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=-energy_above_hull&page=587",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=585",
"results": [
{
"id": "jvasp-28660",
"created_at": "2022-09-04T14:37:16.521616Z",
"updated_at": "2022-09-04T14:37:16.521642Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.418600 0.000100 -0.000062\n-1.709213 2.960574 0.000035\n-0.000721 0.000062 39.580041\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333362 0.666671 0.705723 Te\n0.666650 0.333313 0.421535 Te\n0.666677 0.333317 0.516091 Te\n0.333334 0.666667 0.611129 Te\n0.333413 0.666745 0.094030 Mo\n0.333339 0.666653 0.468811 Mo\n0.666639 0.333281 0.281571 W\n0.666667 0.333321 0.658606 W\n0.333327 0.666642 0.323160 Se\n0.333302 0.666634 0.239738 Se\n0.666634 0.333372 0.056404 S\n0.666657 0.333375 0.131947 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.355588367914973,
"density_atomic": 0.02995528549966171,
"volume": 400.59708328052886,
"volume_molar": 20.10376686300656,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.4669424666666666,
"spacegroup": 156
},
{
"id": "jvasp-19632",
"created_at": "2022-09-04T14:37:44.790516Z",
"updated_at": "2022-09-04T14:37:44.790548Z",
"structure_string": "Cr6 Ga2\n1.0\n4.579576 0.000000 0.000000\n0.000000 4.579576 -0.000000\n-0.000000 0.000000 4.579576\nCr Ga\n6 2\ndirect\n0.250000 0.000000 0.500000 Cr\n0.750001 0.000000 0.500000 Cr\n0.000000 0.500000 0.250000 Cr\n0.000000 0.500000 0.750001 Cr\n0.500000 0.750001 0.000000 Cr\n0.500000 0.250000 0.000000 Cr\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"Ga"
],
"chemical_system": "Cr-Ga",
"density": 7.804706630598002,
"density_atomic": 0.08329408751127487,
"volume": 96.04523248924603,
"volume_molar": 7.22997386721456,
"formula_full": "Cr6 Ga2",
"formula_reduced": "Cr3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 3.46673363125,
"spacegroup": 223
},
{
"id": "jvasp-118131",
"created_at": "2022-09-04T14:38:50.575477Z",
"updated_at": "2022-09-04T14:38:50.575493Z",
"structure_string": "P1 W1 Cl1\n1.0\n2.658325 0.000000 -0.000000\n0.000000 2.658325 -0.000000\n-0.000000 -0.000000 8.352739\nP W Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.035640 P\n0.000000 0.000000 0.661472 W\n0.000000 0.000000 0.376269 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"P",
"W",
"Cl"
],
"chemical_system": "Cl-P-W",
"density": 7.040560096089873,
"density_atomic": 0.05082486016566349,
"volume": 59.02623224582435,
"volume_molar": 11.848809303893505,
"formula_full": "P1 W1 Cl1",
"formula_reduced": "PWCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.466379855833333,
"spacegroup": 99
},
{
"id": "jvasp-49191",
"created_at": "2022-09-04T14:37:18.575286Z",
"updated_at": "2022-09-04T14:37:18.575311Z",
"structure_string": "Na3 Rh1 N6 O12\n1.0\n6.426259 -0.009824 2.037804\n1.488718 6.251449 2.037804\n-0.012457 -0.009824 6.741609\nNa Rh N O\n3 1 6 12\ndirect\n0.267438 0.267439 0.267438 Na\n0.732561 0.732563 0.732561 Na\n0.500000 0.500001 0.499999 Na\n0.000000 0.000000 0.000000 Rh\n0.203550 0.203551 0.825661 N\n0.796450 0.174340 0.796449 N\n0.825661 0.203551 0.203549 N\n0.174338 0.796451 0.796449 N\n0.796450 0.796451 0.174338 N\n0.203550 0.825662 0.203549 N\n0.912506 0.286401 0.286400 O\n0.087494 0.713600 0.713599 O\n0.713600 0.713600 0.087493 O\n0.713599 0.087495 0.713599 O\n0.243324 0.243325 0.625908 O\n0.625908 0.243325 0.243323 O\n0.374092 0.756677 0.756675 O\n0.756676 0.374093 0.756675 O\n0.756676 0.756677 0.374091 O\n0.286400 0.912506 0.286400 O\n0.286400 0.286401 0.912505 O\n0.243324 0.625909 0.243323 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Rh",
"N",
"O"
],
"chemical_system": "N-Na-O-Rh",
"density": 2.7426105771851303,
"density_atomic": 0.08112395152981779,
"volume": 271.1899455725319,
"volume_molar": 7.423381931520572,
"formula_full": "Na3 Rh1 N6 O12",
"formula_reduced": "Na3Rh(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.4663191590909093,
"spacegroup": 166
},
{
"id": "jvasp-112310",
"created_at": "2022-09-04T14:38:26.346990Z",
"updated_at": "2022-09-04T14:38:26.347011Z",
"structure_string": "Mn2 Nb8 Se16\n1.0\n6.961045 -0.000000 0.000000\n-3.480522 6.028442 0.000000\n-0.000000 -0.000000 12.391524\nMn Nb Se\n2 8 16\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.492257 0.507742 0.750000 Nb\n0.492257 0.984515 0.750000 Nb\n0.507742 0.492257 0.250000 Nb\n0.015485 0.507742 0.750000 Nb\n0.507742 0.015485 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.000000 0.000000 0.250000 Nb\n0.984514 0.492257 0.250000 Nb\n0.833936 0.667874 0.614478 Se\n0.166063 0.833936 0.114479 Se\n0.332126 0.166063 0.885521 Se\n0.833936 0.667874 0.885521 Se\n0.833936 0.166063 0.885521 Se\n0.332126 0.166063 0.614478 Se\n0.833936 0.166063 0.614478 Se\n0.666666 0.333333 0.391003 Se\n0.166063 0.332126 0.385521 Se\n0.166063 0.833936 0.385521 Se\n0.333333 0.666666 0.608996 Se\n0.166063 0.332126 0.114479 Se\n0.666666 0.333333 0.108996 Se\n0.333333 0.666666 0.891003 Se\n0.667874 0.833936 0.385521 Se\n0.667874 0.833936 0.114479 Se\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"Se"
],
"chemical_system": "Mn-Nb-Se",
"density": 6.758658123450222,
"density_atomic": 0.04999989558817717,
"volume": 520.001085885225,
"volume_molar": 12.044306671360287,
"formula_full": "Mn2 Nb8 Se16",
"formula_reduced": "Mn(NbSe2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.466179367285588,
"spacegroup": 194
},
{
"id": "jvasp-55342",
"created_at": "2022-09-04T14:36:53.601602Z",
"updated_at": "2022-09-04T14:36:53.601625Z",
"structure_string": "Ba2 Mn1 B6 O12\n1.0\n6.120528 -0.029108 3.317884\n1.962292 5.797510 3.317884\n-0.040788 -0.029108 6.961864\nBa Mn B O\n2 1 6 12\ndirect\n0.212207 0.212207 0.212207 Ba\n0.787793 0.787793 0.787792 Ba\n0.000000 0.000000 0.000000 Mn\n0.757097 0.641003 0.365124 B\n0.634875 0.242902 0.358996 B\n0.641003 0.365125 0.757096 B\n0.358997 0.634875 0.242902 B\n0.242903 0.358997 0.634874 B\n0.365125 0.757097 0.641002 B\n0.426289 0.538837 0.802411 O\n0.461162 0.197588 0.573710 O\n0.197588 0.573710 0.461162 O\n0.678540 0.159099 0.914830 O\n0.159099 0.914831 0.678540 O\n0.321459 0.840900 0.085169 O\n0.085169 0.321459 0.840900 O\n0.840900 0.085169 0.321459 O\n0.802412 0.426289 0.538837 O\n0.573710 0.461162 0.197588 O\n0.538838 0.802411 0.426289 O\n0.914831 0.678540 0.159099 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"B",
"O"
],
"chemical_system": "B-Ba-Mn-O",
"density": 3.916899060120509,
"density_atomic": 0.08446581184635997,
"volume": 248.62130062987123,
"volume_molar": 7.129678420606481,
"formula_full": "Ba2 Mn1 B6 O12",
"formula_reduced": "Ba2Mn(BO2)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.465855556256157,
"spacegroup": 148
},
{
"id": "jvasp-28581",
"created_at": "2022-09-04T14:37:10.149831Z",
"updated_at": "2022-09-04T14:37:10.149842Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.410149 0.000000 0.000000\n-1.705075 2.953234 -0.000003\n0.000000 -0.000036 38.552667\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333358 0.666716 0.330661 Te\n0.333353 0.666705 0.705945 Te\n0.333355 0.666708 0.232848 Te\n0.333352 0.666703 0.608958 Te\n0.333323 0.666642 0.093970 Mo\n0.666683 0.333364 0.657524 Mo\n0.333318 0.666634 0.469634 W\n0.666686 0.333370 0.281773 W\n0.666646 0.333290 0.426769 Se\n0.666648 0.333292 0.512598 Se\n0.666640 0.333279 0.055156 S\n0.666642 0.333281 0.132914 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.525725803341621,
"density_atomic": 0.030906911185257416,
"volume": 388.262674586647,
"volume_molar": 19.484770651790523,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.4658158,
"spacegroup": 156
},
{
"id": "jvasp-44636",
"created_at": "2022-09-04T14:38:34.307182Z",
"updated_at": "2022-09-04T14:38:34.307210Z",
"structure_string": "Ti2 Mn6 O16\n1.0\n2.853628 -4.942630 -0.000000\n2.853628 4.942630 -0.000000\n-0.000000 0.000000 8.967880\nTi Mn O\n2 6 16\ndirect\n0.666667 0.333333 0.504722 Ti\n0.333333 0.666667 0.004722 Ti\n0.335894 0.167947 0.786684 Mn\n0.832054 0.664106 0.786684 Mn\n0.832054 0.167947 0.786684 Mn\n0.167947 0.832054 0.286684 Mn\n0.167947 0.335894 0.286684 Mn\n0.664106 0.832054 0.286684 Mn\n0.165259 0.330518 0.899441 O\n0.333333 0.666667 0.397228 O\n0.481102 0.962204 0.166442 O\n0.037796 0.518898 0.166442 O\n0.834741 0.165259 0.399441 O\n0.165259 0.834741 0.899441 O\n0.962204 0.481102 0.666442 O\n0.000000 0.000000 0.682508 O\n0.834741 0.669482 0.399441 O\n0.000000 0.000000 0.182508 O\n0.481102 0.518898 0.166442 O\n0.666667 0.333333 0.897228 O\n0.518898 0.481102 0.666442 O\n0.330518 0.165259 0.399441 O\n0.518898 0.037796 0.666442 O\n0.669482 0.834741 0.899441 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.472453326749668,
"density_atomic": 0.09487155068352313,
"volume": 252.97362409580825,
"volume_molar": 6.347678220301187,
"formula_full": "Ti2 Mn6 O16",
"formula_reduced": "TiMn3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.4656890047892723,
"spacegroup": 186
},
{
"id": "jvasp-106761",
"created_at": "2022-09-04T14:36:57.251625Z",
"updated_at": "2022-09-04T14:36:57.251644Z",
"structure_string": "Os1 Pt3\n1.0\n2.767205 0.002170 8.824576\n1.352972 2.413896 8.824576\n0.003700 0.002170 9.248273\nOs Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Os\n0.252905 0.252906 0.252906 Pt\n0.499998 0.500001 0.500001 Pt\n0.747092 0.747096 0.747096 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Os",
"Pt"
],
"chemical_system": "Os-Pt",
"density": 20.889890262752406,
"density_atomic": 0.06488963491955858,
"volume": 61.64312690244999,
"volume_molar": 9.280589677327416,
"formula_full": "Os1 Pt3",
"formula_reduced": "OsPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.4653048,
"spacegroup": 166
},
{
"id": "jvasp-12306",
"created_at": "2022-09-04T14:37:26.904657Z",
"updated_at": "2022-09-04T14:37:26.904684Z",
"structure_string": "U7 Te12\n1.0\n6.217214 -10.768531 0.000000\n6.217214 10.768530 0.000000\n0.000000 0.000000 4.200920\nU Te\n7 12\ndirect\n0.844887 0.567692 0.000000 U\n0.432307 0.277194 0.000000 U\n0.722805 0.155112 0.000000 U\n0.291004 0.839819 0.500000 U\n0.160181 0.451185 0.500000 U\n0.548815 0.708995 0.500000 U\n0.000000 0.000000 0.000000 U\n0.996987 0.785810 0.500000 Te\n0.214190 0.211176 0.500000 Te\n0.788824 0.003012 0.500000 Te\n0.614812 0.475775 0.500000 Te\n0.491472 0.863886 0.000000 Te\n0.744197 0.751888 0.000000 Te\n0.136113 0.627586 0.000000 Te\n0.860962 0.385187 0.500000 Te\n0.007691 0.255802 0.000000 Te\n0.248111 0.992309 0.000000 Te\n0.372413 0.508527 0.000000 Te\n0.524224 0.139037 0.500000 Te\n",
"nsites": 19,
"nelements": 2,
"elements": [
"U",
"Te"
],
"chemical_system": "Te-U",
"density": 9.438863909731598,
"density_atomic": 0.033777455881228054,
"volume": 562.5053605816215,
"volume_molar": 17.82887610356358,
"formula_full": "U7 Te12",
"formula_reduced": "U7Te12",
"formula_anonymous": "A7B12",
"energy_above_hull": 3.4652623789473687,
"spacegroup": 174
},
{
"id": "jvasp-113084",
"created_at": "2022-09-04T14:38:46.654073Z",
"updated_at": "2022-09-04T14:38:46.654099Z",
"structure_string": "Li3 Mn8 O16\n1.0\n5.731115 -0.000000 0.000000\n0.000000 5.731115 0.000000\n-0.000000 -0.000000 8.101419\nLi Mn O\n3 8 16\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.754373 Li\n-0.000000 0.500000 0.245627 Li\n-0.000000 0.746871 0.875637 Mn\n0.500000 0.250763 0.373019 Mn\n0.746871 0.000000 0.124363 Mn\n0.250763 0.500000 0.626981 Mn\n0.253128 0.000000 0.124363 Mn\n-0.000000 0.253128 0.875637 Mn\n0.500000 0.749236 0.373019 Mn\n0.749236 0.500000 0.626981 Mn\n0.500000 0.222368 0.138906 O\n0.777631 0.500000 0.861094 O\n0.274485 0.000000 0.362984 O\n0.222368 0.500000 0.861094 O\n0.725514 0.000000 0.362984 O\n-0.000000 0.725514 0.637016 O\n-0.000000 0.224497 0.112213 O\n0.274769 0.500000 0.387257 O\n0.224497 0.000000 0.887787 O\n0.725230 0.500000 0.387257 O\n0.775503 0.000000 0.887787 O\n0.500000 0.777631 0.138906 O\n-0.000000 0.775503 0.112213 O\n0.500000 0.274769 0.612743 O\n0.500000 0.725230 0.612743 O\n-0.000000 0.274485 0.637016 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.470081857476962,
"density_atomic": 0.10146690742685,
"volume": 266.0966090788267,
"volume_molar": 5.9350786504866235,
"formula_full": "Li3 Mn8 O16",
"formula_reduced": "Li3Mn8O16",
"formula_anonymous": "A3B8C16",
"energy_above_hull": 3.465056441890166,
"spacegroup": 115
},
{
"id": "jvasp-88665",
"created_at": "2022-09-04T14:36:20.645937Z",
"updated_at": "2022-09-04T14:36:20.645953Z",
"structure_string": "Tb2 Cu2 W4 O16\n1.0\n6.352945 0.012529 -3.057151\n-1.561166 6.469189 -3.009245\n-0.012651 -0.019802 7.361544\nTb Cu W O\n2 2 4 16\ndirect\n0.824266 0.716883 0.551981 Tb\n0.175735 0.283118 0.448018 Tb\n0.274167 0.694222 0.074428 Cu\n0.725833 0.305779 0.925571 Cu\n0.349944 0.889192 0.701987 W\n0.746085 0.703177 0.980308 W\n0.253916 0.296824 0.019691 W\n0.650056 0.110809 0.298012 W\n0.134088 0.982128 0.799841 O\n0.283811 0.980753 0.497312 O\n0.865913 0.017873 0.200158 O\n0.716189 0.019248 0.502687 O\n0.547667 0.452422 0.753265 O\n0.383325 0.183698 0.264473 O\n0.616675 0.816303 0.735526 O\n0.179679 0.628726 0.552694 O\n0.820321 0.371275 0.447305 O\n0.828566 0.667827 0.229503 O\n0.171435 0.332173 0.770496 O\n0.969819 0.693461 0.915305 O\n0.030182 0.306540 0.084694 O\n0.452334 0.547579 0.246734 O\n0.483737 0.828279 0.016312 O\n0.516263 0.171721 0.983687 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tb",
"Cu",
"W",
"O"
],
"chemical_system": "Cu-O-Tb-W",
"density": 7.898233666621333,
"density_atomic": 0.07947838765589299,
"volume": 301.9688837160312,
"volume_molar": 7.577079678658382,
"formula_full": "Tb2 Cu2 W4 O16",
"formula_reduced": "TbCu(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.4649222375,
"spacegroup": 2
}
]
}