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=created_at&page=877",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=875",
"results": [
{
"id": "jvasp-69293",
"created_at": "2022-09-04T14:36:09.724596Z",
"updated_at": "2022-09-04T14:36:09.724624Z",
"structure_string": "Ba1 Cr1 Cl2\n1.0\n4.194474 0.000000 0.000000\n0.000000 4.194566 0.000000\n0.000000 0.000000 6.324815\nBa Cr Cl\n1 1 2\ndirect\n0.499999 0.500001 0.794455 Ba\n0.000000 0.000000 0.409690 Cr\n0.000000 0.000000 0.990390 Cl\n0.499999 0.500001 0.305462 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Cl"
],
"chemical_system": "Ba-Cl-Cr",
"density": 3.883225324426747,
"density_atomic": 0.0359457562810247,
"volume": 111.27878263926105,
"volume_molar": 16.75341231637686,
"formula_full": "Ba1 Cr1 Cl2",
"formula_reduced": "BaCrCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.93411787625,
"spacegroup": 99
},
{
"id": "jvasp-75013",
"created_at": "2022-09-04T14:36:09.725962Z",
"updated_at": "2022-09-04T14:36:09.725986Z",
"structure_string": "Sr2 Ti1 Be1\n1.0\n-2.467498 2.467498 4.517713\n2.467498 -2.467498 4.517713\n2.467498 2.467498 -4.517713\nSr Ti Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.250000 0.750000 0.500000 Ti\n0.750000 0.250000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ti",
"Be"
],
"chemical_system": "Be-Sr-Ti",
"density": 3.5032237878540444,
"density_atomic": 0.0363553009100783,
"volume": 110.02522052818803,
"volume_molar": 16.564684129269747,
"formula_full": "Sr2 Ti1 Be1",
"formula_reduced": "Sr2TiBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.336221763333333,
"spacegroup": 139
},
{
"id": "jvasp-86459",
"created_at": "2022-09-04T14:36:09.726588Z",
"updated_at": "2022-09-04T14:36:09.726605Z",
"structure_string": "Sr2 Ru2 O6\n1.0\n4.802289 -0.000000 -2.769522\n-1.597207 4.528897 -2.769522\n0.031717 0.044818 5.603288\nSr Ru O\n2 2 6\ndirect\n0.250000 0.750001 0.500001 Sr\n0.750000 0.250000 0.500001 Sr\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000001 Ru\n0.797558 0.297559 0.000001 O\n0.702441 0.797559 0.000001 O\n0.297558 0.202442 0.000000 O\n0.202441 0.702442 0.000001 O\n0.250000 0.250000 0.500001 O\n0.750000 0.750001 0.500001 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Ru",
"O"
],
"chemical_system": "O-Ru-Sr",
"density": 6.387695161373353,
"density_atomic": 0.08126218249801813,
"volume": 123.0584718819715,
"volume_molar": 7.410754393837345,
"formula_full": "Sr2 Ru2 O6",
"formula_reduced": "SrRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.971351462,
"spacegroup": 140
},
{
"id": "jvasp-61054",
"created_at": "2022-09-04T14:36:09.726652Z",
"updated_at": "2022-09-04T14:36:09.726678Z",
"structure_string": "Mn3 As3 Rh3\n1.0\n3.258636 -5.644219 0.000000\n3.258636 5.644219 0.000000\n0.000000 0.000000 3.637212\nMn As Rh\n3 3 3\ndirect\n0.598101 1.000000 0.500000 Mn\n1.000000 0.598101 0.500000 Mn\n0.401901 0.401901 0.500000 Mn\n0.000004 0.000004 0.500000 As\n0.333335 0.666666 0.000000 As\n0.666666 0.333335 0.000000 As\n0.264560 -0.000004 0.000000 Rh\n-0.000004 0.264560 0.000000 Rh\n0.735443 0.735443 0.000000 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mn",
"As",
"Rh"
],
"chemical_system": "As-Mn-Rh",
"density": 8.666624535106816,
"density_atomic": 0.06726733018706789,
"volume": 133.79451770973134,
"volume_molar": 8.952549095159055,
"formula_full": "Mn3 As3 Rh3",
"formula_reduced": "MnAsRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.716253997126437,
"spacegroup": 189
},
{
"id": "jvasp-62683",
"created_at": "2022-09-04T14:36:09.731073Z",
"updated_at": "2022-09-04T14:36:09.731098Z",
"structure_string": "Tl6 B6 S12\n1.0\n6.538438 -4.983515 0.010038\n6.538438 4.983515 0.010038\n2.728175 -0.000000 7.755241\nTl B S\n6 6 12\ndirect\n0.329693 0.722890 0.722890 Tl\n0.722890 0.722890 0.329693 Tl\n0.670308 0.277111 0.277111 Tl\n0.277111 0.277111 0.670307 Tl\n0.277111 0.670308 0.277111 Tl\n0.722890 0.329693 0.722890 Tl\n0.897416 0.897416 0.589552 B\n0.589552 0.897416 0.897416 B\n0.897416 0.589552 0.897416 B\n0.102584 0.410448 0.102584 B\n0.102585 0.102585 0.410448 B\n0.410448 0.102584 0.102584 B\n0.342453 0.970185 0.970184 S\n0.346395 0.026403 0.346395 S\n0.346395 0.346395 0.026403 S\n0.026403 0.346395 0.346395 S\n0.653606 0.653606 0.973597 S\n0.653606 0.973597 0.653606 S\n0.973597 0.653606 0.653606 S\n0.657548 0.029816 0.029816 S\n0.029816 0.657548 0.029816 S\n0.970185 0.342453 0.970184 S\n0.970184 0.970184 0.342453 S\n0.029816 0.029816 0.657547 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tl",
"B",
"S"
],
"chemical_system": "B-S-Tl",
"density": 5.509454565494027,
"density_atomic": 0.047512817059877026,
"volume": 505.12685808030506,
"volume_molar": 12.67477100423392,
"formula_full": "Tl6 B6 S12",
"formula_reduced": "TlBS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7715187958333338,
"spacegroup": 166
},
{
"id": "jvasp-99086",
"created_at": "2022-09-04T14:36:09.737499Z",
"updated_at": "2022-09-04T14:36:09.737517Z",
"structure_string": "Ba8 Na2 Ru6 O24\n1.0\n5.832126 -0.000000 0.000000\n-2.916062 5.050769 -0.000000\n0.000000 -0.000000 19.224905\nBa Na Ru O\n8 2 6 24\ndirect\n0.000000 0.000000 0.116816 Ba\n0.000000 0.000000 0.616816 Ba\n0.333334 0.666667 0.372583 Ba\n0.666668 0.333333 0.872583 Ba\n0.666668 0.333333 0.496825 Ba\n0.333334 0.666667 0.996825 Ba\n0.333334 0.666667 0.745785 Ba\n0.666668 0.333333 0.245785 Ba\n0.666668 0.333333 0.059444 Na\n0.333334 0.666667 0.559445 Na\n0.333334 0.666667 0.183671 Ru\n0.666668 0.333333 0.683672 Ru\n0.000000 0.000000 0.434756 Ru\n0.000000 0.000000 0.799869 Ru\n0.000000 0.000000 0.299868 Ru\n0.000000 0.000000 0.934757 Ru\n0.155926 0.311852 0.488358 O\n0.513249 0.026498 0.628268 O\n0.486752 0.973502 0.128268 O\n0.026499 0.513249 0.128268 O\n0.513249 0.486751 0.628268 O\n0.844075 0.688148 0.988358 O\n0.155927 0.844074 0.488358 O\n0.688149 0.844074 0.488358 O\n0.311852 0.155926 0.988358 O\n0.844075 0.155926 0.988358 O\n0.691367 0.845683 0.864677 O\n0.668409 0.834204 0.244775 O\n0.845684 0.154317 0.364677 O\n0.154317 0.845683 0.864677 O\n0.154317 0.308634 0.864677 O\n0.308634 0.154317 0.364677 O\n0.834205 0.668408 0.744775 O\n0.165797 0.834204 0.244775 O\n0.973503 0.486751 0.628268 O\n0.331592 0.165796 0.744775 O\n0.834204 0.165796 0.744775 O\n0.165797 0.331592 0.244775 O\n0.845684 0.691366 0.364677 O\n0.486752 0.513249 0.128268 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Ru",
"O"
],
"chemical_system": "Ba-Na-O-Ru",
"density": 6.260349819647508,
"density_atomic": 0.07063360698573597,
"volume": 566.3026667755727,
"volume_molar": 8.525885930214685,
"formula_full": "Ba8 Na2 Ru6 O24",
"formula_reduced": "Ba4Na(RuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.470446819,
"spacegroup": 186
},
{
"id": "jvasp-64631",
"created_at": "2022-09-04T14:36:09.741195Z",
"updated_at": "2022-09-04T14:36:09.741222Z",
"structure_string": "Ba1 Sr2 Ga1\n1.0\n-0.000000 4.260862 4.260862\n4.260862 0.000000 4.260862\n4.260862 4.260862 -0.000000\nBa Sr Ga\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Ga"
],
"chemical_system": "Ba-Ga-Sr",
"density": 4.103171163297342,
"density_atomic": 0.02585458611660127,
"volume": 154.7114303806857,
"volume_molar": 23.292350273335742,
"formula_full": "Ba1 Sr2 Ga1",
"formula_reduced": "BaSr2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65161",
"created_at": "2022-09-04T14:36:09.742950Z",
"updated_at": "2022-09-04T14:36:09.742974Z",
"structure_string": "Be1 Cd4 Sn1\n1.0\n-0.000000 4.104004 4.104004\n4.104004 -0.000000 4.104004\n4.104004 4.104004 0.000000\nBe Cd Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123543 0.625485 0.625485 Cd\n0.625485 0.625485 0.625485 Cd\n0.625485 0.123543 0.625485 Cd\n0.625485 0.625485 0.123543 Cd\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Sn"
],
"chemical_system": "Be-Cd-Sn",
"density": 6.935010421404588,
"density_atomic": 0.043400819354741445,
"volume": 138.24623795597796,
"volume_molar": 13.875638408522565,
"formula_full": "Be1 Cd4 Sn1",
"formula_reduced": "BeCd4Sn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-92368",
"created_at": "2022-09-04T14:36:09.746412Z",
"updated_at": "2022-09-04T14:36:09.746434Z",
"structure_string": "Bi2 O3\n1.0\n4.335896 0.014163 -0.016719\n4.361564 7.607553 0.027177\n4.381334 5.114353 2.552122\nBi O\n2 3\ndirect\n0.944975 0.165144 -0.163576 Bi\n0.040253 0.434868 0.035142 Bi\n0.298877 0.071796 0.119018 O\n-0.007466 0.799986 0.935835 O\n0.686363 0.528204 0.752580 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 9.254318911701773,
"density_atomic": 0.059802269237698456,
"volume": 83.6088674181627,
"volume_molar": 10.070087367527071,
"formula_full": "Bi2 O3",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.66519982,
"spacegroup": 12
},
{
"id": "jvasp-1993",
"created_at": "2022-09-04T14:36:09.746894Z",
"updated_at": "2022-09-04T14:36:09.746919Z",
"structure_string": "K1 Br1\n1.0\n4.016793 0.000000 2.319096\n1.338931 3.787069 2.319096\n0.000000 0.000000 4.638194\nK Br\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.500000 0.500001 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Br"
],
"chemical_system": "Br-K",
"density": 2.8007405121877316,
"density_atomic": 0.02834643297223281,
"volume": 70.55561459740389,
"volume_molar": 21.24479212569385,
"formula_full": "K1 Br1",
"formula_reduced": "KBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-94865",
"created_at": "2022-09-04T14:36:09.747319Z",
"updated_at": "2022-09-04T14:36:09.747340Z",
"structure_string": "Mg1 Al2 Se4\n1.0\n-1.952752 -3.382265 -0.000000\n1.952752 -3.382265 -0.000000\n0.000000 -2.254844 12.916928\nMg Al Se\n1 2 4\ndirect\n0.832431 0.832431 0.502711 Mg\n0.069208 0.069208 0.792375 Al\n0.595650 0.595650 0.213055 Al\n0.956470 0.956470 0.130594 Se\n0.708389 0.708389 0.874834 Se\n0.536134 0.536134 0.391601 Se\n0.128723 0.128723 0.613830 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Se"
],
"chemical_system": "Al-Mg-Se",
"density": 3.8354866547433337,
"density_atomic": 0.04102551889581927,
"volume": 170.6255079375325,
"volume_molar": 14.679011800661685,
"formula_full": "Mg1 Al2 Se4",
"formula_reduced": "Mg(AlSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1687611595238097,
"spacegroup": 166
},
{
"id": "jvasp-92674",
"created_at": "2022-09-04T14:36:09.747385Z",
"updated_at": "2022-09-04T14:36:09.747405Z",
"structure_string": "U1 Cu2 As2\n1.0\n-2.039161 -3.532054 -0.000022\n-2.039268 3.532117 0.000000\n0.000009 0.000005 -6.583761\nU Cu As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.333381 0.666690 0.638721 Cu\n0.666618 0.333310 0.361278 Cu\n0.333328 0.666665 0.254525 As\n0.666672 0.333336 0.745475 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Cu",
"As"
],
"chemical_system": "As-Cu-U",
"density": 9.016290350821182,
"density_atomic": 0.05271956684946349,
"volume": 94.8414469010548,
"volume_molar": 11.422970862404354,
"formula_full": "U1 Cu2 As2",
"formula_reduced": "U(CuAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.00802008,
"spacegroup": 164
}
]
}