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=id&page=430",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=428",
"results": [
{
"id": "jvasp-10736",
"created_at": "2022-09-04T14:38:13.733130Z",
"updated_at": "2022-09-04T14:38:13.733147Z",
"structure_string": "Mg1 Sb4 O8\n1.0\n3.272545 0.159839 -0.072277\n-0.381436 7.197658 -0.386405\n-1.307704 -3.140031 8.155707\nMg Sb O\n1 4 8\ndirect\n0.718525 0.128569 0.986179 Mg\n0.942474 0.098856 0.311739 Sb\n0.576290 0.522138 0.716672 Sb\n0.321884 0.521456 0.182942 Sb\n0.020160 0.883166 0.602386 Sb\n0.435431 0.730532 0.419622 O\n0.855435 0.362938 0.241791 O\n0.022082 0.594393 0.605001 O\n0.476924 0.262401 0.511294 O\n0.287264 0.036397 0.127115 O\n0.209429 0.293112 0.960430 O\n0.607464 0.886177 0.769749 O\n0.798519 0.655975 0.134431 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.64871212510715,
"density_atomic": 0.06916902989117618,
"volume": 187.94538567987632,
"volume_molar": 8.70641205966695,
"formula_full": "Mg1 Sb4 O8",
"formula_reduced": "Mg(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.2318601115384618,
"spacegroup": 1
},
{
"id": "jvasp-107360",
"created_at": "2022-09-04T14:36:59.611261Z",
"updated_at": "2022-09-04T14:36:59.611285Z",
"structure_string": "Ce2 Ni1 Ru3\n1.0\n4.586288 0.000725 2.494858\n1.483274 4.339808 2.494858\n0.001014 0.000725 5.220953\nCe Ni Ru\n2 1 3\ndirect\n0.623805 0.623804 0.623806 Ce\n0.376194 0.376194 0.376195 Ce\n0.000000 0.000000 0.000000 Ni\n-0.000000 0.500000 0.000000 Ru\n0.500000 -0.000001 0.000000 Ru\n-0.000000 -0.000001 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Ru"
],
"chemical_system": "Ce-Ni-Ru",
"density": 10.26329694580632,
"density_atomic": 0.057751389090851805,
"volume": 103.89360488907164,
"volume_molar": 10.427698545096893,
"formula_full": "Ce2 Ni1 Ru3",
"formula_reduced": "Ce2NiRu3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.429307483333334,
"spacegroup": 166
},
{
"id": "jvasp-107361",
"created_at": "2022-09-04T14:37:01.188795Z",
"updated_at": "2022-09-04T14:37:01.188816Z",
"structure_string": "Be4 Cu1 Si1\n1.0\n3.741254 -0.000000 2.160014\n1.247085 3.527288 2.160014\n0.000000 -0.000000 4.320028\nBe Cu Si\n4 1 1\ndirect\n0.624904 0.624906 0.125284 Be\n0.624905 0.125284 0.624906 Be\n0.125283 0.624906 0.624905 Be\n0.624904 0.624906 0.624905 Be\n0.249999 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Si"
],
"chemical_system": "Be-Cu-Si",
"density": 3.719016200961168,
"density_atomic": 0.10524623620807598,
"volume": 57.009164566586136,
"volume_molar": 5.721953560499769,
"formula_full": "Be4 Cu1 Si1",
"formula_reduced": "Be4CuSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8778072416666665,
"spacegroup": 216
},
{
"id": "jvasp-107362",
"created_at": "2022-09-04T14:37:01.150735Z",
"updated_at": "2022-09-04T14:37:01.150761Z",
"structure_string": "Be1 Si1 Ni2\n1.0\n2.775244 -0.000000 0.000000\n0.000000 2.775244 0.000000\n0.000000 0.000000 5.226702\nBe Si Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Si\n0.499999 0.499999 0.245071 Ni\n0.499999 0.499999 0.754929 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Ni"
],
"chemical_system": "Be-Ni-Si",
"density": 6.372412401071921,
"density_atomic": 0.0993641923809188,
"volume": 40.25595039977532,
"volume_molar": 6.060674993375631,
"formula_full": "Be1 Si1 Ni2",
"formula_reduced": "BeSiNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.659367375,
"spacegroup": 123
},
{
"id": "jvasp-107363",
"created_at": "2022-09-04T14:37:00.728768Z",
"updated_at": "2022-09-04T14:37:00.728794Z",
"structure_string": "Bi1 Pb1\n1.0\n3.524600 0.000000 0.000000\n-1.762299 3.052393 0.000000\n0.000000 -0.000000 5.896590\nBi Pb\n1 1\ndirect\n0.333333 0.666666 0.500000 Bi\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Bi",
"Pb"
],
"chemical_system": "Bi-Pb",
"density": 10.89380264813728,
"density_atomic": 0.03152671917342325,
"volume": 63.4382534065258,
"volume_molar": 19.101704579132395,
"formula_full": "Bi1 Pb1",
"formula_reduced": "BiPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.40329256,
"spacegroup": 187
},
{
"id": "jvasp-107365",
"created_at": "2022-09-04T14:36:57.922404Z",
"updated_at": "2022-09-04T14:36:57.922423Z",
"structure_string": "Ba1 La1 Co1 Sb1 O6\n1.0\n4.968061 0.050745 -2.938277\n-1.591894 4.706387 -2.938277\n-0.036014 -0.050745 5.771811\nBa La Co Sb O\n1 1 1 1 6\ndirect\n0.750000 0.250000 0.499999 Ba\n0.250001 0.750001 0.500000 La\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000001 Sb\n0.817358 0.325841 0.102801 O\n0.223042 0.714558 0.897199 O\n0.285444 0.182642 0.508484 O\n0.674159 0.776960 0.491516 O\n0.255320 0.255319 -0.000000 O\n0.744681 0.744680 -0.000001 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Co",
"Sb",
"O"
],
"chemical_system": "Ba-Co-La-O-Sb",
"density": 6.854425535593527,
"density_atomic": 0.07465485288337609,
"volume": 133.94976500217268,
"volume_molar": 8.066643396120057,
"formula_full": "Ba1 La1 Co1 Sb1 O6",
"formula_reduced": "BaLaCoSbO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.283814897,
"spacegroup": 82
},
{
"id": "jvasp-107366",
"created_at": "2022-09-04T14:37:01.259066Z",
"updated_at": "2022-09-04T14:37:01.259086Z",
"structure_string": "Ba2 Fe4 As1 P3\n1.0\n6.781036 0.014114 0.000000\n-4.596183 4.985754 0.000000\n0.000000 -0.000000 5.457332\nBa Fe As P\n2 4 1 3\ndirect\n0.495619 0.504380 0.500000 Ba\n0.996902 0.003098 -0.000000 Ba\n0.505211 0.002267 0.246009 Fe\n0.997733 0.494787 0.753991 Fe\n0.997733 0.494787 0.246009 Fe\n0.505211 0.002267 0.753991 Fe\n0.151007 0.848992 0.500000 As\n0.661100 0.338899 -0.000000 P\n0.338144 0.661855 -0.000000 P\n0.837241 0.162758 0.500000 P\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"As",
"P"
],
"chemical_system": "As-Ba-Fe-P",
"density": 5.981405663799342,
"density_atomic": 0.05409538552823249,
"volume": 184.8586511095476,
"volume_molar": 11.132448176854256,
"formula_full": "Ba2 Fe4 As1 P3",
"formula_reduced": "Ba2Fe4AsP3",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 2.851875219,
"spacegroup": 38
},
{
"id": "jvasp-107367",
"created_at": "2022-09-04T14:36:58.382718Z",
"updated_at": "2022-09-04T14:36:58.382734Z",
"structure_string": "Al2 Zn1 S4\n1.0\n3.666488 -0.000000 0.000000\n0.000000 6.124577 0.040891\n-0.000000 0.006266 6.550943\nAl Zn S\n2 1 4\ndirect\n0.500000 0.519120 0.171351 Al\n0.500000 0.975393 0.850082 Al\n-0.000000 0.510905 0.651717 Zn\n-0.000000 0.892169 0.654280 S\n0.500000 0.876831 0.170530 S\n0.500000 0.363823 0.843508 S\n-0.000000 0.361763 0.325180 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Zn",
"S"
],
"chemical_system": "Al-S-Zn",
"density": 2.795301025967649,
"density_atomic": 0.047585060500945776,
"volume": 147.10499317030124,
"volume_molar": 12.655528219577038,
"formula_full": "Al2 Zn1 S4",
"formula_reduced": "Al2ZnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3702137142857145,
"spacegroup": 6
},
{
"id": "jvasp-107368",
"created_at": "2022-09-04T14:37:01.662515Z",
"updated_at": "2022-09-04T14:37:01.662537Z",
"structure_string": "Ag1 Sb1 Pb2 S4\n1.0\n5.250770 -0.044025 -4.932045\n-1.012590 5.152396 -4.932045\n0.036526 0.044025 7.203771\nAg Sb Pb S\n1 1 2 4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000001 Sb\n0.250001 0.750001 0.500001 Pb\n0.750000 0.250000 0.500001 Pb\n0.000001 0.500001 0.500001 S\n0.269514 0.269514 0.000000 S\n0.500000 -0.000000 0.500000 S\n0.730486 0.730486 0.000001 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"Pb",
"S"
],
"chemical_system": "Ag-Pb-S-Sb",
"density": 6.514146276455202,
"density_atomic": 0.04063675277866459,
"volume": 196.86612371744968,
"volume_molar": 14.819443848775705,
"formula_full": "Ag1 Sb1 Pb2 S4",
"formula_reduced": "AgSb(PbS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.322094375,
"spacegroup": 139
},
{
"id": "jvasp-107369",
"created_at": "2022-09-04T14:36:58.711044Z",
"updated_at": "2022-09-04T14:36:58.711074Z",
"structure_string": "Mg1 Al2 Sn2\n1.0\n4.376204 -0.000000 0.000000\n-2.188102 3.789904 0.000000\n-0.000000 -0.000000 7.466047\nMg Al Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.387785 Al\n0.333333 0.666666 0.612215 Al\n0.666666 0.333333 0.771039 Sn\n0.333333 0.666666 0.228961 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Sn"
],
"chemical_system": "Al-Mg-Sn",
"density": 4.233414469346471,
"density_atomic": 0.04037881009754431,
"volume": 123.82732398308295,
"volume_molar": 14.914111499204989,
"formula_full": "Mg1 Al2 Sn2",
"formula_reduced": "Mg(AlSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7136556100000002,
"spacegroup": 164
},
{
"id": "jvasp-10737",
"created_at": "2022-09-04T14:38:28.683550Z",
"updated_at": "2022-09-04T14:38:28.683574Z",
"structure_string": "Ca1 Sn4 O8\n1.0\n3.285210 0.000312 0.000254\n1.642322 7.656009 -0.005392\n1.642559 1.623282 7.867106\nCa Sn O\n1 4 8\ndirect\n0.643126 0.895779 0.818091 Ca\n0.369403 0.829393 0.432069 Sn\n0.892213 0.428304 0.787187 Sn\n0.149877 0.544118 0.156326 Sn\n0.665359 0.194448 0.474926 Sn\n0.125527 0.353950 0.395077 O\n0.534861 0.672102 0.258331 O\n0.515788 0.246877 0.721459 O\n0.856836 0.710663 0.575923 O\n0.837822 0.003014 0.321590 O\n0.165747 0.728924 0.939688 O\n0.194611 0.016408 0.594466 O\n0.753065 0.399908 0.094223 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.394760089877031,
"density_atomic": 0.06569223657340674,
"volume": 197.89248590239973,
"volume_molar": 9.167203118850516,
"formula_full": "Ca1 Sn4 O8",
"formula_reduced": "Ca(SnO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.803827928205128,
"spacegroup": 8
},
{
"id": "jvasp-107370",
"created_at": "2022-09-04T14:37:02.633533Z",
"updated_at": "2022-09-04T14:37:02.633551Z",
"structure_string": "Rb2 Cu2 Cl6\n1.0\n6.105640 0.106654 -3.226239\n-2.171147 5.707568 -3.226239\n-0.072173 -0.106654 6.905233\nRb Cu Cl\n2 2 6\ndirect\n0.750000 0.750000 -0.000000 Rb\n0.250000 0.250000 -0.000000 Rb\n0.000000 0.500001 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.275068 0.775069 0.050138 Cl\n0.775069 0.724931 0.500000 Cl\n0.224932 0.275069 0.500000 Cl\n0.724932 0.224932 0.949862 Cl\n0.750000 0.250000 0.500000 Cl\n0.250000 0.750000 0.500000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Rb",
"density": 3.5622597048326914,
"density_atomic": 0.042002181464885886,
"volume": 238.08287215653476,
"volume_molar": 14.33768568671737,
"formula_full": "Rb2 Cu2 Cl6",
"formula_reduced": "RbCuCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 140
}
]
}