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=density&page=399",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=397",
"results": [
{
"id": "jvasp-79900",
"created_at": "2022-09-04T14:36:44.614729Z",
"updated_at": "2022-09-04T14:36:44.614747Z",
"structure_string": "Na3 In1\n1.0\n-2.450136 2.450136 4.863246\n2.450136 -2.450136 4.863246\n2.450136 2.450136 -4.863246\nNa In\n3 1\ndirect\n0.749999 0.250000 0.499999 Na\n0.250000 0.749999 0.499999 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"In"
],
"chemical_system": "In-Na",
"density": 2.6133525478361035,
"density_atomic": 0.03425258705614949,
"volume": 116.77950028834,
"volume_molar": 17.581564715471103,
"formula_full": "Na3 In1",
"formula_reduced": "Na3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0035449999999999,
"spacegroup": 139
},
{
"id": "jvasp-104600",
"created_at": "2022-09-04T14:36:55.716435Z",
"updated_at": "2022-09-04T14:36:55.716455Z",
"structure_string": "Na3 Cd1\n1.0\n4.730166 0.000000 2.730962\n1.576722 4.459643 2.730962\n-0.000000 -0.000000 5.461925\nNa Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.749999 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Cd"
],
"chemical_system": "Cd-Na",
"density": 2.6140688585295107,
"density_atomic": 0.03471664772280374,
"volume": 115.21849782093413,
"volume_molar": 17.346550300835467,
"formula_full": "Na3 Cd1",
"formula_reduced": "Na3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-45297",
"created_at": "2022-09-04T14:38:34.408949Z",
"updated_at": "2022-09-04T14:38:34.408975Z",
"structure_string": "K12 Mg2 O8\n1.0\n4.241311 -7.346166 -0.000000\n4.241311 7.346166 0.000000\n0.000000 0.000000 6.583061\nK Mg O\n12 2 8\ndirect\n0.071169 0.535585 0.679808 K\n0.142959 0.285917 0.000620 K\n0.857041 0.142959 0.500620 K\n0.142959 0.857041 0.000620 K\n0.714083 0.857041 0.000620 K\n0.857041 0.714083 0.500620 K\n0.285917 0.142959 0.500620 K\n0.928831 0.464415 0.179808 K\n0.535585 0.464415 0.179808 K\n0.464415 0.535585 0.679808 K\n0.535585 0.071169 0.179808 K\n0.464415 0.928831 0.679808 K\n0.333333 0.666667 0.283452 Mg\n0.666667 0.333333 0.783452 Mg\n0.402323 0.201162 0.883970 O\n0.333333 0.666667 0.977555 O\n0.666667 0.333333 0.477555 O\n0.798838 0.597677 0.883970 O\n0.597677 0.798838 0.383970 O\n0.201161 0.798838 0.383970 O\n0.798838 0.201161 0.883970 O\n0.201162 0.402323 0.383970 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Mg",
"O"
],
"chemical_system": "K-Mg-O",
"density": 2.6140758473046835,
"density_atomic": 0.05362952484093094,
"volume": 410.22179602100886,
"volume_molar": 11.229151811175107,
"formula_full": "K12 Mg2 O8",
"formula_reduced": "K6MgO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.2105482772727271,
"spacegroup": 186
},
{
"id": "jvasp-48497",
"created_at": "2022-09-04T14:36:06.419364Z",
"updated_at": "2022-09-04T14:36:06.419391Z",
"structure_string": "Na2 Mn2 O8\n1.0\n2.905770 4.368569 -0.000000\n-2.905770 4.368569 -0.000000\n0.000000 -0.000000 7.102149\nNa Mn O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.629498 0.629498 0.750000 Mn\n0.370502 0.370502 0.250000 Mn\n0.248934 0.707109 0.250000 O\n0.292891 0.751066 0.750000 O\n0.734396 0.734396 0.563618 O\n0.265604 0.265604 0.063618 O\n0.265604 0.265604 0.436382 O\n0.734396 0.734396 0.936382 O\n0.707109 0.248934 0.250000 O\n0.751066 0.292891 0.750000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 2.6140810775238617,
"density_atomic": 0.06655198841815799,
"volume": 180.31016480832795,
"volume_molar": 9.04877660778791,
"formula_full": "Na2 Mn2 O8",
"formula_reduced": "NaMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.171740040229885,
"spacegroup": 63
},
{
"id": "jvasp-64830",
"created_at": "2022-09-04T14:36:10.415299Z",
"updated_at": "2022-09-04T14:36:10.415324Z",
"structure_string": "K1 Ba1 Cr1\n1.0\n-0.000000 4.170731 4.170731\n4.170731 0.000000 4.170731\n4.170731 4.170731 -0.000000\nK Ba Cr\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Cr"
],
"chemical_system": "Ba-Cr-K",
"density": 2.614082867327448,
"density_atomic": 0.02067543801604034,
"volume": 145.09970708589347,
"volume_molar": 29.127028676867333,
"formula_full": "K1 Ba1 Cr1",
"formula_reduced": "KBaCr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.424767123333333,
"spacegroup": 216
},
{
"id": "jvasp-25609",
"created_at": "2022-09-04T14:37:49.181872Z",
"updated_at": "2022-09-04T14:37:49.181901Z",
"structure_string": "K12 P4 O16\n1.0\n5.947520 0.000000 0.000000\n-0.000000 8.084114 0.000000\n0.000000 0.000000 11.217176\nK P O\n12 4 16\ndirect\n0.804618 0.492505 0.644499 K\n0.195382 0.992504 0.355501 K\n0.304618 0.507495 0.855502 K\n0.138212 0.250000 0.070049 K\n0.638212 0.750000 0.429951 K\n0.861788 0.750000 0.929952 K\n0.304618 0.992504 0.855502 K\n0.361788 0.250000 0.570049 K\n0.695382 0.492505 0.144499 K\n0.195382 0.507495 0.355501 K\n0.804618 0.007495 0.644499 K\n0.695382 0.007495 0.144499 K\n0.218316 0.750000 0.615034 P\n0.281684 0.750000 0.115034 P\n0.781684 0.250000 0.384966 P\n0.718316 0.250000 0.884966 P\n0.947422 0.250000 0.493504 O\n0.367256 0.591546 0.610638 O\n0.867256 0.091547 0.889363 O\n0.552577 0.250000 0.993504 O\n0.924456 0.250000 0.268138 O\n0.632743 0.408453 0.389362 O\n0.447422 0.750000 0.006496 O\n0.367256 0.908453 0.610638 O\n0.132744 0.591546 0.110638 O\n0.867256 0.408453 0.889363 O\n0.132744 0.908453 0.110638 O\n0.632743 0.091547 0.389362 O\n0.052577 0.750000 0.506496 O\n0.075544 0.750000 0.731862 O\n0.575544 0.250000 0.768138 O\n0.424456 0.750000 0.231862 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"P",
"O"
],
"chemical_system": "K-O-P",
"density": 2.6141962445563136,
"density_atomic": 0.059333245391288675,
"volume": 539.3266420700164,
"volume_molar": 10.149690481761802,
"formula_full": "K12 P4 O16",
"formula_reduced": "K3PO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.1373241875,
"spacegroup": 62
},
{
"id": "jvasp-4098",
"created_at": "2022-09-04T14:37:03.729089Z",
"updated_at": "2022-09-04T14:37:03.729115Z",
"structure_string": "K4 Cd1 As2\n1.0\n5.531076 0.024987 8.179496\n2.524405 4.921464 8.179496\n0.040693 0.024987 9.873971\nK Cd As\n4 1 2\ndirect\n0.207959 0.207959 0.207959 K\n0.792041 0.792041 0.792040 K\n0.390767 0.390767 0.390766 K\n0.609234 0.609234 0.609233 K\n0.000000 0.000000 0.000000 Cd\n0.909939 0.909939 0.909938 As\n0.090062 0.090062 0.090062 As\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Cd",
"As"
],
"chemical_system": "As-Cd-K",
"density": 2.6143232681821473,
"density_atomic": 0.026324481898141,
"volume": 265.9121659862309,
"volume_molar": 22.87657847665095,
"formula_full": "K4 Cd1 As2",
"formula_reduced": "K4CdAs2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-97933",
"created_at": "2022-09-04T14:36:04.528356Z",
"updated_at": "2022-09-04T14:36:04.528384Z",
"structure_string": "Mg4 H24 Br8 N8\n1.0\n5.904854 0.000000 0.000000\n0.000000 11.815269 0.000000\n-0.000000 0.000000 7.944611\nMg H Br N\n4 24 8 8\ndirect\n0.497778 0.499913 0.250000 Mg\n0.997778 0.000087 0.250000 Mg\n0.502221 0.500087 0.750000 Mg\n0.002221 -0.000087 0.750000 Mg\n0.759747 0.816541 0.147682 H\n0.259747 0.683459 0.352318 H\n0.240252 0.183459 0.647682 H\n0.740252 0.316541 0.852318 H\n0.240252 0.183459 0.852318 H\n0.740252 0.316541 0.647682 H\n0.259747 0.683459 0.147682 H\n0.417116 0.101661 0.750000 H\n0.917115 0.398339 0.750000 H\n0.582884 0.898339 0.250000 H\n0.082884 0.601661 0.250000 H\n0.759747 0.816541 0.352318 H\n0.868646 0.384232 0.352422 H\n0.631353 0.884232 0.647578 H\n0.131354 0.615768 0.852422 H\n0.631353 0.884232 0.852422 H\n0.131354 0.615768 0.647578 H\n0.368646 0.115768 0.352422 H\n0.868646 0.384232 0.147578 H\n0.792160 0.794331 0.750000 H\n0.292160 0.705669 0.750000 H\n0.207839 0.205669 0.250000 H\n0.707839 0.294331 0.250000 H\n0.368646 0.115768 0.147578 H\n0.275358 0.385415 0.001853 Br\n0.775357 0.114585 0.498146 Br\n0.724642 0.614585 0.501853 Br\n0.224642 0.885415 0.998146 Br\n0.275358 0.385415 0.498146 Br\n0.224642 0.885415 0.501853 Br\n0.775357 0.114585 0.001853 Br\n0.724642 0.614585 0.998146 Br\n0.753300 0.369409 0.750000 N\n0.763293 0.376591 0.250000 N\n0.263293 0.123409 0.250000 N\n0.236706 0.623409 0.750000 N\n0.736706 0.876591 0.750000 N\n0.246699 0.630591 0.250000 N\n0.746699 0.869409 0.250000 N\n0.253300 0.130591 0.750000 N\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Mg",
"H",
"Br",
"N"
],
"chemical_system": "Br-H-Mg-N",
"density": 2.614488569909031,
"density_atomic": 0.07938295503777074,
"volume": 554.2751586793994,
"volume_molar": 7.586188693951543,
"formula_full": "Mg4 H24 Br8 N8",
"formula_reduced": "MgH6(BrN)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.650500341818182,
"spacegroup": 62
},
{
"id": "jvasp-97533",
"created_at": "2022-09-04T14:35:45.559860Z",
"updated_at": "2022-09-04T14:35:45.559880Z",
"structure_string": "H6 Se3 N3 O12\n1.0\n9.871247 0.212844 3.864074\n-1.033037 3.948414 -0.000000\n-9.871247 -0.212844 3.864074\nH Se N O\n6 3 3 12\ndirect\n0.035286 0.626025 0.227861 H\n0.227861 0.373975 0.035286 H\n0.544320 0.435342 -0.093915 H\n-0.093916 0.564657 0.544320 H\n0.226787 0.641271 -0.207137 H\n-0.207137 0.358728 0.226787 H\n0.213006 0.000000 0.213006 Se\n0.261383 0.260738 0.600580 Se\n0.600580 0.739261 0.261384 Se\n0.098476 0.735058 0.705424 N\n0.751441 0.000000 0.751441 N\n0.705424 0.264941 0.098476 N\n0.101895 0.526622 0.431347 O\n0.008994 0.736338 0.115565 O\n0.115565 0.263661 0.008994 O\n0.275717 0.191149 0.374587 O\n0.374587 0.808850 0.275717 O\n0.418313 0.540384 0.778016 O\n0.778016 0.459615 0.418313 O\n0.105582 0.058814 0.653013 O\n0.653013 -0.058814 0.105582 O\n0.734234 0.875262 0.645017 O\n0.645017 0.124737 0.734234 O\n0.431347 0.473377 0.101895 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"Se",
"N",
"O"
],
"chemical_system": "H-N-O-Se",
"density": 2.6145688579897963,
"density_atomic": 0.07923152028117338,
"volume": 302.9097499938136,
"volume_molar": 7.600688133496477,
"formula_full": "H6 Se3 N3 O12",
"formula_reduced": "H2SeNO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 3.0617900770833333,
"spacegroup": 5
},
{
"id": "jvasp-68887",
"created_at": "2022-09-04T14:35:52.176838Z",
"updated_at": "2022-09-04T14:35:52.176859Z",
"structure_string": "Sr2 Ca1 Be1\n1.0\n3.783557 0.000000 -0.000000\n-0.000000 3.783557 -0.000000\n0.000000 0.000000 9.950159\nSr Ca Be\n2 1 1\ndirect\n0.000000 0.000000 0.984091 Sr\n0.500000 0.500000 0.326341 Sr\n0.500000 0.500000 0.672308 Ca\n0.000000 0.000000 0.517260 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Be"
],
"chemical_system": "Be-Ca-Sr",
"density": 2.6152079230694243,
"density_atomic": 0.028082088811097018,
"volume": 142.43954667714553,
"volume_molar": 21.444774997009016,
"formula_full": "Sr2 Ca1 Be1",
"formula_reduced": "Sr2CaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1222422849999999,
"spacegroup": 99
},
{
"id": "jvasp-35167",
"created_at": "2022-09-04T14:38:16.347765Z",
"updated_at": "2022-09-04T14:38:16.347801Z",
"structure_string": "Li6 B2 P4 O16\n1.0\n5.165571 -0.009315 0.018572\n-0.022772 7.436162 0.001462\n-2.059691 -1.500513 7.317206\nLi B P O\n6 2 4 16\ndirect\n0.223922 0.865171 0.694319 Li\n0.776079 0.134829 0.305681 Li\n0.324564 0.514478 0.853247 Li\n0.675436 0.485523 0.146753 Li\n0.857290 0.472096 0.607167 Li\n0.142710 0.527905 0.392833 Li\n0.741456 0.040261 0.769775 B\n0.258545 0.959740 0.230225 B\n0.119622 0.252787 0.056009 P\n0.880378 0.747214 0.943991 P\n0.368395 0.214727 0.547117 P\n0.631605 0.785274 0.452883 P\n0.177561 0.063327 0.391747 O\n0.822440 0.936673 0.608253 O\n0.312232 0.407195 0.059080 O\n0.687769 0.592806 0.940920 O\n0.283630 0.081609 0.105923 O\n0.716371 0.918391 0.894077 O\n0.199356 0.371239 0.600519 O\n0.055829 0.810256 0.146224 O\n0.943103 0.307958 0.186600 O\n0.056897 0.692043 0.813400 O\n0.468422 0.111254 0.711990 O\n0.531578 0.888747 0.288009 O\n0.398416 0.725584 0.517788 O\n0.944171 0.189744 0.853776 O\n0.800645 0.628762 0.399481 O\n0.601584 0.274416 0.482212 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"B",
"P",
"O"
],
"chemical_system": "B-Li-O-P",
"density": 2.615383330789248,
"density_atomic": 0.09951536782689684,
"volume": 281.3635784244392,
"volume_molar": 6.051468121461685,
"formula_full": "Li6 B2 P4 O16",
"formula_reduced": "Li3B(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.629712970238096,
"spacegroup": 2
},
{
"id": "jvasp-48722",
"created_at": "2022-09-04T14:36:12.352679Z",
"updated_at": "2022-09-04T14:36:12.352702Z",
"structure_string": "Li10 Fe2 O6 F2\n1.0\n-1.820950 -4.695181 -4.351729\n-1.820950 4.695181 -4.351729\n3.675426 0.000000 -2.915152\nLi Fe O F\n10 2 6 2\ndirect\n0.963516 0.546434 0.254484 Li\n0.467956 0.037878 0.743668 Li\n0.212121 0.782043 0.506333 Li\n0.268610 0.268610 0.241708 Li\n0.981390 0.981390 0.008292 Li\n0.037878 0.467956 0.743668 Li\n0.286483 0.703566 0.995517 Li\n0.546434 0.963516 0.254484 Li\n0.703566 0.286483 0.995517 Li\n0.782043 0.212121 0.506333 Li\n0.494361 0.494361 0.493532 Fe\n0.755639 0.755639 0.756469 Fe\n0.228107 0.525600 0.374222 O\n0.525600 0.228107 0.374222 O\n0.770561 0.479438 0.625001 O\n0.479438 0.770561 0.625001 O\n0.724399 0.021893 0.875779 O\n0.021893 0.724399 0.875779 O\n0.979400 0.270600 0.125000 F\n0.270600 0.979400 0.125000 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.615586167225775,
"density_atomic": 0.09997948387620885,
"volume": 200.04104066753646,
"volume_molar": 6.023376523383946,
"formula_full": "Li10 Fe2 O6 F2",
"formula_reduced": "Li5FeO3F",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.4712696282500002,
"spacegroup": 12
}
]
}