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=density&page=1132",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1130",
"results": [
{
"id": "jvasp-112859",
"created_at": "2022-09-04T14:38:43.935432Z",
"updated_at": "2022-09-04T14:38:43.935452Z",
"structure_string": "Li2 V6 O4 F12\n1.0\n10.138688 -0.000009 -1.207935\n-0.000007 4.644055 -0.000011\n0.013140 -0.000001 5.503052\nLi V O F\n2 6 4 12\ndirect\n0.000001 -0.000001 0.000001 Li\n0.499999 0.499999 -0.000002 Li\n0.000000 0.500003 0.500001 V\n0.247414 0.980482 0.729018 V\n0.252585 0.480481 0.270985 V\n0.500000 0.000001 0.499997 V\n0.747415 0.519520 0.729015 V\n0.752585 0.019520 0.270982 V\n0.674369 0.813284 0.523869 O\n0.825631 0.313283 0.476129 O\n0.174369 0.686717 0.523869 O\n0.325632 0.186713 0.476131 O\n0.927321 0.699394 0.779964 F\n0.076074 0.187264 0.719685 F\n0.072678 0.300608 0.220038 F\n0.181018 0.789175 0.024965 F\n0.318982 0.289177 0.975035 F\n0.427322 0.800607 0.779962 F\n0.423926 0.687263 0.280313 F\n0.576076 0.312737 0.719684 F\n0.572680 0.199392 0.220035 F\n0.681019 0.710825 0.024964 F\n0.818981 0.210825 0.975035 F\n0.923924 0.812738 0.280315 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.917833733385923,
"density_atomic": 0.09259871947008629,
"volume": 259.1828497990528,
"volume_molar": 6.503481683615975,
"formula_full": "Li2 V6 O4 F12",
"formula_reduced": "LiV3(OF3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.5562401079166666,
"spacegroup": 14
},
{
"id": "jvasp-117840",
"created_at": "2022-09-04T14:38:52.973321Z",
"updated_at": "2022-09-04T14:38:52.973351Z",
"structure_string": "P1 Br2\n1.0\n8.262770 0.000000 -5.268526\n0.000000 2.795434 0.000000\n-5.146147 0.000000 6.781929\nP Br\n1 2\ndirect\n0.075733 0.000000 0.404819 P\n-0.074320 0.000000 -0.048344 Br\n0.225681 0.000000 -0.142110 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.91800233386243,
"density_atomic": 0.037102228189949175,
"volume": 80.85767745918523,
"volume_molar": 16.231210506196422,
"formula_full": "P1 Br2",
"formula_reduced": "PBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.91577457,
"spacegroup": 65
},
{
"id": "jvasp-39088",
"created_at": "2022-09-04T14:37:49.398460Z",
"updated_at": "2022-09-04T14:37:49.398469Z",
"structure_string": "Si3 As1\n1.0\n0.000000 3.230997 3.230997\n3.230997 0.000000 3.230997\n3.230997 3.230997 0.000000\nSi As\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 Si\n0.750001 0.750001 0.750001 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"As"
],
"chemical_system": "As-Si",
"density": 3.9182555191684356,
"density_atomic": 0.059295308282316654,
"volume": 67.45896287367647,
"volume_molar": 10.156184248722345,
"formula_full": "Si3 As1",
"formula_reduced": "Si3As",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0943168875,
"spacegroup": 225
},
{
"id": "jvasp-97855",
"created_at": "2022-09-04T14:35:54.610324Z",
"updated_at": "2022-09-04T14:35:54.610349Z",
"structure_string": "Rb4 Mn4 F16\n1.0\n5.975074 0.000000 -0.081339\n0.000000 7.810571 0.000000\n0.017458 0.000000 7.860047\nRb Mn F\n4 4 16\ndirect\n0.521498 0.706255 0.252019 Rb\n0.478501 0.206255 0.247981 Rb\n0.478501 0.293745 0.747981 Rb\n0.521498 0.793745 0.752019 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.288340 0.567338 0.546426 F\n0.711660 0.432662 0.453575 F\n0.080667 0.514921 0.233891 F\n0.919332 0.014921 0.266109 F\n0.919332 0.485079 0.766110 F\n0.080667 0.985079 0.733891 F\n0.899139 0.731545 0.499393 F\n0.288997 0.944025 0.446565 F\n0.100860 0.268455 0.500607 F\n0.899139 0.768455 0.999393 F\n0.288339 0.932661 0.046425 F\n0.288997 0.555975 0.946565 F\n0.711002 0.055975 0.553435 F\n0.711660 0.067338 0.953575 F\n0.100860 0.231545 0.000607 F\n0.711002 0.444025 0.053435 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"F"
],
"chemical_system": "F-Mn-Rb",
"density": 3.9183291050098594,
"density_atomic": 0.06542547655827459,
"volume": 366.8295786676182,
"volume_molar": 9.204580656949542,
"formula_full": "Rb4 Mn4 F16",
"formula_reduced": "RbMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1670447719588121,
"spacegroup": 14
},
{
"id": "jvasp-42667",
"created_at": "2022-09-04T14:36:02.622331Z",
"updated_at": "2022-09-04T14:36:02.622353Z",
"structure_string": "Sr2 Ca2 I8\n1.0\n-5.322737 5.313168 4.760115\n5.322737 -5.313168 4.760115\n5.322737 5.313168 -4.760115\nSr Ca I\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.250705 0.250000 0.000705 Ca\n0.749295 0.750001 0.999295 Ca\n0.748591 0.042493 0.291083 I\n0.693527 0.500775 0.192752 I\n0.808024 0.000775 0.807248 I\n0.748591 0.457508 0.706099 I\n0.251410 0.542493 0.293902 I\n0.306473 0.499226 0.807248 I\n0.191977 0.999226 0.192752 I\n0.251410 0.957508 0.708917 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 3.918346259269291,
"density_atomic": 0.02228513418669184,
"volume": 538.475555025651,
"volume_molar": 27.02312990152997,
"formula_full": "Sr2 Ca2 I8",
"formula_reduced": "SrCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0099599999999999,
"spacegroup": 65
},
{
"id": "jvasp-21517",
"created_at": "2022-09-04T14:37:01.619088Z",
"updated_at": "2022-09-04T14:37:01.619107Z",
"structure_string": "Cu6 B12 O24\n1.0\n5.348850 0.000000 1.855274\n2.674425 8.184911 0.927637\n-0.007785 0.000000 8.660588\nCu B O\n6 12 24\ndirect\n0.500000 -0.000000 -0.000000 Cu\n0.206874 0.168126 0.668126 Cu\n0.125000 0.668126 0.831875 Cu\n0.625000 0.331874 0.168126 Cu\n0.043126 0.831874 0.331874 Cu\n0.750000 0.500000 0.500000 Cu\n0.367728 0.832551 0.537686 B\n0.737964 0.167449 0.462315 B\n0.882272 0.962315 0.667449 B\n0.625937 0.749063 0.249063 B\n0.155413 0.332551 0.962315 B\n0.512035 0.037685 0.332551 B\n0.125000 0.249063 0.250937 B\n0.625000 0.750937 0.749063 B\n0.624063 0.250937 0.750937 B\n0.799720 0.462315 0.832551 B\n0.450280 0.667449 0.037685 B\n0.094587 0.537685 0.167449 B\n0.234485 0.386271 0.238417 O\n0.859173 0.613729 0.761583 O\n0.334878 0.089394 0.229754 O\n0.654027 0.910606 0.770246 O\n0.575728 0.770246 0.089394 O\n0.372659 0.002341 0.502341 O\n0.595973 0.729754 0.589394 O\n0.435367 0.229754 0.910606 O\n0.527097 0.238417 0.613729 O\n0.722903 0.886270 0.261583 O\n0.015515 0.261583 0.113729 O\n0.390827 0.738417 0.886271 O\n0.870755 0.113729 0.738417 O\n0.625000 0.165828 0.334172 O\n0.209173 0.665828 0.165828 O\n0.125000 0.834172 0.665828 O\n0.814633 0.589394 0.270246 O\n0.125000 0.502341 0.997660 O\n0.625000 0.497659 0.002341 O\n0.877341 0.997659 0.497659 O\n0.674272 0.410606 0.729754 O\n0.915122 0.270246 0.410606 O\n0.379245 0.761583 0.386271 O\n0.040828 0.334172 0.834172 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-O",
"density": 3.9184280924144708,
"density_atomic": 0.11073684466813444,
"volume": 379.2775577620002,
"volume_molar": 5.438244857028085,
"formula_full": "Cu6 B12 O24",
"formula_reduced": "Cu(BO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.671297088095238,
"spacegroup": 122
},
{
"id": "jvasp-17589",
"created_at": "2022-09-04T14:38:31.346328Z",
"updated_at": "2022-09-04T14:38:31.346346Z",
"structure_string": "Li2 Fe2 P2\n1.0\n3.692320 0.000000 -0.000000\n0.000000 3.692320 0.000000\n0.000000 0.000000 5.828859\nLi Fe P\n2 2 2\ndirect\n0.500000 0.000000 0.653537 Li\n0.000000 0.500000 0.346464 Li\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.789252 P\n0.500000 0.000000 0.210748 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Fe",
"P"
],
"chemical_system": "Fe-Li-P",
"density": 3.9184415604178255,
"density_atomic": 0.07550383919967166,
"volume": 79.46615779540508,
"volume_molar": 7.975939798338345,
"formula_full": "Li2 Fe2 P2",
"formula_reduced": "LiFeP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.868067,
"spacegroup": 129
},
{
"id": "jvasp-95486",
"created_at": "2022-09-04T14:35:53.855932Z",
"updated_at": "2022-09-04T14:35:53.855961Z",
"structure_string": "Sr8 Si8 O24\n1.0\n6.114413 0.000000 0.000000\n0.000000 7.462506 -0.832849\n0.000000 -0.025375 12.165794\nSr Si O\n8 8 24\ndirect\n0.408112 0.584198 0.840683 Sr\n0.091888 0.084198 0.340683 Sr\n0.598893 0.910390 0.125606 Sr\n0.901107 0.410389 0.625606 Sr\n0.908112 0.915801 0.659317 Sr\n0.591887 0.415802 0.159317 Sr\n0.401107 0.089610 0.874394 Sr\n0.098893 0.589611 0.374394 Sr\n0.850757 0.331619 0.881390 Si\n0.088145 0.248527 0.092302 Si\n0.588144 0.251473 0.407698 Si\n0.411854 0.748527 0.592302 Si\n0.350757 0.168380 0.618610 Si\n0.911855 0.751472 0.907697 Si\n0.149243 0.668381 0.118610 Si\n0.649242 0.831620 0.381390 Si\n0.616941 0.657030 0.648037 O\n0.129105 0.148315 0.546671 O\n0.370895 0.648316 0.046671 O\n0.439388 0.773619 0.457551 O\n0.883059 0.157030 0.148037 O\n0.676092 0.701240 0.267830 O\n0.587199 0.037203 0.343732 O\n0.825673 0.344656 0.399307 O\n0.116941 0.842970 0.851962 O\n0.176092 0.798761 0.232170 O\n0.870894 0.851684 0.453329 O\n0.412800 0.962797 0.656267 O\n0.087199 0.462797 0.156267 O\n0.823907 0.201239 0.767829 O\n0.674326 0.844656 0.899307 O\n0.174326 0.655344 0.600692 O\n0.939388 0.726382 0.042449 O\n0.912800 0.537203 0.843732 O\n0.323908 0.298760 0.732170 O\n0.325673 0.155344 0.100693 O\n0.060612 0.273618 0.957551 O\n0.560612 0.226381 0.542449 O\n0.629105 0.351684 0.953329 O\n0.383059 0.342970 0.351963 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sr",
"Si",
"O"
],
"chemical_system": "O-Si-Sr",
"density": 3.9184902035737474,
"density_atomic": 0.07207442342707289,
"volume": 554.9818936876162,
"volume_molar": 8.35544770759545,
"formula_full": "Sr8 Si8 O24",
"formula_reduced": "SrSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4497330819999994,
"spacegroup": 14
},
{
"id": "jvasp-88092",
"created_at": "2022-09-04T14:35:55.319867Z",
"updated_at": "2022-09-04T14:35:55.319893Z",
"structure_string": "Zr1 Co1 F6\n1.0\n4.735178 0.144814 3.031985\n1.731656 4.409562 3.031984\n0.205624 0.144814 5.618946\nZr Co F\n1 1 6\ndirect\n0.500001 0.499999 0.500000 Zr\n0.000000 0.000000 0.000000 Co\n0.621382 0.248210 0.879149 F\n0.248213 0.879147 0.621381 F\n0.120852 0.378618 0.751789 F\n0.751789 0.120851 0.378619 F\n0.378620 0.751788 0.120851 F\n0.879149 0.621380 0.248211 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Co",
"F"
],
"chemical_system": "Co-F-Zr",
"density": 3.9185113149907007,
"density_atomic": 0.0714686045169106,
"volume": 111.93726327910983,
"volume_molar": 8.426274446949733,
"formula_full": "Zr1 Co1 F6",
"formula_reduced": "ZrCoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5914671368750002,
"spacegroup": 148
},
{
"id": "jvasp-46956",
"created_at": "2022-09-04T14:38:07.287694Z",
"updated_at": "2022-09-04T14:38:07.287732Z",
"structure_string": "Li3 V3 Cr1 O8\n1.0\n-4.014529 -0.002060 0.002403\n2.004414 6.064385 0.025395\n-0.002894 -1.870128 -6.164327\nLi V Cr O\n3 3 1 8\ndirect\n0.057917 0.120826 0.359861 Li\n0.174407 0.353821 0.005194 Li\n0.936984 0.878979 0.640543 Li\n0.605953 0.216893 0.701261 V\n0.291019 0.587047 0.700750 V\n0.392680 0.790350 0.287186 V\n0.713550 0.432104 0.311014 Cr\n0.651245 0.307510 0.000728 O\n0.561200 0.127391 0.363945 O\n0.118056 0.241108 0.687807 O\n0.767530 0.540064 0.644556 O\n0.228398 0.461803 0.335006 O\n0.881715 0.768423 0.322419 O\n0.439770 0.884539 0.637150 O\n0.342659 0.690309 0.994918 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 3.9188063189473574,
"density_atomic": 0.1001004553461072,
"volume": 149.8494681980818,
"volume_molar": 6.0160972686666145,
"formula_full": "Li3 V3 Cr1 O8",
"formula_reduced": "Li3V3CrO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 3.0929605333333337,
"spacegroup": 8
},
{
"id": "jvasp-18427",
"created_at": "2022-09-04T14:36:41.313206Z",
"updated_at": "2022-09-04T14:36:41.313223Z",
"structure_string": "Co1 H2 O2\n1.0\n1.572847 -2.724251 0.000000\n1.572847 2.724251 -0.000000\n0.000000 0.000000 4.595904\nCo H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.333334 0.666668 0.443708 H\n0.666668 0.333334 0.556291 H\n0.666668 0.333334 0.769133 O\n0.333334 0.666668 0.230866 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 3.9188083184784097,
"density_atomic": 0.1269508061022988,
"volume": 39.385334788429205,
"volume_molar": 4.74368059951291,
"formula_full": "Co1 H2 O2",
"formula_reduced": "Co(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.65418758,
"spacegroup": 164
},
{
"id": "jvasp-49976",
"created_at": "2022-09-04T14:38:11.476390Z",
"updated_at": "2022-09-04T14:38:11.476407Z",
"structure_string": "Li1 Ti3 O6\n1.0\n7.126748 1.480727 0.060727\n-7.126748 1.480727 -0.060727\n-0.191395 0.000000 4.948054\nLi Ti O\n1 3 6\ndirect\n0.779934 0.220068 0.934593 Li\n0.348988 0.651014 0.476590 Ti\n0.003759 0.996243 0.998885 Ti\n0.653899 0.346104 0.512990 Ti\n0.099037 0.900965 0.302334 O\n0.229601 0.770401 0.710521 O\n0.434964 0.565038 0.187368 O\n0.565552 0.434450 0.806032 O\n0.774055 0.225947 0.302305 O\n0.898024 0.101979 0.708077 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.918859800659672,
"density_atomic": 0.09572515010413679,
"volume": 104.4657541839451,
"volume_molar": 6.291074762952762,
"formula_full": "Li1 Ti3 O6",
"formula_reduced": "LiTi3O6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.8806496,
"spacegroup": 8
}
]
}