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=593",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=591",
"results": [
{
"id": "jvasp-72291",
"created_at": "2022-09-04T14:36:06.421208Z",
"updated_at": "2022-09-04T14:36:06.421235Z",
"structure_string": "Zr1 Ti2 Be1\n1.0\n-1.967503 1.967503 4.231139\n1.967503 -1.967503 4.231139\n1.967503 1.967503 -4.231139\nZr Ti Be\n1 2 1\ndirect\n0.250000 0.749999 0.499999 Zr\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.749999 0.250000 0.499999 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Be"
],
"chemical_system": "Be-Ti-Zr",
"density": 4.966963891050963,
"density_atomic": 0.06105368767189912,
"volume": 65.5161080768109,
"volume_molar": 9.863680622148202,
"formula_full": "Zr1 Ti2 Be1",
"formula_reduced": "ZrTi2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4569293166666677,
"spacegroup": 139
},
{
"id": "jvasp-44728",
"created_at": "2022-09-04T14:36:36.871974Z",
"updated_at": "2022-09-04T14:36:36.871998Z",
"structure_string": "V2 Cr3 Sb3 O16\n1.0\n6.054840 -0.022211 -0.064084\n-3.046660 5.276856 -0.000024\n-0.093195 -0.053815 8.880746\nV Cr Sb O\n2 3 3 16\ndirect\n0.302735 0.651377 0.479887 V\n0.646326 0.323172 0.003862 V\n0.171853 0.835207 0.205905 Cr\n0.171853 0.336661 0.205907 Cr\n0.340906 0.170462 0.707221 Cr\n0.666033 0.833026 0.211565 Sb\n0.837934 0.666933 0.712959 Sb\n0.837931 0.171014 0.712964 Sb\n0.826621 0.653297 0.098885 O\n0.664755 0.332383 0.591209 O\n0.524824 0.053490 0.839605 O\n0.524827 0.471354 0.839603 O\n0.662354 0.831186 0.599916 O\n0.347960 0.173991 0.103290 O\n0.469947 0.520706 0.344915 O\n0.011920 0.005966 0.311125 O\n0.166706 0.337495 0.600494 O\n0.014968 0.007491 0.823162 O\n0.963168 0.481594 0.849120 O\n0.328721 0.664364 0.096501 O\n0.054379 0.527199 0.333351 O\n0.166706 0.829233 0.600491 O\n0.469944 0.949255 0.344913 O\n0.826619 0.173340 0.098887 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"V",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-O-Sb-V",
"density": 5.156628829521412,
"density_atomic": 0.08477526115077987,
"volume": 283.10145759756494,
"volume_molar": 7.103653445890448,
"formula_full": "V2 Cr3 Sb3 O16",
"formula_reduced": "V2Cr3Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.456848120833333,
"spacegroup": 8
},
{
"id": "jvasp-57814",
"created_at": "2022-09-04T14:38:02.061002Z",
"updated_at": "2022-09-04T14:38:02.061019Z",
"structure_string": "K2 Y1 Nb5 O15\n1.0\n3.969082 0.000000 0.000000\n0.000000 8.653168 -3.473407\n0.000000 0.000040 9.324262\nK Y Nb O\n2 1 5 15\ndirect\n0.000000 0.699841 0.300159 K\n0.000000 0.300159 0.699841 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.058109 0.317446 Nb\n0.500000 0.317446 0.058109 Nb\n0.500000 0.941892 0.682554 Nb\n0.500000 0.682555 0.941891 Nb\n0.500000 0.500000 0.500000 Nb\n0.000000 0.500000 0.500000 O\n0.000000 0.723919 0.953868 O\n0.500000 0.272181 0.458282 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.276081 0.046131 O\n0.500000 0.727820 0.541717 O\n0.500000 0.165136 0.834864 O\n0.000000 0.046131 0.276081 O\n0.500000 0.874516 0.874515 O\n0.500000 0.541718 0.727819 O\n0.500000 0.458283 0.272180 O\n0.500000 0.834864 0.165136 O\n0.500000 0.125485 0.125485 O\n0.000000 0.953869 0.723919 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"K",
"Y",
"Nb",
"O"
],
"chemical_system": "K-Nb-O-Y",
"density": 4.519584672509063,
"density_atomic": 0.07182033277621623,
"volume": 320.2435732463857,
"volume_molar": 8.38500815467437,
"formula_full": "K2 Y1 Nb5 O15",
"formula_reduced": "K2YNb5O15",
"formula_anonymous": "AB2C5D15",
"energy_above_hull": 3.456761345652174,
"spacegroup": 65
},
{
"id": "jvasp-57412",
"created_at": "2022-09-04T14:38:33.024442Z",
"updated_at": "2022-09-04T14:38:33.024468Z",
"structure_string": "Ni2 B8 O14\n1.0\n5.211394 0.000000 -0.000000\n0.000000 5.501047 -3.105435\n-0.000000 -0.016580 6.317037\nNi B O\n2 8 14\ndirect\n0.749999 0.737500 0.737500 Ni\n0.250000 0.262501 0.262500 Ni\n0.250000 0.934363 0.703141 B\n0.000000 0.700796 0.299204 B\n0.500000 0.700796 0.299204 B\n0.749999 0.296859 0.065638 B\n0.000000 0.299204 0.700796 B\n0.250000 0.703141 0.934362 B\n0.749999 0.065638 0.296859 B\n0.500000 0.299204 0.700796 B\n0.976536 0.438677 0.186862 O\n0.523463 0.186862 0.438677 O\n0.749999 0.799106 0.245430 O\n0.749999 0.245431 0.799106 O\n0.023464 0.561323 0.813138 O\n0.250000 0.936977 0.936976 O\n0.023464 0.813139 0.561323 O\n0.749999 0.063024 0.063024 O\n0.476536 0.561323 0.813138 O\n0.250000 0.754570 0.200894 O\n0.523463 0.438677 0.186862 O\n0.250000 0.200894 0.754570 O\n0.976536 0.186862 0.438677 O\n0.476536 0.813139 0.561323 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ni",
"B",
"O"
],
"chemical_system": "B-Ni-O",
"density": 3.929058988838949,
"density_atomic": 0.13272187557597387,
"volume": 180.82927095361686,
"volume_molar": 4.537413846711917,
"formula_full": "Ni2 B8 O14",
"formula_reduced": "NiB4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.456314769444445,
"spacegroup": 63
},
{
"id": "jvasp-35512",
"created_at": "2022-09-04T14:37:37.404471Z",
"updated_at": "2022-09-04T14:37:37.404485Z",
"structure_string": "Lu2 Fe2 Si2 C1\n1.0\n-0.000000 -3.860810 -0.000000\n4.050230 -1.930405 -3.291767\n4.031712 -1.930405 3.309074\nLu Fe Si C\n2 2 2 1\ndirect\n0.440446 0.827642 0.291464 Lu\n0.559552 0.172359 0.708535 Lu\n0.797321 0.306864 0.098493 Fe\n0.202677 0.693137 0.901506 Fe\n0.842324 0.608156 0.707195 Si\n0.157674 0.391845 0.292804 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Lu",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Lu-Si",
"density": 8.542789003893503,
"density_atomic": 0.06797230478559181,
"volume": 102.98311969971336,
"volume_molar": 8.859697753365753,
"formula_full": "Lu2 Fe2 Si2 C1",
"formula_reduced": "Lu2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.4562456714285714,
"spacegroup": 12
},
{
"id": "jvasp-109375",
"created_at": "2022-09-04T14:38:08.356420Z",
"updated_at": "2022-09-04T14:38:08.356446Z",
"structure_string": "Nb2 Mo2 S6\n1.0\n3.289007 -0.000000 0.000000\n-0.000000 6.058294 1.496101\n0.000000 -0.046754 8.755250\nNb Mo S\n2 2 6\ndirect\n0.250000 0.691590 0.007974 Nb\n0.750001 0.308410 0.992026 Nb\n0.250000 0.887394 0.622859 Mo\n0.750001 0.112606 0.377141 Mo\n0.250000 0.028126 0.164646 S\n0.750001 0.971874 0.835354 S\n0.250000 0.492828 0.796078 S\n0.750001 0.507172 0.203922 S\n0.250000 0.269669 0.516093 S\n0.750001 0.730331 0.483907 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nb",
"Mo",
"S"
],
"chemical_system": "Mo-Nb-S",
"density": 5.419147403681199,
"density_atomic": 0.05724584352530611,
"volume": 174.68517160690274,
"volume_molar": 10.519786921015237,
"formula_full": "Nb2 Mo2 S6",
"formula_reduced": "NbMoS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.45623106,
"spacegroup": 11
},
{
"id": "jvasp-86883",
"created_at": "2022-09-04T14:35:59.114530Z",
"updated_at": "2022-09-04T14:35:59.114557Z",
"structure_string": "Ce6 B2 C3 Br3\n1.0\n3.664744 0.000000 0.000000\n0.000000 7.863797 -3.395573\n0.000000 -0.172856 10.112589\nCe B C Br\n6 2 3 3\ndirect\n0.000000 0.288956 0.484175 Ce\n0.499999 0.939079 0.157961 Ce\n0.499999 0.368685 0.219071 Ce\n0.000000 0.711044 0.515825 Ce\n0.499999 0.060921 0.842039 Ce\n0.499999 0.631315 0.780929 Ce\n0.000000 0.102352 0.064219 B\n0.000000 0.897648 0.935781 B\n0.000000 0.164391 0.229430 C\n0.000000 0.835609 0.770571 C\n0.499999 0.500000 0.500000 C\n0.000000 0.352839 0.814840 Br\n0.499999 -0.000000 0.500000 Br\n0.000000 0.647161 0.185161 Br\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ce",
"B",
"C",
"Br"
],
"chemical_system": "B-Br-C-Ce",
"density": 6.532720678940343,
"density_atomic": 0.04839573243244957,
"volume": 289.28170514912864,
"volume_molar": 12.443536769291926,
"formula_full": "Ce6 B2 C3 Br3",
"formula_reduced": "Ce6B2(CBr)3",
"formula_anonymous": "A2B3C3D6",
"energy_above_hull": 3.4562064629761906,
"spacegroup": 10
},
{
"id": "jvasp-86281",
"created_at": "2022-09-04T14:36:14.474691Z",
"updated_at": "2022-09-04T14:36:14.474718Z",
"structure_string": "Ce6 B2 C3 Br3\n1.0\n3.665764 0.000000 0.000000\n0.000000 7.863227 -3.395599\n0.000000 -0.172569 10.113292\nCe B C Br\n6 2 3 3\ndirect\n0.000000 0.288938 0.484150 Ce\n0.499999 0.939059 0.157929 Ce\n0.499999 0.368694 0.219100 Ce\n0.000000 0.711062 0.515849 Ce\n0.499999 0.060941 0.842071 Ce\n0.499999 0.631306 0.780900 Ce\n0.000000 0.102351 0.064228 B\n0.000000 0.897650 0.935772 B\n0.000000 0.164382 0.229426 C\n0.000000 0.835619 0.770574 C\n0.499999 0.500000 0.500000 C\n0.000000 0.352836 0.814818 Br\n0.499999 -0.000000 0.500000 Br\n0.000000 0.647164 0.185182 Br\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ce",
"B",
"C",
"Br"
],
"chemical_system": "B-Br-C-Ce",
"density": 6.530842243016353,
"density_atomic": 0.04838181659449526,
"volume": 289.36490990693557,
"volume_molar": 12.44711584617346,
"formula_full": "Ce6 B2 C3 Br3",
"formula_reduced": "Ce6B2(CBr)3",
"formula_anonymous": "A2B3C3D6",
"energy_above_hull": 3.456204320119048,
"spacegroup": 10
},
{
"id": "jvasp-35365",
"created_at": "2022-09-04T14:37:33.930593Z",
"updated_at": "2022-09-04T14:37:33.930604Z",
"structure_string": "Ti4 B2\n1.0\n0.000000 -0.000000 4.772875\n-2.817821 2.817821 2.386437\n-2.817821 -2.817821 2.386437\nTi B\n4 2\ndirect\n0.165014 0.500000 0.169973 Ti\n0.834987 0.500000 0.830027 Ti\n0.334987 0.830027 0.500000 Ti\n0.665013 0.169973 0.500000 Ti\n0.250000 0.000000 0.000000 B\n0.749999 0.000000 0.000000 B\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"B"
],
"chemical_system": "B-Ti",
"density": 4.668477906744726,
"density_atomic": 0.07916156863038877,
"volume": 75.79435455624237,
"volume_molar": 7.6074045325173145,
"formula_full": "Ti4 B2",
"formula_reduced": "Ti2B",
"formula_anonymous": "AB2",
"energy_above_hull": 3.456166416666667,
"spacegroup": 140
},
{
"id": "jvasp-57291",
"created_at": "2022-09-04T14:38:16.625661Z",
"updated_at": "2022-09-04T14:38:16.625693Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053391 0.013210 0.004340\n-2.377349 5.624807 -0.019624\n-0.183303 -2.295863 5.733900\nCu Bi W O\n1 1 2 8\ndirect\n0.861416 0.901204 0.788505 Cu\n0.361596 0.901334 0.288697 Bi\n0.116874 0.422727 0.620718 W\n0.606265 0.379918 0.956659 W\n0.329965 0.211272 0.626126 O\n0.823804 0.198566 0.810970 O\n0.361592 0.648510 0.512046 O\n0.857370 0.628451 0.217808 O\n0.865850 0.174241 0.359523 O\n0.393131 0.591351 0.951285 O\n0.899282 0.604041 0.766346 O\n0.361659 0.154192 0.065423 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cu",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-Cu-O-W",
"density": 7.827721083824955,
"density_atomic": 0.0736363551647444,
"volume": 162.96298171131312,
"volume_molar": 8.178216787790278,
"formula_full": "Cu1 Bi1 W2 O8",
"formula_reduced": "CuBi(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.4561310625,
"spacegroup": 2
},
{
"id": "jvasp-54474",
"created_at": "2022-09-04T14:37:46.157111Z",
"updated_at": "2022-09-04T14:37:46.157122Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053386 0.011524 0.005820\n-2.375638 5.625630 -0.022274\n-0.185695 -2.294140 5.734487\nCu Bi W O\n1 1 2 8\ndirect\n0.861250 0.901091 0.788304 Cu\n0.361617 0.901345 0.288719 Bi\n0.116876 0.422746 0.620739 W\n0.606262 0.379907 0.956672 W\n0.329941 0.211284 0.626137 O\n0.823776 0.198553 0.810930 O\n0.361689 0.648599 0.512166 O\n0.857401 0.628456 0.217826 O\n0.865908 0.174283 0.359497 O\n0.393119 0.591327 0.951339 O\n0.899271 0.604044 0.766357 O\n0.361684 0.154164 0.065420 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cu",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-Cu-O-W",
"density": 7.827895006419124,
"density_atomic": 0.07363799127642726,
"volume": 162.9593609493446,
"volume_molar": 8.178035081638338,
"formula_full": "Cu1 Bi1 W2 O8",
"formula_reduced": "CuBi(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.456130229166667,
"spacegroup": 2
},
{
"id": "jvasp-94352",
"created_at": "2022-09-04T14:35:43.652952Z",
"updated_at": "2022-09-04T14:35:43.652979Z",
"structure_string": "Hf4 Mg2\n1.0\n5.589255 0.000000 0.000000\n-0.000000 5.589255 0.000000\n0.000000 0.000000 5.025918\nHf Mg\n4 2\ndirect\n0.331738 0.331738 0.000000 Hf\n0.668261 0.668261 0.000000 Hf\n0.831738 0.168261 0.500000 Hf\n0.168261 0.831738 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg",
"density": 8.06502219124616,
"density_atomic": 0.03821448435028311,
"volume": 157.00852967169632,
"volume_molar": 15.758791103393198,
"formula_full": "Hf4 Mg2",
"formula_reduced": "Hf2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4560894761904764,
"spacegroup": 136
}
]
}