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=1527",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1525",
"results": [
{
"id": "jvasp-66419",
"created_at": "2022-09-04T14:35:51.758505Z",
"updated_at": "2022-09-04T14:35:51.758532Z",
"structure_string": "Ba4 Li1 Ir1\n1.0\n0.000000 4.842248 4.842248\n4.842248 -0.000000 4.842248\n4.842248 4.842248 -0.000000\nBa Li Ir\n4 1 1\ndirect\n0.129557 0.623481 0.623481 Ba\n0.623481 0.623481 0.623481 Ba\n0.623481 0.129557 0.623481 Ba\n0.623481 0.623481 0.129557 Ba\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ir"
],
"chemical_system": "Ba-Ir-Li",
"density": 5.4733105871433265,
"density_atomic": 0.02642288103162949,
"volume": 227.07591926927668,
"volume_molar": 22.79138581743301,
"formula_full": "Ba4 Li1 Ir1",
"formula_reduced": "Ba4LiIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9387941633333332,
"spacegroup": 216
},
{
"id": "jvasp-100852",
"created_at": "2022-09-04T14:37:04.917433Z",
"updated_at": "2022-09-04T14:37:04.917457Z",
"structure_string": "Ba2 In1 Cu1 O4\n1.0\n4.191335 -0.000000 0.000000\n0.000000 4.191335 0.000000\n-0.000000 -0.000000 8.238499\nBa In Cu O\n2 1 1 4\ndirect\n0.499999 0.499999 0.767429 Ba\n0.499999 0.499999 0.232571 Ba\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 Cu\n-0.000000 0.499999 -0.000000 O\n0.499999 0.000000 -0.000000 O\n0.000000 0.000000 0.719580 O\n0.000000 0.000000 0.280420 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"In",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-In-O",
"density": 5.931983078491948,
"density_atomic": 0.055276068415671537,
"volume": 144.72809353662151,
"volume_molar": 10.894661890049763,
"formula_full": "Ba2 In1 Cu1 O4",
"formula_reduced": "Ba2InCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9388445449999998,
"spacegroup": 123
},
{
"id": "jvasp-56745",
"created_at": "2022-09-04T14:38:33.971503Z",
"updated_at": "2022-09-04T14:38:33.971523Z",
"structure_string": "Na8 P4 Se12\n1.0\n7.984350 0.000000 0.000000\n0.000000 8.816386 -1.056415\n0.000000 -0.018465 8.879434\nNa P Se\n8 4 12\ndirect\n0.250000 0.278081 0.221919 Na\n0.750000 0.221919 0.278081 Na\n0.152724 0.815200 0.184801 Na\n0.847276 0.184801 0.815199 Na\n0.250000 0.778082 0.721919 Na\n0.347276 0.315200 0.684801 Na\n0.652724 0.684801 0.315200 Na\n0.750000 0.721920 0.778081 Na\n0.552533 0.920402 0.079599 P\n0.947467 0.420402 0.579599 P\n0.447467 0.079599 0.920401 P\n0.052533 0.579599 0.420401 P\n0.462361 0.000292 0.311319 Se\n0.537639 -0.000292 0.688680 Se\n0.537639 0.311320 0.000292 Se\n0.172369 0.055494 0.944506 Se\n0.962361 0.811320 0.500292 Se\n0.962361 0.499708 0.188681 Se\n0.462361 0.688681 -0.000292 Se\n0.672369 0.444507 0.555494 Se\n0.327632 0.555494 0.444507 Se\n0.037639 0.188681 0.499708 Se\n0.037639 0.500293 0.811320 Se\n0.827632 0.944507 0.055494 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"P",
"Se"
],
"chemical_system": "Na-P-Se",
"density": 3.335806853941689,
"density_atomic": 0.038406437545740045,
"volume": 624.895239799767,
"volume_molar": 15.680029559700632,
"formula_full": "Na8 P4 Se12",
"formula_reduced": "Na2PSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9391456,
"spacegroup": 64
},
{
"id": "jvasp-118867",
"created_at": "2022-09-04T14:38:50.422201Z",
"updated_at": "2022-09-04T14:38:50.422226Z",
"structure_string": "As2 Se2 I2\n1.0\n6.631845 -1.977438 -0.063746\n6.631845 1.977438 -0.063746\n-5.623192 0.000000 6.875036\nAs Se I\n2 2 2\ndirect\n0.137321 0.137321 0.775159 As\n0.862679 0.862679 0.224840 As\n0.188072 0.188072 0.096009 Se\n0.811928 0.811928 0.903990 Se\n0.421789 0.421789 0.641996 I\n0.578210 0.578210 0.358004 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"As",
"Se",
"I"
],
"chemical_system": "As-I-Se",
"density": 5.212430778439932,
"density_atomic": 0.03353797985103323,
"volume": 178.90165199724015,
"volume_molar": 17.956182175398588,
"formula_full": "As2 Se2 I2",
"formula_reduced": "AsSeI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9393271305555556,
"spacegroup": 12
},
{
"id": "jvasp-114467",
"created_at": "2022-09-04T14:38:41.124750Z",
"updated_at": "2022-09-04T14:38:41.124783Z",
"structure_string": "B1 Br3\n1.0\n6.369184 0.000000 -0.000000\n-3.184592 5.515875 0.000000\n-0.000000 0.000000 4.018956\nB Br\n1 3\ndirect\n0.000000 0.000000 0.000000 B\n0.300307 0.000000 0.000000 Br\n1.000000 0.300307 0.000000 Br\n0.699693 0.699694 0.000000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 2.9463561238734917,
"density_atomic": 0.028330127474420944,
"volume": 141.192446225721,
"volume_molar": 21.257019635500566,
"formula_full": "B1 Br3",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9394137245833334,
"spacegroup": 189
},
{
"id": "jvasp-78740",
"created_at": "2022-09-04T14:37:09.217059Z",
"updated_at": "2022-09-04T14:37:09.217078Z",
"structure_string": "Li1 Al1 Ge1\n1.0\n3.612921 -0.000000 2.085921\n1.204307 3.406295 2.085921\n-0.000000 -0.000000 4.171842\nLi Al Ge\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.500001 0.499999 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Li",
"density": 3.4465539493201764,
"density_atomic": 0.058432259496432576,
"volume": 51.34150255105499,
"volume_molar": 10.306191839745075,
"formula_full": "Li1 Al1 Ge1",
"formula_reduced": "LiAlGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.93944625,
"spacegroup": 216
},
{
"id": "jvasp-92506",
"created_at": "2022-09-04T14:35:43.705978Z",
"updated_at": "2022-09-04T14:35:43.706010Z",
"structure_string": "K2 O4\n1.0\n3.874259 0.000000 0.000000\n0.000000 3.875646 0.000000\n0.000000 0.000000 6.684520\nK O\n2 4\ndirect\n0.500000 0.500001 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500089 0.898586 O\n0.500000 0.499912 0.101414 O\n0.000000 -0.000089 0.398586 O\n0.000000 0.000089 0.601414 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.352491159958247,
"density_atomic": 0.059778948396573404,
"volume": 100.36978168628886,
"volume_molar": 10.074015889421695,
"formula_full": "K2 O4",
"formula_reduced": "KO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9394600833333332,
"spacegroup": 139
},
{
"id": "jvasp-20218",
"created_at": "2022-09-04T14:37:39.665152Z",
"updated_at": "2022-09-04T14:37:39.665172Z",
"structure_string": "K1 O2\n1.0\n3.442768 0.000000 -1.775690\n-0.915855 3.318714 -1.775690\n0.048709 0.063972 4.319761\nK O\n1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.601450 0.601450 0.202901 O\n0.398549 0.398548 0.797098 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.3546980319177364,
"density_atomic": 0.0598350270281235,
"volume": 50.137856519893404,
"volume_molar": 10.064574312249395,
"formula_full": "K1 O2",
"formula_reduced": "KO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9394700833333332,
"spacegroup": 139
},
{
"id": "jvasp-20479",
"created_at": "2022-09-04T14:38:15.183557Z",
"updated_at": "2022-09-04T14:38:15.183580Z",
"structure_string": "K1 O2\n1.0\n3.442768 0.000000 -1.775690\n-0.915855 3.318714 -1.775690\n0.048709 0.063972 4.319761\nK O\n1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.601450 0.601450 0.202901 O\n0.398549 0.398548 0.797098 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.3546980319177364,
"density_atomic": 0.0598350270281235,
"volume": 50.137856519893404,
"volume_molar": 10.064574312249395,
"formula_full": "K1 O2",
"formula_reduced": "KO2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9394700833333332,
"spacegroup": 139
},
{
"id": "jvasp-7706",
"created_at": "2022-09-04T14:37:08.177952Z",
"updated_at": "2022-09-04T14:37:08.177979Z",
"structure_string": "Li1 Ga1 Si1\n1.0\n3.600761 0.000000 2.078900\n1.200253 3.394831 2.078900\n0.000000 0.000000 4.157801\nLi Ga Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ga\n0.499999 0.500000 0.500000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Si"
],
"chemical_system": "Ga-Li-Si",
"density": 3.422353774996236,
"density_atomic": 0.059026237368198536,
"volume": 50.82485575501556,
"volume_molar": 10.202481182113328,
"formula_full": "Li1 Ga1 Si1",
"formula_reduced": "LiGaSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.939566975,
"spacegroup": 216
},
{
"id": "jvasp-1885",
"created_at": "2022-09-04T14:36:10.158263Z",
"updated_at": "2022-09-04T14:36:10.158290Z",
"structure_string": "La1 Cu1 O2\n1.0\n3.647337 -0.005348 4.913331\n1.620503 3.267578 4.913331\n-0.008636 -0.005348 6.119135\nLa Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Cu\n0.893683 0.893683 0.893684 O\n0.106316 0.106316 0.106317 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Cu",
"O"
],
"chemical_system": "Cu-La-O",
"density": 5.32047494513911,
"density_atomic": 0.05466515187336498,
"volume": 73.17275929766433,
"volume_molar": 11.016416407203334,
"formula_full": "La1 Cu1 O2",
"formula_reduced": "LaCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9396056125,
"spacegroup": 166
},
{
"id": "jvasp-65214",
"created_at": "2022-09-04T14:36:16.938670Z",
"updated_at": "2022-09-04T14:36:16.938693Z",
"structure_string": "Be1 V1 In4\n1.0\n0.000000 4.073692 4.073692\n4.073692 -0.000000 4.073692\n4.073692 4.073692 -0.000000\nBe V In\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 V\n0.124998 0.625000 0.625000 In\n0.625000 0.625000 0.625000 In\n0.625000 0.124998 0.625000 In\n0.625000 0.625000 0.124998 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"V",
"In"
],
"chemical_system": "Be-In-V",
"density": 6.376916007082689,
"density_atomic": 0.04437687173873682,
"volume": 135.2055646311492,
"volume_molar": 13.570449029067632,
"formula_full": "Be1 V1 In4",
"formula_reduced": "BeVIn4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9396633633333332,
"spacegroup": 216
}
]
}