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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4362",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4360",
"results": [
{
"id": "jvasp-43498",
"created_at": "2022-09-04T14:36:35.440981Z",
"updated_at": "2022-09-04T14:36:35.440997Z",
"structure_string": "Ba2 Ti6 N2 O11\n1.0\n3.904715 -0.001929 0.000543\n-1.948722 7.728349 -0.006629\n-0.001671 -1.266554 9.168893\nBa Ti N O\n2 6 2 11\ndirect\n0.547833 0.095852 0.773563 Ba\n0.448262 0.896776 0.235643 Ba\n0.113998 0.228240 0.094341 Ti\n0.170665 0.341574 0.439498 Ti\n0.239079 0.478315 0.771718 Ti\n0.750742 0.501735 0.220818 Ti\n0.831653 0.663516 0.559299 Ti\n0.883356 0.766877 0.911590 Ti\n0.639422 0.279093 0.111313 N\n0.997546 0.995281 0.000140 N\n0.831572 0.663343 0.088535 O\n0.358155 0.716471 0.882839 O\n0.298013 0.596233 0.571152 O\n0.243970 0.488179 0.251365 O\n0.074096 0.148447 0.302929 O\n0.702441 0.405124 0.428854 O\n0.167274 0.334749 0.908534 O\n0.130871 0.261920 0.617003 O\n0.875276 0.750806 0.390575 O\n0.755765 0.511710 0.753634 O\n0.925200 0.850586 0.704285 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"N",
"O"
],
"chemical_system": "Ba-N-O-Ti",
"density": 4.597381630456027,
"density_atomic": 0.07591538140093194,
"volume": 276.62378311837347,
"volume_molar": 7.932701711916938,
"formula_full": "Ba2 Ti6 N2 O11",
"formula_reduced": "Ba2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.436228901904762,
"spacegroup": 8
},
{
"id": "jvasp-101705",
"created_at": "2022-09-04T14:36:36.312694Z",
"updated_at": "2022-09-04T14:36:36.312722Z",
"structure_string": "Na2 Mn3 Te4\n1.0\n7.992843 0.032908 3.826497\n6.741026 4.294788 3.826497\n0.024061 0.007067 7.781267\nNa Mn Te\n2 3 4\ndirect\n0.237382 0.237383 0.767272 Na\n0.744631 0.744633 0.246269 Na\n0.573335 0.573337 0.770069 Mn\n0.940193 0.940195 0.709031 Mn\n0.447644 0.447645 0.237279 Mn\n0.869536 0.869538 0.458004 Te\n0.384428 0.384429 0.952326 Te\n0.117536 0.117537 0.536861 Te\n0.620519 0.620520 0.051893 Te\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Mn",
"Te"
],
"chemical_system": "Mn-Na-Te",
"density": 4.519822646805024,
"density_atomic": 0.033967446300392,
"volume": 264.9595710083197,
"volume_molar": 17.72915369245907,
"formula_full": "Na2 Mn3 Te4",
"formula_reduced": "Na2Mn3Te4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.931243421200511,
"spacegroup": 8
},
{
"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-102165",
"created_at": "2022-09-04T14:36:37.328720Z",
"updated_at": "2022-09-04T14:36:37.328735Z",
"structure_string": "W4 N6\n1.0\n4.944424 0.001897 0.792613\n-2.639979 4.180651 0.792613\n-0.000571 -0.001036 5.371461\nW N\n4 6\ndirect\n0.330614 0.993546 0.008951 W\n0.677416 0.677417 0.983902 W\n0.993546 0.330615 0.008951 W\n0.492285 0.492286 0.521588 W\n0.092854 0.092854 0.749740 N\n0.411527 0.746475 0.747128 N\n0.746475 0.411527 0.747128 N\n0.263568 0.580278 0.250727 N\n0.904093 0.904094 0.253150 N\n0.580278 0.263568 0.250727 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 12.250566213958871,
"density_atomic": 0.0900349232959127,
"volume": 111.06801265475136,
"volume_molar": 6.68867206140374,
"formula_full": "W4 N6",
"formula_reduced": "W2N3",
"formula_anonymous": "A2B3",
"energy_above_hull": 6.541457950000001,
"spacegroup": 8
},
{
"id": "jvasp-100561",
"created_at": "2022-09-04T14:36:39.235034Z",
"updated_at": "2022-09-04T14:36:39.235061Z",
"structure_string": "Fe1 Co2 Se4\n1.0\n5.575031 0.014806 2.829253\n4.443029 3.367593 2.829253\n-0.010649 -0.003595 6.099722\nFe Co Se\n1 2 4\ndirect\n0.740124 0.740124 0.292240 Fe\n0.996640 0.996641 0.002010 Co\n0.263979 0.263977 0.705557 Co\n0.115543 0.115542 0.551195 Se\n0.885184 0.885183 0.452252 Se\n0.364478 0.364476 0.975897 Se\n0.634054 0.634054 0.020844 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Fe",
"Co",
"Se"
],
"chemical_system": "Co-Fe-Se",
"density": 7.116505865943406,
"density_atomic": 0.06127981791905655,
"volume": 114.23010442436657,
"volume_molar": 9.827282398186204,
"formula_full": "Fe1 Co2 Se4",
"formula_reduced": "Fe(CoSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.499345823809524,
"spacegroup": 8
},
{
"id": "jvasp-101125",
"created_at": "2022-09-04T14:36:43.576254Z",
"updated_at": "2022-09-04T14:36:43.576273Z",
"structure_string": "Rb1 Na1 Cd3 O4\n1.0\n5.020059 0.028824 4.601652\n3.646152 3.450710 4.601652\n0.068314 0.027428 9.164324\nRb Na Cd O\n1 1 3 4\ndirect\n0.995159 0.995158 0.003591 Rb\n0.180301 0.180302 0.451263 Na\n0.808577 0.808577 0.553497 Cd\n0.379343 0.379344 0.801740 Cd\n0.629403 0.629402 0.194414 Cd\n0.240166 0.240166 0.152907 O\n0.765712 0.765712 0.833024 O\n0.597341 0.597341 0.652693 O\n0.403995 0.403995 0.356869 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Cd",
"O"
],
"chemical_system": "Cd-Na-O-Rb",
"density": 5.406677902865108,
"density_atomic": 0.05749358061234559,
"volume": 156.53921540707503,
"volume_molar": 10.47445766268185,
"formula_full": "Rb1 Na1 Cd3 O4",
"formula_reduced": "RbNaCd3O4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.1603813611111112,
"spacegroup": 8
},
{
"id": "jvasp-103512",
"created_at": "2022-09-04T14:36:40.567867Z",
"updated_at": "2022-09-04T14:36:40.567891Z",
"structure_string": "Ca2 Zn1 Ga3\n1.0\n4.449177 -0.000715 3.650526\n2.194696 3.870206 3.650526\n-0.004303 -0.002506 7.323898\nCa Zn Ga\n2 1 3\ndirect\n0.459086 0.459086 0.791044 Ca\n0.542563 0.542564 0.208426 Ca\n0.833309 0.833309 0.608850 Zn\n0.159436 0.159436 0.394211 Ga\n0.165341 0.165340 0.781145 Ga\n0.840268 0.840269 0.216323 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ga"
],
"chemical_system": "Ca-Ga-Zn",
"density": 4.667410291954764,
"density_atomic": 0.04754176668580582,
"volume": 126.2048177479987,
"volume_molar": 12.667052951143239,
"formula_full": "Ca2 Zn1 Ga3",
"formula_reduced": "Ca2ZnGa3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-79298",
"created_at": "2022-09-04T14:36:40.825557Z",
"updated_at": "2022-09-04T14:36:40.825579Z",
"structure_string": "Mn1 In2 W1\n1.0\n-0.144547 3.442704 3.525709\n5.009627 0.510584 2.628126\n5.000188 2.638948 0.549346\nMn In W\n1 2 1\ndirect\n0.477959 0.468944 0.468875 Mn\n0.943037 0.018712 0.018758 In\n0.308624 0.230929 0.230995 In\n0.770381 0.781420 0.781364 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"In",
"W"
],
"chemical_system": "In-Mn-W",
"density": 10.463319430003208,
"density_atomic": 0.0538084484175514,
"volume": 74.33776883808581,
"volume_molar": 11.191812693182362,
"formula_full": "Mn1 In2 W1",
"formula_reduced": "MnIn2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.904044295344828,
"spacegroup": 8
},
{
"id": "jvasp-102744",
"created_at": "2022-09-04T14:36:41.268766Z",
"updated_at": "2022-09-04T14:36:41.268791Z",
"structure_string": "Hg2 I1 Br3\n1.0\n4.219624 0.237045 0.051357\n1.593461 3.914371 0.051357\n-0.104633 -0.074724 12.719716\nHg I Br\n2 1 3\ndirect\n0.840590 0.840592 0.444195 Hg\n0.158045 0.158046 0.927782 Hg\n0.569559 0.569561 0.296505 I\n0.431175 0.431177 0.799576 Br\n0.110579 0.110579 0.575526 Br\n0.890048 0.890050 0.059459 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hg",
"I",
"Br"
],
"chemical_system": "Br-Hg-I",
"density": 6.209632424449247,
"density_atomic": 0.0292228073469651,
"volume": 205.31908275483065,
"volume_molar": 20.607673617727983,
"formula_full": "Hg2 I1 Br3",
"formula_reduced": "Hg2IBr3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-13302",
"created_at": "2022-09-04T14:36:41.298239Z",
"updated_at": "2022-09-04T14:36:41.298269Z",
"structure_string": "Na3 U1 F7\n1.0\n5.558738 0.157912 -0.322217\n0.157912 5.558738 -0.322217\n-2.621393 -2.621393 5.704527\nNa U F\n3 1 7\ndirect\n0.229726 0.773626 0.524170 Na\n0.503332 0.503332 0.969564 Na\n0.773626 0.229726 0.524170 Na\n0.964298 0.964298 0.980921 U\n0.165380 0.165380 0.853936 F\n0.093372 0.619037 0.737407 F\n0.367282 0.931581 0.234132 F\n0.619037 0.093372 0.737407 F\n0.604486 0.604486 0.716685 F\n0.931581 0.367282 0.234132 F\n0.872884 0.872884 0.237474 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Na",
"U",
"F"
],
"chemical_system": "F-Na-U",
"density": 4.374905448535684,
"density_atomic": 0.06586768114637435,
"volume": 167.00147642294053,
"volume_molar": 9.142785437697901,
"formula_full": "Na3 U1 F7",
"formula_reduced": "Na3UF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0166129886363636,
"spacegroup": 8
},
{
"id": "jvasp-102658",
"created_at": "2022-09-04T14:36:41.326624Z",
"updated_at": "2022-09-04T14:36:41.326644Z",
"structure_string": "V2 Fe1 Te4\n1.0\n6.223090 0.034072 3.367678\n4.939877 3.784921 3.367678\n0.018393 0.006292 6.861470\nV Fe Te\n2 1 4\ndirect\n0.995927 0.995925 0.002621 V\n0.251718 0.251717 0.727458 V\n0.751616 0.751614 0.272856 Fe\n0.881862 0.881860 0.455004 Te\n0.121224 0.121223 0.532925 Te\n0.630130 0.630129 0.040987 Te\n0.367528 0.367527 0.968152 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Fe",
"Te"
],
"chemical_system": "Fe-Te-V",
"density": 6.925421517164693,
"density_atomic": 0.0436953761093351,
"volume": 160.20001710214177,
"volume_molar": 13.782100753478643,
"formula_full": "V2 Fe1 Te4",
"formula_reduced": "V2FeTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.548826423809524,
"spacegroup": 8
},
{
"id": "jvasp-48135",
"created_at": "2022-09-04T14:36:41.830494Z",
"updated_at": "2022-09-04T14:36:41.830503Z",
"structure_string": "Fe4 O1 F7\n1.0\n-4.807647 -0.059295 0.000000\n0.058702 4.859027 -3.080002\n-0.058702 -4.859027 -3.080002\nFe O F\n4 1 7\ndirect\n0.511738 0.005276 0.494723 Fe\n0.508300 0.504777 0.995222 Fe\n0.989548 0.472884 0.483705 Fe\n0.989548 0.016295 0.027116 Fe\n0.787139 0.147948 0.352052 O\n0.796892 0.655308 0.844691 F\n0.708478 0.153836 0.853430 F\n0.708478 0.646570 0.346163 F\n0.288828 0.843229 0.146847 F\n0.288828 0.353152 0.656771 F\n0.219568 0.354052 0.145947 F\n0.202663 0.846675 0.653324 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.29757579990028,
"density_atomic": 0.0834032707815065,
"volume": 143.87924942939804,
"volume_molar": 7.220509104224873,
"formula_full": "Fe4 O1 F7",
"formula_reduced": "Fe4OF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.3728881231249996,
"spacegroup": 8
}
]
}