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=-nsites&page=1242",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1240",
"results": [
{
"id": "jvasp-28938",
"created_at": "2022-09-04T14:37:53.137436Z",
"updated_at": "2022-09-04T14:37:53.137444Z",
"structure_string": "Te4 Mo2 W2 Se4\n1.0\n3.443968 -0.000015 0.000017\n-1.721998 2.982598 -0.000046\n0.000179 -0.000488 36.077727\nTe Mo W Se\n4 2 2 4\ndirect\n0.333337 0.666761 0.718924 Te\n0.666707 0.333392 0.414138 Te\n0.666644 0.333293 0.517200 Te\n0.333301 0.666679 0.615386 Te\n0.333329 0.666609 0.095144 Mo\n0.333331 0.666668 0.465661 Mo\n0.666653 0.333273 0.274907 W\n0.666670 0.333396 0.667209 W\n0.333365 0.666720 0.320436 Se\n0.666670 0.333297 0.049868 Se\n0.666671 0.333306 0.140473 Se\n0.333322 0.666600 0.229403 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.209515977373273,
"density_atomic": 0.03238093169011424,
"volume": 370.5884720933941,
"volume_molar": 18.59779952483126,
"formula_full": "Te4 Mo2 W2 Se4",
"formula_reduced": "Te2MoWSe2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.3787430277777784,
"spacegroup": 156
},
{
"id": "jvasp-35173",
"created_at": "2022-09-04T14:37:53.123645Z",
"updated_at": "2022-09-04T14:37:53.123666Z",
"structure_string": "Li2 Ge4 N6\n1.0\n-0.000000 -0.000000 -5.102931\n0.000000 -5.551041 -0.000000\n-4.801013 2.775520 0.000000\nLi Ge N\n2 4 6\ndirect\n0.495527 0.341465 0.000000 Li\n0.995527 0.658535 0.000000 Li\n0.491911 0.669189 0.674272 Ge\n0.491911 0.994917 0.325728 Ge\n0.991911 0.330811 0.325728 Ge\n0.991911 0.005083 0.674272 Ge\n0.122007 0.664958 0.630554 N\n0.122007 0.034403 0.369445 N\n0.622007 0.335042 0.369445 N\n0.622007 0.965597 0.630554 N\n0.097637 0.303678 0.000000 N\n0.597637 0.696322 0.000000 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Ge",
"N"
],
"chemical_system": "Ge-Li-N",
"density": 4.743437787722357,
"density_atomic": 0.0882377109288571,
"volume": 135.99627499035157,
"volume_molar": 6.82490592356304,
"formula_full": "Li2 Ge4 N6",
"formula_reduced": "LiGe2N3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.2141936083333333,
"spacegroup": 36
},
{
"id": "jvasp-29207",
"created_at": "2022-09-04T14:37:44.825943Z",
"updated_at": "2022-09-04T14:37:44.825960Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.352630 0.000000 0.000000\n-1.676315 2.903470 -0.000010\n0.000000 -0.000131 37.821452\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333360 0.666719 0.332124 Te\n0.333359 0.666718 0.231651 Te\n0.333310 0.666618 0.093888 Mo\n0.333331 0.666661 0.469677 Mo\n0.666696 0.333390 0.281803 Mo\n0.666684 0.333367 0.657490 W\n0.333359 0.666718 0.701592 Se\n0.666642 0.333282 0.050051 Se\n0.666647 0.333293 0.137890 Se\n0.333358 0.666715 0.613212 Se\n0.666631 0.333260 0.429539 S\n0.666631 0.333261 0.509830 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.99216408711475,
"density_atomic": 0.032594181408177846,
"volume": 368.16387102113913,
"volume_molar": 18.476122116964873,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.724532225,
"spacegroup": 156
},
{
"id": "jvasp-29015",
"created_at": "2022-09-04T14:38:01.152930Z",
"updated_at": "2022-09-04T14:38:01.152963Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.507852 -0.000000 -0.000000\n-1.753926 3.037736 -0.000819\n-0.000000 -0.009308 35.501922\nTe Mo W Se\n6 2 2 2\ndirect\n0.333821 0.667647 0.335094 Te\n0.331846 0.663695 0.716994 Te\n0.668399 0.336801 0.028811 Te\n0.668687 0.337376 0.132085 Te\n0.333536 0.667075 0.231329 Te\n0.331573 0.663147 0.613289 Te\n0.335180 0.670361 0.080402 Mo\n0.332786 0.665576 0.474111 Mo\n0.666967 0.333936 0.283218 W\n0.665033 0.330068 0.665184 W\n0.665980 0.331961 0.428587 Se\n0.666182 0.332364 0.519641 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.509843547719648,
"density_atomic": 0.03172036101908997,
"volume": 378.30590871201474,
"volume_molar": 18.985095271695524,
"formula_full": "Te6 Mo2 W2 Se2",
"formula_reduced": "Te3MoWSe",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.309727094444445,
"spacegroup": 156
},
{
"id": "jvasp-28935",
"created_at": "2022-09-04T14:37:53.103271Z",
"updated_at": "2022-09-04T14:37:53.103297Z",
"structure_string": "Mo1 W3 Se6 S2\n1.0\n3.293319 0.000010 -0.000045\n-1.646650 2.852095 -0.000003\n-0.000341 -0.000600 34.531296\nMo W Se S\n1 3 6 2\ndirect\n0.666679 0.333360 0.281341 Mo\n0.333220 0.666502 0.096342 W\n0.333371 0.666715 0.466411 W\n0.666724 0.333416 0.658826 W\n0.333424 0.666803 0.707858 Se\n0.666573 0.333209 0.047307 Se\n0.666684 0.333356 0.417333 Se\n0.666548 0.333148 0.145427 Se\n0.666720 0.333401 0.515495 Se\n0.333364 0.666701 0.609732 Se\n0.333384 0.666748 0.325796 S\n0.333308 0.666632 0.236881 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 6.068540784879995,
"density_atomic": 0.03699728197778978,
"volume": 324.3481509588689,
"volume_molar": 16.277251836000314,
"formula_full": "Mo1 W3 Se6 S2",
"formula_reduced": "MoW3(Se3S)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.208973008333333,
"spacegroup": 156
},
{
"id": "jvasp-40472",
"created_at": "2022-09-04T14:37:44.520149Z",
"updated_at": "2022-09-04T14:37:44.520162Z",
"structure_string": "Ba3 Ca1 I8\n1.0\n0.000000 8.146856 0.000000\n8.146856 -0.000000 0.000000\n4.073428 4.073428 -8.136930\nBa Ca I\n3 1 8\ndirect\n0.750000 0.250000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.636814 0.120679 0.242506 I\n0.120679 0.120679 0.242506 I\n0.363187 0.363187 0.757494 I\n0.879321 0.363187 0.757494 I\n0.120679 0.636814 0.242506 I\n0.636814 0.636814 0.242506 I\n0.879321 0.879321 0.757494 I\n0.363187 0.879321 0.757494 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.511550304543348,
"density_atomic": 0.022219822544042887,
"volume": 540.0583184773088,
"volume_molar": 27.102560103993856,
"formula_full": "Ba3 Ca1 I8",
"formula_reduced": "Ba3CaI8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-14195",
"created_at": "2022-09-04T14:37:53.015454Z",
"updated_at": "2022-09-04T14:37:53.015473Z",
"structure_string": "Mn4 Cu4 P4\n1.0\n3.444630 -0.000000 0.000000\n0.000000 5.878835 0.000000\n0.000000 0.000000 7.100303\nMn Cu P\n4 4 4\ndirect\n0.750000 0.949918 0.838033 Mn\n0.250000 0.550083 0.338033 Mn\n0.750000 0.449918 0.661967 Mn\n0.250000 0.050083 0.161967 Mn\n0.250000 0.124877 0.565194 Cu\n0.250000 0.624877 0.934805 Cu\n0.750000 0.375124 0.065194 Cu\n0.750000 0.875124 0.434806 Cu\n0.250000 0.723967 0.628174 P\n0.250000 0.223966 0.871826 P\n0.750000 0.276034 0.371826 P\n0.750000 0.776035 0.128174 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"P"
],
"chemical_system": "Cu-Mn-P",
"density": 6.9042571966830915,
"density_atomic": 0.08345848811237513,
"volume": 143.78405685761103,
"volume_molar": 7.2157319120031405,
"formula_full": "Mn4 Cu4 P4",
"formula_reduced": "MnCuP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.97704773045977,
"spacegroup": 62
},
{
"id": "jvasp-28995",
"created_at": "2022-09-04T14:37:42.957347Z",
"updated_at": "2022-09-04T14:37:42.957364Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.351036 0.000005 0.000004\n-1.675514 2.902043 0.000001\n0.000046 0.000031 37.873956\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.666646 0.333288 0.043984 Te\n0.666643 0.333283 0.144079 Te\n0.333316 0.666626 0.093884 Mo\n0.333317 0.666629 0.469669 W\n0.666686 0.333365 0.281820 W\n0.666688 0.333371 0.657513 W\n0.333358 0.666712 0.701557 Se\n0.666645 0.333287 0.425427 Se\n0.666640 0.333279 0.513895 Se\n0.333364 0.666725 0.613305 Se\n0.333351 0.666705 0.322084 S\n0.333355 0.666711 0.241531 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.782644713761526,
"density_atomic": 0.03258046399355344,
"volume": 368.3188797548859,
"volume_molar": 18.48390115374531,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.122961241666667,
"spacegroup": 156
},
{
"id": "jvasp-29542",
"created_at": "2022-09-04T14:38:01.546528Z",
"updated_at": "2022-09-04T14:38:01.546553Z",
"structure_string": "Pb4 I8\n1.0\n4.585933 0.000000 -0.000000\n-2.292966 3.971535 0.000000\n0.000000 -0.000000 28.176453\nPb I\n4 8\ndirect\n0.333333 0.666668 0.750176 Pb\n0.333333 0.666668 -0.000181 Pb\n0.666667 0.333333 0.250176 Pb\n0.666667 0.333333 0.499819 Pb\n0.333333 0.666668 0.182916 I\n0.000000 0.000000 0.817471 I\n0.000000 0.000000 0.067093 I\n0.666667 0.333333 0.932525 I\n0.666667 0.333333 0.682916 I\n0.000000 0.000000 0.317471 I\n0.333333 0.666668 0.432525 I\n0.000000 0.000000 0.567093 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.966862300849664,
"density_atomic": 0.023383462813327607,
"volume": 513.1831882983771,
"volume_molar": 25.7538449633201,
"formula_full": "Pb4 I8",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001099999999999,
"spacegroup": 186
},
{
"id": "jvasp-23701",
"created_at": "2022-09-04T14:37:37.131239Z",
"updated_at": "2022-09-04T14:37:37.131260Z",
"structure_string": "Sr2 In8 Ir2\n1.0\n4.361970 0.000000 0.000000\n0.000000 7.767184 -0.000000\n0.000000 0.000000 8.738051\nSr In Ir\n2 8 2\ndirect\n0.000000 0.394921 0.250000 Sr\n0.000000 0.605079 0.750000 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.310965 0.565492 In\n0.500000 0.062493 0.250000 In\n0.000000 0.000000 0.500000 In\n0.500000 0.937507 0.750000 In\n0.500000 0.310965 0.934507 In\n0.500000 0.689035 0.065492 In\n0.500000 0.689035 0.434508 In\n0.000000 0.807899 0.250000 Ir\n0.000000 0.192101 0.750000 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"In",
"Ir"
],
"chemical_system": "In-Ir-Sr",
"density": 8.291378495196248,
"density_atomic": 0.04053408772705853,
"volume": 296.04712164249355,
"volume_molar": 14.856978651032822,
"formula_full": "Sr2 In8 Ir2",
"formula_reduced": "SrIn4Ir",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3249095483333332,
"spacegroup": 51
},
{
"id": "jvasp-28601",
"created_at": "2022-09-04T14:37:43.242606Z",
"updated_at": "2022-09-04T14:37:43.242627Z",
"structure_string": "Mo4 Se6 S2\n1.0\n3.291637 0.000000 0.000000\n-1.645819 2.850633 -0.000158\n0.000000 -0.001926 34.317081\nMo Se S\n4 6 2\ndirect\n0.333325 0.666649 0.095124 Mo\n0.333338 0.666677 0.466917 Mo\n0.666644 0.333289 0.281086 Mo\n0.666690 0.333380 0.659790 Mo\n0.333392 0.666784 0.708868 Se\n0.666625 0.333248 0.046045 Se\n0.666639 0.333276 0.417799 Se\n0.666694 0.333386 0.144252 Se\n0.666706 0.333410 0.516048 Se\n0.333321 0.666643 0.610648 Se\n0.333355 0.666711 0.325839 S\n0.333267 0.666535 0.236330 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se",
"density": 4.752821923310541,
"density_atomic": 0.0372664191039304,
"volume": 322.00571690383816,
"volume_molar": 16.159697939330208,
"formula_full": "Mo4 Se6 S2",
"formula_reduced": "Mo2Se3S",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.2170819833333333,
"spacegroup": 156
},
{
"id": "jvasp-9684",
"created_at": "2022-09-04T14:38:01.258995Z",
"updated_at": "2022-09-04T14:38:01.259016Z",
"structure_string": "Th2 Ge2 O8\n1.0\n5.863783 0.012368 -1.782966\n-3.217921 4.901948 -1.782966\n-0.006659 -0.012368 6.128856\nTh Ge O\n2 2 8\ndirect\n0.125000 0.875000 0.250000 Th\n0.874999 0.125000 0.750000 Th\n0.375000 0.625000 0.750000 Ge\n0.625000 0.375000 0.249999 Ge\n0.803818 0.736216 0.432396 O\n0.371421 0.803819 0.567603 O\n0.736215 0.803819 0.932396 O\n0.803818 0.371422 0.067602 O\n0.628578 0.196182 0.432397 O\n0.196181 0.263784 0.567603 O\n0.196181 0.628578 0.932397 O\n0.263784 0.196182 0.067603 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Th",
"Ge",
"O"
],
"chemical_system": "Ge-O-Th",
"density": 6.9507720088807226,
"density_atomic": 0.06812252391592073,
"volume": 176.1531914878966,
"volume_molar": 8.840160953861226,
"formula_full": "Th2 Ge2 O8",
"formula_reduced": "ThGeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0603642583333333,
"spacegroup": 141
}
]
}