290231000586,
"volume_molar": 17.726608280044612,
"formula_full": "La1 Pm1 Mg2",
"formula_reduced": "LaPmMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4071510687499999,
"spacegroup": 225
},
{
"id": "jvasp-117340",
"created_at": "2022-09-04T14:38:26.436691Z",
"updated_at": "2022-09-04T14:38:26.436712Z",
"structure_string": "La6 Mg23 P1\n1.0\n8.898631 0.000000 5.137627\n2.966210 8.389710 5.137627\n-0.000000 -0.000000 10.275254\nLa Mg P\n6 23 1\ndirect\n0.797528 0.797528 0.202473 La\n0.202472 0.797528 0.202473 La\n0.797528 0.202472 0.202473 La\n0.202472 0.202472 0.797528 La\n0.797528 0.202472 0.797528 La\n0.202472 0.797528 0.797528 La\n0.378318 0.865046 0.378318 Mg\n0.865046 0.378318 0.378318 Mg\n0.378318 0.378318 0.378318 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.378318 0.378318 0.865046 Mg\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.621682 0.621682 0.621682 Mg\n0.621682 0.621682 0.134955 Mg\n0.621682 0.134954 0.621682 Mg\n0.500000 0.500000 0.500000 Mg\n0.171552 0.171552 0.171552 Mg\n0.485343 0.171552 0.171552 Mg\n0.171552 0.485343 0.171552 Mg\n0.171552 0.171552 0.485343 Mg\n0.828448 0.828448 0.828448 Mg\n0.514657 0.828448 0.828448 Mg\n0.828448 0.514657 0.828448 Mg\n0.828448 0.828448 0.514657 Mg\n0.134954 0.621682 0.621682 Mg\n0.000000 0.000000 0.000000 P\n",
"nsites": 30,
"nelements": 3,
"elements": [
"La",
"Mg",
"P"
],
"chemical_system": "La-Mg-P",
"density": 3.0812002903482374,
"density_atomic": 0.03910736376197992,
"volume": 767.1189544401334,
"volume_molar": 15.398994411008367,
"formula_full": "La6 Mg23 P1",
"formula_reduced": "La6Mg23P",
"formula_anonymous": "AB6C23",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106792",
"created_at": "2022-09-04T14:36:48.479136Z",
"updated_at": "2022-09-04T14:36:48.479155Z",
"structure_string": "La2 Mg1 Zr1 O6\n1.0\n4.939107 -0.000000 2.851595\n1.646369 4.656635 2.851595\n0.000000 0.000000 5.703189\nLa Mg Zr O\n2 1 1 6\ndirect\n0.750001 0.749999 0.749999 La\n0.250000 0.250000 0.250000 La\n0.500001 0.499999 0.499999 Mg\n0.000000 0.000000 0.000000 Zr\n0.253834 0.746165 0.746166 O\n0.746167 0.253834 0.253833 O\n0.746167 0.746165 0.253833 O\n0.253834 0.253834 0.746166 O\n0.746167 0.253834 0.746165 O\n0.253834 0.746165 0.253833 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Mg",
"Zr",
"O"
],
"chemical_system": "La-Mg-O-Zr",
"density": 6.194669916836793,
"density_atomic": 0.07623626361741401,
"volume": 131.17117137566254,
"volume_molar": 7.899312576783226,
"formula_full": "La2 Mg1 Zr1 O6",
"formula_reduced": "La2MgZrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.253199455,
"spacegroup": 225
},
{
"id": "jvasp-99367",
"created_at": "2022-09-04T14:36:20.129313Z",
"updated_at": "2022-09-04T14:36:20.129324Z",
"structure_string": "La4 Mg2 Ti2 O12\n1.0\n5.576464 0.000000 -0.006718\n0.000000 5.616638 0.000000\n-0.001021 0.000000 7.892708\nLa Mg Ti O\n4 2 2 12\ndirect\n0.993156 0.035550 0.249120 La\n0.006843 0.964451 0.750880 La\n0.493157 0.464450 0.749120 La\n0.506843 0.535550 0.250880 La\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 -0.000000 Ti\n0.720212 0.293277 0.458886 O\n0.779787 0.793277 0.041113 O\n0.920912 0.518425 0.743575 O\n0.206129 0.218640 0.542972 O\n0.293870 0.718640 0.957029 O\n0.793870 0.781361 0.457028 O\n0.706129 0.281360 0.042971 O\n0.420913 0.981575 0.243574 O\n0.079087 0.481575 0.256426 O\n0.579087 0.018425 0.756426 O\n0.220213 0.206723 0.958887 O\n0.279787 0.706723 0.541114 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Mg",
"Ti",
"O"
],
"chemical_system": "La-Mg-O-Ti",
"density": 5.991458129385323,
"density_atomic": 0.08090375716792995,
"volume": 247.20730779519286,
"volume_molar": 7.4435860222164845,
"formula_full": "La4 Mg2 Ti2 O12",
"formula_reduced": "La2MgTiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.186122838333333,
"spacegroup": 14
},
{
"id": "jvasp-116646",
"created_at": "2022-09-04T14:38:43.642718Z",
"updated_at": "2022-09-04T14:38:43.642747Z",
"structure_string": "Sr2 La2 Mg2 Ru2 O12\n1.0\n5.609583 0.000000 0.000000\n-0.000000 4.567475 3.230451\n-0.000000 -0.004936 9.673815\nSr La Mg Ru O\n2 2 2 2 12\ndirect\n0.222434 0.245558 0.250187 Sr\n0.777566 0.245558 0.750187 Sr\n0.284808 0.756288 0.750925 La\n0.715191 0.756288 0.250925 La\n0.753299 0.499945 0.000491 Mg\n0.246700 0.499945 0.500492 Mg\n0.750905 -0.000142 0.500174 Ru\n0.249095 -0.000142 0.000174 Ru\n0.240381 0.319357 0.755809 O\n0.759618 0.319358 0.255809 O\n0.522228 0.818561 0.965566 O\n0.477772 0.818562 0.465565 O\n0.968114 0.167369 0.038037 O\n0.042461 0.757855 0.962026 O\n0.466435 0.239133 0.032735 O\n0.533565 0.239132 0.532736 O\n0.734636 0.696076 0.744052 O\n0.957539 0.757856 0.462026 O\n0.031886 0.167369 0.538037 O\n0.265363 0.696076 0.244052 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mg",
"Ru",
"O"
],
"chemical_system": "La-Mg-O-Ru-Sr",
"density": 5.999235150325747,
"density_atomic": 0.08066195805317093,
"volume": 247.94835735101242,
"volume_molar": 7.465899545892888,
"formula_full": "Sr2 La2 Mg2 Ru2 O12",
"formula_reduced": "SrLaMgRuO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.058627186,
"spacegroup": 7
},
{
"id": "jvasp-91914",
"created_at": "2022-09-04T14:35:44.042517Z",
"updated_at": "2022-09-04T14:35:44.042543Z",
"structure_string": "La1 Mg3 O4\n1.0\n4.733095 0.000000 -0.000000\n0.000000 4.733095 -0.000000\n0.000000 0.000000 4.733095\nLa Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500001 0.500001 Mg\n0.500001 0.000000 0.500001 Mg\n0.500001 0.500001 0.000000 Mg\n0.500001 0.000000 0.000000 O\n0.500001 0.500001 0.500001 O\n0.000000 0.000000 0.500001 O\n0.000000 0.500001 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Mg",
"O"
],
"chemical_system": "La-Mg-O",
"density": 4.319526555415202,
"density_atomic": 0.07544914498823883,
"volume": 106.03168533251181,
"volume_molar": 7.981721676155169,
"formula_full": "La1 Mg3 O4",
"formula_reduced": "LaMg3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.98910576875,
"spacegroup": 221
}
]
}