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=-updated_at&page=4423",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=4421",
"results": [
{
"id": "jvasp-66168",
"created_at": "2022-09-04T14:35:48.028941Z",
"updated_at": "2022-09-04T14:35:48.028956Z",
"structure_string": "Ba4 Y1 W1\n1.0\n-0.000000 4.830960 4.830960\n4.830960 0.000000 4.830960\n4.830960 4.830960 -0.000000\nBa Y W\n4 1 1\ndirect\n0.128212 0.623929 0.623929 Ba\n0.623929 0.623929 0.623929 Ba\n0.623929 0.128212 0.623929 Ba\n0.623929 0.623929 0.128212 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Y",
"W"
],
"chemical_system": "Ba-W-Y",
"density": 6.053674208103721,
"density_atomic": 0.026608532914709118,
"volume": 225.49157517373752,
"volume_molar": 22.63236676483948,
"formula_full": "Ba4 Y1 W1",
"formula_reduced": "Ba4YW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.042294888333333,
"spacegroup": 216
},
{
"id": "jvasp-48505",
"created_at": "2022-09-04T14:35:48.028431Z",
"updated_at": "2022-09-04T14:35:48.028458Z",
"structure_string": "Mn6 O2 F10\n1.0\n-4.703769 4.703769 3.213362\n0.104038 4.820842 -3.232938\n-4.820842 -0.104038 -3.232938\nMn O F\n6 2 10\ndirect\n0.844886 0.672705 0.672705 Mn\n0.652973 0.342045 0.342045 Mn\n0.318145 0.656562 0.656562 Mn\n0.175082 0.339030 0.339030 Mn\n0.496745 0.998469 0.998469 Mn\n0.997255 0.984435 0.984435 Mn\n0.048299 0.756202 0.756202 O\n0.363367 0.444908 0.444908 O\n0.677085 0.637782 0.035574 F\n0.336074 0.976460 0.360988 F\n0.700186 0.105099 0.105099 F\n0.968860 0.228787 0.228787 F\n0.677085 0.035574 0.637782 F\n0.309492 0.879475 0.879475 F\n0.336074 0.360988 0.976460 F\n0.989111 0.300054 0.695071 F\n0.620165 0.586354 0.586354 F\n0.989111 0.695071 0.300054 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.081313214548609,
"density_atomic": 0.08020294850750906,
"volume": 224.43065167753448,
"volume_molar": 7.508627640336903,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.635485181848659,
"spacegroup": 8
},
{
"id": "jvasp-71433",
"created_at": "2022-09-04T14:35:48.026876Z",
"updated_at": "2022-09-04T14:35:48.026901Z",
"structure_string": "Hf1 Be2 Mo1\n1.0\n3.352393 0.000000 -0.000000\n-0.000000 3.352393 -0.000000\n0.000000 0.000000 5.120062\nHf Be Mo\n1 2 1\ndirect\n0.000000 0.000000 0.488380 Hf\n0.000000 0.000000 0.979756 Be\n0.500000 0.500000 0.251651 Be\n0.500000 0.500000 0.780212 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Mo"
],
"chemical_system": "Be-Hf-Mo",
"density": 8.439605247013219,
"density_atomic": 0.06951442280261139,
"volume": 57.54201558082613,
"volume_molar": 8.663152936046203,
"formula_full": "Hf1 Be2 Mo1",
"formula_reduced": "HfBe2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.860345275,
"spacegroup": 99
},
{
"id": "jvasp-64865",
"created_at": "2022-09-04T14:35:48.022164Z",
"updated_at": "2022-09-04T14:35:48.022197Z",
"structure_string": "Ba4 Sc1 Nb1\n1.0\n0.000000 4.889080 4.889080\n4.889080 -0.000000 4.889080\n4.889080 4.889080 0.000000\nBa Sc Nb\n4 1 1\ndirect\n0.126991 0.624336 0.624336 Ba\n0.624336 0.624336 0.624336 Ba\n0.624336 0.126991 0.624336 Ba\n0.624336 0.624336 0.126991 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Nb"
],
"chemical_system": "Ba-Nb-Sc",
"density": 4.882048015149505,
"density_atomic": 0.025670824856732086,
"volume": 233.72836803981858,
"volume_molar": 23.459085532347878,
"formula_full": "Ba4 Sc1 Nb1",
"formula_reduced": "Ba4ScNb",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.507189755,
"spacegroup": 216
},
{
"id": "jvasp-75874",
"created_at": "2022-09-04T14:35:48.021294Z",
"updated_at": "2022-09-04T14:35:48.021318Z",
"structure_string": "La1 Fe1 As1\n1.0\n-0.000000 3.178828 3.178828\n3.178828 0.000000 3.178828\n3.178828 3.178828 0.000000\nLa Fe As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"La",
"Fe",
"As"
],
"chemical_system": "As-Fe-La",
"density": 6.970340299783928,
"density_atomic": 0.04669712786152331,
"volume": 64.24377980796305,
"volume_molar": 12.896169498599976,
"formula_full": "La1 Fe1 As1",
"formula_reduced": "LaFeAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1165140833333336,
"spacegroup": 216
},
{
"id": "jvasp-62838",
"created_at": "2022-09-04T14:35:48.014948Z",
"updated_at": "2022-09-04T14:35:48.014957Z",
"structure_string": "Dy4 V4 B16\n1.0\n3.467071 0.000000 0.000000\n0.000000 5.998979 0.000000\n0.000000 0.000000 11.609702\nDy V B\n4 4 16\ndirect\n0.000000 0.123748 0.848555 Dy\n0.000000 0.876252 0.151445 Dy\n0.000000 0.376252 0.348555 Dy\n0.000000 0.623748 0.651445 Dy\n0.000000 0.126718 0.582717 V\n0.000000 0.873282 0.417283 V\n0.000000 0.373282 0.082717 V\n0.000000 0.626718 0.917283 V\n0.500000 0.523467 0.192159 B\n0.500000 0.476534 0.807841 B\n0.500000 0.885307 0.547377 B\n0.500000 0.114694 0.452623 B\n0.500000 0.614694 0.047377 B\n0.500000 0.385307 0.952623 B\n0.500000 0.864197 0.967559 B\n0.500000 0.785897 0.814312 B\n0.500000 0.635804 0.467559 B\n0.500000 0.364197 0.532440 B\n0.500000 0.023467 0.307841 B\n0.500000 0.214103 0.185688 B\n0.500000 0.714103 0.314312 B\n0.500000 0.285897 0.685688 B\n0.500000 0.135803 0.032440 B\n0.500000 0.976534 0.692159 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Dy",
"V",
"B"
],
"chemical_system": "B-Dy-V",
"density": 7.060724654877403,
"density_atomic": 0.09939169393043638,
"volume": 241.4688697910456,
"volume_molar": 6.058998012665785,
"formula_full": "Dy4 V4 B16",
"formula_reduced": "DyVB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.256078505555557,
"spacegroup": 55
},
{
"id": "jvasp-75515",
"created_at": "2022-09-04T14:35:48.012125Z",
"updated_at": "2022-09-04T14:35:48.012146Z",
"structure_string": "Mg1 As1 P1\n1.0\n-0.000000 3.132803 3.132803\n3.132803 -0.000000 3.132803\n3.132803 3.132803 0.000000\nMg As P\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Mg\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"As",
"P"
],
"chemical_system": "As-Mg-P",
"density": 3.5158637414783755,
"density_atomic": 0.04878563936284597,
"volume": 61.49350585911829,
"volume_molar": 12.344084936983169,
"formula_full": "Mg1 As1 P1",
"formula_reduced": "MgAsP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3200087666666669,
"spacegroup": 216
},
{
"id": "jvasp-74317",
"created_at": "2022-09-04T14:35:48.010961Z",
"updated_at": "2022-09-04T14:35:48.010978Z",
"structure_string": "Be1 Bi2 Ir1\n1.0\n-2.404232 2.404232 3.606363\n2.404232 -2.404232 3.606363\n2.404232 2.404232 -3.606363\nBe Bi Ir\n1 2 1\ndirect\n0.749999 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 Bi\n0.250000 0.749999 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Ir"
],
"chemical_system": "Be-Bi-Ir",
"density": 12.330788313211144,
"density_atomic": 0.04797089428981257,
"volume": 83.38389473905363,
"volume_molar": 12.55373878089011,
"formula_full": "Be1 Bi2 Ir1",
"formula_reduced": "BeBi2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.21115895,
"spacegroup": 139
},
{
"id": "jvasp-85500",
"created_at": "2022-09-04T14:35:48.004969Z",
"updated_at": "2022-09-04T14:35:48.004991Z",
"structure_string": "Eu2 H6 O6\n1.0\n6.340896 -0.003766 0.000000\n-3.168423 5.494574 0.000000\n0.000000 0.000000 3.626999\nEu H O\n2 6 6\ndirect\n0.333364 0.666727 0.250000 Eu\n0.666636 0.333272 0.750000 Eu\n0.862486 0.726681 0.250000 H\n0.864315 0.137430 0.250000 H\n0.272965 0.135799 0.250000 H\n0.137514 0.273317 0.750000 H\n0.135686 0.862569 0.750000 H\n0.727035 0.864199 0.750000 H\n0.917377 0.607723 0.250000 O\n0.690427 0.082570 0.250000 O\n0.392113 0.309604 0.250000 O\n0.082623 0.392275 0.750000 O\n0.309573 0.917428 0.750000 O\n0.607887 0.690395 0.750000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Eu",
"H",
"O"
],
"chemical_system": "Eu-H-O",
"density": 5.336566093647104,
"density_atomic": 0.11082677783161902,
"volume": 126.32326116410633,
"volume_molar": 5.433831857089213,
"formula_full": "Eu2 H6 O6",
"formula_reduced": "Eu(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.3910629285714284,
"spacegroup": 176
},
{
"id": "jvasp-75759",
"created_at": "2022-09-04T14:35:48.004243Z",
"updated_at": "2022-09-04T14:35:48.004272Z",
"structure_string": "Hg2 As1 P1\n1.0\n3.900525 0.000000 -0.000000\n0.000000 3.900525 -0.000000\n0.000000 -0.000000 6.265576\nHg As P\n2 1 1\ndirect\n0.000000 0.500001 0.000000 Hg\n0.500001 0.000000 0.000000 Hg\n0.000000 0.000000 0.500000 As\n0.500001 0.500001 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"As",
"P"
],
"chemical_system": "As-Hg-P",
"density": 8.833126966097549,
"density_atomic": 0.0419616790288257,
"volume": 95.32507022066939,
"volume_molar": 14.351524770643882,
"formula_full": "Hg2 As1 P1",
"formula_reduced": "Hg2AsP",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6324316125,
"spacegroup": 123
},
{
"id": "jvasp-70874",
"created_at": "2022-09-04T14:35:48.001810Z",
"updated_at": "2022-09-04T14:35:48.001830Z",
"structure_string": "La1 Be2 Sn1\n1.0\n4.484081 -0.000000 0.000000\n-0.000000 4.484081 -0.000000\n0.000000 -0.000000 4.123286\nLa Be Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500001 La\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500001 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Be",
"Sn"
],
"chemical_system": "Be-La-Sn",
"density": 5.520783540656905,
"density_atomic": 0.04824692442503283,
"volume": 82.90683909220557,
"volume_molar": 12.481916374498315,
"formula_full": "La1 Be2 Sn1",
"formula_reduced": "LaBe2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.543949725,
"spacegroup": 123
},
{
"id": "jvasp-36782",
"created_at": "2022-09-04T14:35:47.999528Z",
"updated_at": "2022-09-04T14:35:47.999549Z",
"structure_string": "Mn1 Ag1 O2\n1.0\n1.197705 2.293597 1.353215\n0.005014 -0.013076 -3.132653\n-5.831732 2.332909 1.207453\nMn Ag O\n1 1 2\ndirect\n0.500001 0.000002 0.500000 Mn\n0.000000 0.000000 0.000000 Ag\n0.101062 0.202125 0.336220 O\n0.898938 0.797877 0.663780 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ag",
"O"
],
"chemical_system": "Ag-Mn-O",
"density": 6.401243061747292,
"density_atomic": 0.07915439103774205,
"volume": 50.53415164412973,
"volume_molar": 7.608094359703366,
"formula_full": "Mn1 Ag1 O2",
"formula_reduced": "MnAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8875303753448271,
"spacegroup": 12
}
]
}