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=1219",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=1217",
"results": [
{
"id": "jvasp-56178",
"created_at": "2022-09-04T14:37:00.797749Z",
"updated_at": "2022-09-04T14:37:00.797776Z",
"structure_string": "Te8 Ir4\n1.0\n4.048016 -0.000000 0.000000\n0.000000 5.463454 0.000000\n0.000000 0.000000 13.580964\nTe Ir\n8 4\ndirect\n0.250000 0.761994 0.950571 Te\n0.250000 0.738005 0.450571 Te\n0.250000 0.293800 0.807150 Te\n0.750001 0.261994 0.549429 Te\n0.750001 0.238005 0.049429 Te\n0.750001 0.706200 0.192850 Te\n0.250000 0.206200 0.307150 Te\n0.750001 0.793799 0.692850 Te\n0.750001 0.485536 0.366268 Ir\n0.750001 0.014464 0.866268 Ir\n0.250000 0.985535 0.133732 Ir\n0.250000 0.514463 0.633731 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.894217681767193,
"density_atomic": 0.03995224026597604,
"volume": 300.3586262024808,
"volume_molar": 15.073349378929699,
"formula_full": "Te8 Ir4",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.823855544444444,
"spacegroup": 62
},
{
"id": "jvasp-14392",
"created_at": "2022-09-04T14:36:50.109154Z",
"updated_at": "2022-09-04T14:36:50.109176Z",
"structure_string": "Yb2 Ta2 O8\n1.0\n0.000000 5.132130 -0.052275\n5.397206 0.000000 0.000000\n0.000000 -0.496300 -5.336813\nYb Ta O\n2 2 8\ndirect\n-0.000000 0.759886 0.250000 Yb\n-0.000000 0.240115 0.750000 Yb\n0.500000 0.708125 0.750000 Ta\n0.500000 0.291875 0.250000 Ta\n0.269519 0.555692 0.978982 O\n0.730481 0.555692 0.521018 O\n0.730481 0.444309 0.021019 O\n0.269519 0.444309 0.478982 O\n0.739379 0.068600 0.412887 O\n0.260621 0.068600 0.087114 O\n0.260621 0.931400 0.587114 O\n0.739379 0.931400 0.912886 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Ta",
"O"
],
"chemical_system": "O-Ta-Yb",
"density": 9.381676958050079,
"density_atomic": 0.08110010791630935,
"volume": 147.9652778314834,
"volume_molar": 7.425564422447505,
"formula_full": "Yb2 Ta2 O8",
"formula_reduced": "YbTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3810739833333336,
"spacegroup": 13
},
{
"id": "jvasp-50827",
"created_at": "2022-09-04T14:36:44.286939Z",
"updated_at": "2022-09-04T14:36:44.286958Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n0.000000 7.899272 0.061510\n8.213951 0.000000 0.000000\n0.000000 -1.608435 -8.081999\nBa Ca I\n2 2 8\ndirect\n0.500000 0.269261 0.250000 Ba\n0.500000 0.730739 0.750000 Ba\n0.000000 0.838438 0.250000 Ca\n0.000000 0.161562 0.750000 Ca\n0.754350 0.565845 0.100933 I\n0.750029 0.932828 0.488597 I\n0.754350 0.434155 0.600933 I\n0.750029 0.067172 0.988597 I\n0.249971 0.932828 0.011403 I\n0.245650 0.565845 0.399067 I\n0.249971 0.067172 0.511403 I\n0.245651 0.434155 0.899067 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.345099675712988,
"density_atomic": 0.02291906092749777,
"volume": 523.581661480845,
"volume_molar": 26.275687206602658,
"formula_full": "Ba2 Ca2 I8",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 13
},
{
"id": "jvasp-10096",
"created_at": "2022-09-04T14:37:00.904280Z",
"updated_at": "2022-09-04T14:37:00.904311Z",
"structure_string": "Rb2 Pr2 Te8\n1.0\n6.989514 0.000000 0.000000\n0.000000 6.989514 -0.000000\n0.000000 0.000000 9.100749\nRb Pr Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.500000 Pr\n0.356373 0.856373 0.288330 Te\n0.143626 0.356373 0.288330 Te\n0.856373 0.643626 0.288330 Te\n0.356373 0.143626 0.711670 Te\n0.643626 0.856373 0.711670 Te\n0.643626 0.143626 0.288330 Te\n0.856373 0.356373 0.711670 Te\n0.143626 0.643626 0.711670 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Pr",
"Te"
],
"chemical_system": "Pr-Rb-Te",
"density": 5.5035528920824,
"density_atomic": 0.02699045160178359,
"volume": 444.6016753275448,
"volume_molar": 22.312115591285785,
"formula_full": "Rb2 Pr2 Te8",
"formula_reduced": "RbPrTe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.646260152777778,
"spacegroup": 125
},
{
"id": "jvasp-11413",
"created_at": "2022-09-04T14:36:42.577782Z",
"updated_at": "2022-09-04T14:36:42.577811Z",
"structure_string": "P8 Rh4\n1.0\n0.000000 5.813192 0.001639\n5.856811 0.000000 0.000000\n0.000000 -2.253577 -5.458296\nP Rh\n8 4\ndirect\n0.840001 0.120487 0.133559 P\n0.159998 0.620487 0.366441 P\n0.159998 0.879512 0.866441 P\n0.840001 0.379512 0.633560 P\n0.665800 0.622940 0.813253 P\n0.334199 0.122940 0.686748 P\n0.334199 0.377059 0.186748 P\n0.665800 0.877059 0.313252 P\n0.728188 0.501385 0.210767 Rh\n0.271812 0.001385 0.289233 Rh\n0.271812 0.498615 0.789233 Rh\n0.728187 0.998615 0.710768 Rh\n",
"nsites": 12,
"nelements": 2,
"elements": [
"P",
"Rh"
],
"chemical_system": "P-Rh",
"density": 5.892825822049836,
"density_atomic": 0.06458011941620893,
"volume": 185.81569852266526,
"volume_molar": 9.325069099343452,
"formula_full": "P8 Rh4",
"formula_reduced": "P2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 2.399354666666667,
"spacegroup": 14
},
{
"id": "jvasp-28846",
"created_at": "2022-09-04T14:37:01.066775Z",
"updated_at": "2022-09-04T14:37:01.066800Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.387679 0.000001 0.000000\n-1.693839 2.933795 -0.000011\n-0.000003 -0.000148 38.313212\nTe Mo W Se\n2 2 2 6\ndirect\n0.666641 0.333282 0.420479 Te\n0.666648 0.333294 0.518816 Te\n0.333314 0.666628 0.469660 Mo\n0.666683 0.333364 0.281743 Mo\n0.333311 0.666620 0.093939 W\n0.666692 0.333382 0.657558 W\n0.333354 0.666708 0.324978 Se\n0.333368 0.666734 0.700771 Se\n0.666639 0.333278 0.050720 Se\n0.666643 0.333285 0.137357 Se\n0.333349 0.666698 0.238574 Se\n0.333357 0.666714 0.614155 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.619007458949606,
"density_atomic": 0.03151378685094058,
"volume": 380.7857194934934,
"volume_molar": 19.10954335156411,
"formula_full": "Te2 Mo2 W2 Se6",
"formula_reduced": "TeMoWSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.4457239611111112,
"spacegroup": 156
},
{
"id": "jvasp-42697",
"created_at": "2022-09-04T14:37:01.309359Z",
"updated_at": "2022-09-04T14:37:01.309372Z",
"structure_string": "Co2 P2 O8\n1.0\n5.008032 0.014478 -0.020146\n2.294744 7.309089 4.155757\n2.334975 -1.523227 4.160369\nCo P O\n2 2 8\ndirect\n0.196043 0.253254 0.301379 Co\n0.801379 0.753254 0.696043 Co\n0.183947 0.625476 0.067091 P\n0.567091 0.125476 0.683947 P\n0.071947 0.745494 0.291315 O\n0.293309 0.457113 0.216716 O\n0.267455 0.187910 0.945953 O\n0.484231 0.112717 0.429093 O\n0.445952 0.687910 0.767455 O\n0.791315 0.245494 0.571948 O\n0.929094 0.612717 0.984231 O\n0.716716 0.957113 0.793309 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.77177536058287,
"density_atomic": 0.06507417989825294,
"volume": 184.40493631671825,
"volume_molar": 9.254270694484278,
"formula_full": "Co2 P2 O8",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.669936733333333,
"spacegroup": 9
},
{
"id": "jvasp-30932",
"created_at": "2022-09-04T14:36:42.490268Z",
"updated_at": "2022-09-04T14:36:42.490286Z",
"structure_string": "Ti4 Zn8\n1.0\n2.539919 -4.399270 -0.000000\n2.539919 4.399270 0.000000\n0.000000 -0.000000 8.126123\nTi Zn\n4 8\ndirect\n0.333333 0.666667 0.931790 Ti\n0.666667 0.333333 0.431790 Ti\n0.666667 0.333333 0.068209 Ti\n0.333333 0.666667 0.568209 Ti\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.344506 0.172254 0.750000 Zn\n0.172254 0.827747 0.250000 Zn\n0.172254 0.344506 0.250000 Zn\n0.827747 0.655494 0.750000 Zn\n0.827747 0.172254 0.750000 Zn\n0.655494 0.827747 0.250000 Zn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.53556764334018,
"density_atomic": 0.0660795953353063,
"volume": 181.59917504198765,
"volume_molar": 9.113464950022738,
"formula_full": "Ti4 Zn8",
"formula_reduced": "TiZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.384978703703704,
"spacegroup": 194
},
{
"id": "jvasp-10994",
"created_at": "2022-09-04T14:37:00.364208Z",
"updated_at": "2022-09-04T14:37:00.364235Z",
"structure_string": "Ba2 Pd2 F8\n1.0\n5.601017 0.000000 -2.726712\n-1.327430 5.441445 -2.726712\n-0.046060 -0.058646 7.021349\nBa Pd F\n2 2 8\ndirect\n0.750000 0.750000 0.500001 Ba\n0.250000 0.250000 0.500000 Ba\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.967029 0.467028 0.256435 F\n0.710594 0.210593 0.743566 F\n0.032972 0.532972 0.743566 F\n0.210593 0.032972 0.743566 F\n0.289407 0.789407 0.256435 F\n0.467028 0.289407 0.256435 F\n0.789407 0.967029 0.256436 F\n0.532972 0.710594 0.743566 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"F"
],
"chemical_system": "Ba-F-Pd",
"density": 5.004099855014796,
"density_atomic": 0.05654970155435102,
"volume": 212.20271142309332,
"volume_molar": 10.64928831536273,
"formula_full": "Ba2 Pd2 F8",
"formula_reduced": "BaPdF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-53015",
"created_at": "2022-09-04T14:37:04.700731Z",
"updated_at": "2022-09-04T14:37:04.700750Z",
"structure_string": "Fe4 O8\n1.0\n4.862160 0.001749 2.805709\n1.622388 4.583479 -2.805740\n-4.863426 -0.000000 2.807899\nFe O\n4 8\ndirect\n0.500000 0.500001 0.000001 Fe\n0.000001 0.000000 0.500000 Fe\n0.000002 0.500001 0.000001 Fe\n-0.000000 0.500001 0.500001 Fe\n0.762757 0.737244 0.025778 O\n0.211465 0.736978 0.474222 O\n0.237244 0.262756 0.974222 O\n0.236979 0.711465 0.974222 O\n0.788535 0.263023 0.525779 O\n0.237244 0.262756 0.525778 O\n0.763024 0.288534 0.025779 O\n0.762758 0.737244 0.474224 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.662747880874297,
"density_atomic": 0.0958965484532334,
"volume": 125.13484784962967,
"volume_molar": 6.279830564430442,
"formula_full": "Fe4 O8",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.014240833333333,
"spacegroup": 227
},
{
"id": "jvasp-28969",
"created_at": "2022-09-04T14:37:04.768963Z",
"updated_at": "2022-09-04T14:37:04.768988Z",
"structure_string": "Mo1 W3 Se4 S4\n1.0\n3.258501 -0.000000 0.000000\n-1.629251 2.821938 -0.000692\n0.000000 -0.008846 33.718248\nMo W Se S\n1 3 4 4\ndirect\n0.666342 0.332684 0.276982 Mo\n0.332573 0.665148 0.093176 W\n0.333504 0.667009 0.467348 W\n0.667578 0.335155 0.665412 W\n0.334404 0.668809 0.716023 Se\n0.666678 0.333359 0.416690 Se\n0.666997 0.333993 0.518017 Se\n0.334087 0.668173 0.614736 Se\n0.333154 0.666308 0.322831 S\n0.665770 0.331539 0.047146 S\n0.666037 0.332073 0.139236 S\n0.332873 0.665747 0.231149 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.846102304683116,
"density_atomic": 0.03870356296126123,
"volume": 310.0489743544003,
"volume_molar": 15.559654717131906,
"formula_full": "Mo1 W3 Se4 S4",
"formula_reduced": "MoW3(SeS)4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 4.304333280555555,
"spacegroup": 156
},
{
"id": "jvasp-10677",
"created_at": "2022-09-04T14:37:00.496074Z",
"updated_at": "2022-09-04T14:37:00.496101Z",
"structure_string": "K4 U2 Te6\n1.0\n7.611638 0.000000 2.536267\n3.805819 6.945260 1.268134\n0.006666 0.000000 8.487902\nK U Te\n4 2 6\ndirect\n0.654260 0.691482 0.500000 K\n0.345741 0.308518 0.500000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.831809 0.336381 0.000000 U\n0.168191 0.663619 -0.000000 U\n0.206883 0.000000 0.787649 Te\n0.573558 0.365820 0.782485 Te\n0.939379 0.634180 0.782485 Te\n0.426443 0.634180 0.217514 Te\n0.060622 0.365820 0.217514 Te\n0.793117 0.000000 0.212350 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"U",
"Te"
],
"chemical_system": "K-Te-U",
"density": 5.175100539399803,
"density_atomic": 0.026750254570412652,
"volume": 448.59386172992544,
"volume_molar": 22.512461495079897,
"formula_full": "K4 U2 Te6",
"formula_reduced": "K2UTe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.097910883333333,
"spacegroup": 12
}
]
}