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=4156",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4154",
"results": [
{
"id": "jvasp-37108",
"created_at": "2022-09-04T14:38:06.308050Z",
"updated_at": "2022-09-04T14:38:06.308067Z",
"structure_string": "Ru2 C2\n1.0\n-1.391693 -2.410482 -0.000000\n-2.783384 0.000000 0.000000\n-1.391693 -0.803494 -6.279288\nRu C\n2 2\ndirect\n0.228806 0.228806 0.313580 Ru\n0.771192 0.771192 0.686420 Ru\n0.036943 0.036944 0.889169 C\n0.963055 0.963054 0.110831 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ru",
"C"
],
"chemical_system": "C-Ru",
"density": 8.914154555248958,
"density_atomic": 0.09494510293384438,
"volume": 42.129608335746504,
"volume_molar": 6.34276078903837,
"formula_full": "Ru2 C2",
"formula_reduced": "RuC",
"formula_anonymous": "AB",
"energy_above_hull": 3.67203025,
"spacegroup": 166
},
{
"id": "jvasp-116345",
"created_at": "2022-09-04T14:38:30.845481Z",
"updated_at": "2022-09-04T14:38:30.845515Z",
"structure_string": "Mo1 N1\n1.0\n3.347169 -0.000000 -0.000000\n-1.673585 2.898734 0.000000\n-0.000000 0.000000 2.830510\nMo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333335 0.666666 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 6.647840600184689,
"density_atomic": 0.07282479939496148,
"volume": 27.46317211466804,
"volume_molar": 8.269354409531891,
"formula_full": "Mo1 N1",
"formula_reduced": "MoN",
"formula_anonymous": "AB",
"energy_above_hull": 3.672039575,
"spacegroup": 187
},
{
"id": "jvasp-109066",
"created_at": "2022-09-04T14:37:49.238215Z",
"updated_at": "2022-09-04T14:37:49.238250Z",
"structure_string": "Os2 Rh6\n1.0\n5.467721 0.000000 0.000000\n-2.733861 4.735185 0.000000\n-0.000000 -0.000000 4.377293\nOs Rh\n2 6\ndirect\n0.333334 0.666667 0.749999 Os\n0.666667 0.333334 0.250000 Os\n0.831739 0.168261 0.749999 Rh\n0.336522 0.168261 0.749999 Rh\n0.831740 0.663478 0.749999 Rh\n0.168261 0.831740 0.250000 Rh\n0.663478 0.831740 0.250000 Rh\n0.168261 0.336523 0.250000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Os",
"Rh"
],
"chemical_system": "Os-Rh",
"density": 14.62123841822607,
"density_atomic": 0.07058965710392257,
"volume": 113.33105058468193,
"volume_molar": 8.531194238745437,
"formula_full": "Os2 Rh6",
"formula_reduced": "OsRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.672206,
"spacegroup": 194
},
{
"id": "jvasp-110435",
"created_at": "2022-09-04T14:38:37.772849Z",
"updated_at": "2022-09-04T14:38:37.772878Z",
"structure_string": "Ho1 Pa1 Ru2\n1.0\n4.180193 -0.000000 2.413436\n1.393398 3.941124 2.413436\n0.000000 -0.000000 4.826871\nHo Pa Ru\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Ho\n0.000000 0.000000 0.000000 Pa\n0.250000 0.250000 0.250001 Ru\n0.750000 0.749999 0.750002 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Pa",
"Ru"
],
"chemical_system": "Ho-Pa-Ru",
"density": 12.489506447495996,
"density_atomic": 0.05030114442936097,
"volume": 79.52105355410532,
"volume_molar": 11.972174447158014,
"formula_full": "Ho1 Pa1 Ru2",
"formula_reduced": "HoPaRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.672769916666667,
"spacegroup": 225
},
{
"id": "jvasp-51097",
"created_at": "2022-09-04T14:38:13.717767Z",
"updated_at": "2022-09-04T14:38:13.717798Z",
"structure_string": "Ta1 Fe1 Sb1\n1.0\n-0.000000 3.106785 3.106785\n3.106785 -0.000000 3.106785\n3.106785 3.106785 -0.000000\nTa Fe Sb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ta\n0.000000 0.000000 0.000000 Fe\n0.499999 0.499999 0.499999 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Ta",
"density": 9.927473079985004,
"density_atomic": 0.050021609336486764,
"volume": 59.97407999849657,
"volume_molar": 12.039078390081565,
"formula_full": "Ta1 Fe1 Sb1",
"formula_reduced": "TaFeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 3.672796933333333,
"spacegroup": 216
},
{
"id": "jvasp-52857",
"created_at": "2022-09-04T14:36:41.186233Z",
"updated_at": "2022-09-04T14:36:41.186253Z",
"structure_string": "Cr7 Se8\n1.0\n6.426016 3.730244 -0.113517\n0.024161 3.730244 6.016665\n6.450177 0.000000 5.903149\nCr Se\n7 8\ndirect\n0.500000 0.499999 0.500001 Cr\n0.500000 -0.000001 0.000000 Cr\n-0.000000 0.500000 0.500001 Cr\n0.769118 0.769118 0.730883 Cr\n0.230881 0.230881 0.269119 Cr\n0.765643 0.234356 0.242553 Cr\n0.234356 0.765643 0.757449 Cr\n0.951600 0.048399 0.715526 Se\n0.048399 0.951600 0.284476 Se\n0.463769 0.536230 0.203617 Se\n0.536230 0.463769 0.796384 Se\n0.470285 0.042352 0.698562 Se\n0.042352 0.470284 0.788802 Se\n0.957647 0.529714 0.211200 Se\n0.529714 0.957647 0.301440 Se\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cr",
"Se"
],
"chemical_system": "Cr-Se",
"density": 5.7314071421133885,
"density_atomic": 0.05199906640328086,
"volume": 288.46671753040516,
"volume_molar": 11.581247850288397,
"formula_full": "Cr7 Se8",
"formula_reduced": "Cr7Se8",
"formula_anonymous": "A7B8",
"energy_above_hull": 3.672950582222223,
"spacegroup": 12
},
{
"id": "jvasp-91981",
"created_at": "2022-09-04T14:36:19.364217Z",
"updated_at": "2022-09-04T14:36:19.364243Z",
"structure_string": "V4 N2 O2\n1.0\n4.836137 -0.041753 3.300408\n2.374936 2.807527 6.608037\n-0.055482 -0.099163 5.009511\nV N O\n4 2 2\ndirect\n0.040373 0.920903 0.062735 V\n0.267673 0.513095 0.016025 V\n0.690226 0.534210 0.013408 V\n0.481603 0.036051 0.928938 V\n0.779555 0.975432 0.513658 N\n0.512321 0.474769 0.548805 N\n0.235132 0.053559 0.436058 O\n0.968490 0.484829 0.538275 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"N",
"O"
],
"chemical_system": "N-O-V",
"density": 6.131649734438235,
"density_atomic": 0.11199002132720412,
"volume": 71.43493594510706,
"volume_molar": 5.377390493037729,
"formula_full": "V4 N2 O2",
"formula_reduced": "V2NO",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6730287875,
"spacegroup": 5
},
{
"id": "jvasp-30351",
"created_at": "2022-09-04T14:36:40.249643Z",
"updated_at": "2022-09-04T14:36:40.249661Z",
"structure_string": "Ti1 Mn5 O12\n1.0\n2.423885 4.210393 0.459609\n-2.454592 4.215986 0.229804\n0.416125 0.722827 9.105253\nTi Mn O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.145070 0.709862 0.499999 Mn\n0.666729 0.666542 -0.000000 Mn\n0.333271 0.333459 -0.000000 Mn\n0.854929 0.290140 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.038058 0.351983 0.889888 O\n0.313927 0.000000 0.110266 O\n0.609959 0.351983 0.110112 O\n0.801921 0.658926 0.601340 O\n0.125768 0.000001 0.625942 O\n0.198078 0.341076 0.398659 O\n0.539154 0.658925 0.398659 O\n0.686071 0.000002 0.889734 O\n0.390040 0.648019 0.889888 O\n-0.038058 0.648018 0.110111 O\n0.460845 0.341077 0.601340 O\n0.874230 0.000001 0.374058 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.60544022817352,
"density_atomic": 0.09702126977010933,
"volume": 185.52632884161144,
"volume_molar": 6.207031483167955,
"formula_full": "Ti1 Mn5 O12",
"formula_reduced": "TiMn5O12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.673375363346104,
"spacegroup": 12
},
{
"id": "jvasp-28972",
"created_at": "2022-09-04T14:37:15.198301Z",
"updated_at": "2022-09-04T14:37:15.198327Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257344 0.000000 0.000000\n-1.628672 2.821021 0.001315\n0.000000 0.014425 31.727910\nMo W Se S\n2 2 4 4\ndirect\n0.334940 0.669881 0.476483 Mo\n0.665632 0.331264 0.275028 Mo\n0.333505 0.667010 0.072457 W\n0.665998 0.331998 0.678966 W\n0.332198 0.664397 0.328552 Se\n0.332185 0.664371 0.732747 Se\n0.332290 0.664581 0.221530 Se\n0.332972 0.665944 0.625066 Se\n0.667086 0.334171 0.023537 S\n0.668567 0.337134 0.427723 S\n0.666635 0.333271 0.121431 S\n0.667985 0.335970 0.525227 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.716423498142995,
"density_atomic": 0.04115948463999996,
"volume": 291.54883995651534,
"volume_molar": 14.63123460527373,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.673495438888889,
"spacegroup": 156
},
{
"id": "jvasp-28579",
"created_at": "2022-09-04T14:37:09.448278Z",
"updated_at": "2022-09-04T14:37:09.448289Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257352 -0.000008 -0.000431\n-1.628682 2.820980 0.000038\n-0.004523 -0.002253 33.754069\nMo W Se S\n2 2 4 4\ndirect\n0.333204 0.666539 0.090376 Mo\n0.666717 0.333291 0.280515 Mo\n0.333418 0.666713 0.470581 W\n0.666661 0.333450 0.661445 W\n0.666429 0.333243 0.040117 Se\n0.666599 0.333294 0.419967 Se\n0.666639 0.333128 0.140691 Se\n0.666942 0.333543 0.521193 Se\n0.333554 0.666753 0.326319 S\n0.333538 0.666914 0.707429 S\n0.333147 0.666474 0.234703 S\n0.333160 0.666657 0.615413 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.373354648454966,
"density_atomic": 0.038689314777010625,
"volume": 310.1631566535383,
"volume_molar": 15.565384899446151,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.673542105555556,
"spacegroup": 156
},
{
"id": "jvasp-28650",
"created_at": "2022-09-04T14:37:05.044775Z",
"updated_at": "2022-09-04T14:37:05.044800Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257425 -0.000005 -0.000014\n-1.628716 2.821025 0.000056\n-0.000145 0.000527 34.561174\nMo W Se S\n2 2 4 4\ndirect\n0.333307 0.666592 0.093362 Mo\n0.333309 0.666658 0.472113 Mo\n0.666675 0.333356 0.279185 W\n0.666705 0.333398 0.658251 W\n0.333333 0.666664 0.328637 Se\n0.666650 0.333348 0.422975 Se\n0.666638 0.333309 0.521243 Se\n0.333346 0.666705 0.229749 Se\n0.333360 0.666697 0.703165 S\n0.666644 0.333275 0.048669 S\n0.666639 0.333251 0.138111 S\n0.333375 0.666752 0.613290 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.24766680236247,
"density_atomic": 0.037784335121049284,
"volume": 317.5919322532929,
"volume_molar": 15.93819433558095,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.673568772222223,
"spacegroup": 156
},
{
"id": "jvasp-28713",
"created_at": "2022-09-04T14:36:43.025430Z",
"updated_at": "2022-09-04T14:36:43.025444Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257460 0.000000 0.000002\n-1.628731 2.821039 0.000001\n0.000027 -0.000202 34.755314\nMo W Se S\n2 2 4 4\ndirect\n0.333324 0.666642 0.095107 Mo\n0.666651 0.333329 0.279578 Mo\n0.333351 0.666682 0.471423 W\n0.666678 0.333353 0.656803 W\n0.333319 0.666666 0.328446 Se\n0.666668 0.333315 0.422251 Se\n0.666695 0.333372 0.520582 Se\n0.333316 0.666658 0.230724 Se\n0.333340 0.666678 0.701467 S\n0.666666 0.333323 0.050664 S\n0.666651 0.333293 0.139607 S\n0.333351 0.666693 0.612095 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.218267224544023,
"density_atomic": 0.037572651806817244,
"volume": 319.3812366957474,
"volume_molar": 16.027989695705568,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.6735887722222222,
"spacegroup": 156
}
]
}