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=volume&page=3821",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3819",
"results": [
{
"id": "jvasp-26793",
"created_at": "2022-09-04T14:37:12.907171Z",
"updated_at": "2022-09-04T14:37:12.907197Z",
"structure_string": "Na8 Ru4 O12\n1.0\n5.422949 -0.003303 -0.457776\n-2.766905 4.663972 -0.457776\n-0.019367 -0.033985 10.746122\nNa Ru O\n8 4 12\ndirect\n0.914949 0.085052 0.250000 Na\n0.841281 0.682308 -0.000040 Na\n0.682309 0.841281 0.499960 Na\n0.317692 0.158720 0.500039 Na\n0.000000 0.500000 0.500000 Na\n0.158720 0.317692 0.000039 Na\n0.085052 0.914949 0.750000 Na\n0.500000 0.000000 -0.000000 Na\n0.581995 0.418006 0.250000 Ru\n0.751072 0.248930 0.750000 Ru\n0.418006 0.581995 0.750000 Ru\n0.248929 0.751072 0.250000 Ru\n0.318233 0.487835 0.352898 O\n0.582203 0.120070 0.353121 O\n0.487835 0.318234 0.852898 O\n0.512167 0.681768 0.147101 O\n0.246762 0.049303 0.146143 O\n0.681768 0.512167 0.647101 O\n0.417798 0.879932 0.646878 O\n0.950699 0.753239 0.353856 O\n0.120069 0.582203 0.853121 O\n0.879932 0.417798 0.146878 O\n0.753239 0.950699 0.853856 O\n0.049302 0.246762 0.646143 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Ru",
"O"
],
"chemical_system": "Na-O-Ru",
"density": 4.771266021015635,
"density_atomic": 0.08838831704696345,
"volume": 271.5290979830293,
"volume_molar": 6.8132768687068115,
"formula_full": "Na8 Ru4 O12",
"formula_reduced": "Na2RuO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.6534114999999998,
"spacegroup": 15
},
{
"id": "jvasp-106453",
"created_at": "2022-09-04T14:36:46.495837Z",
"updated_at": "2022-09-04T14:36:46.495869Z",
"structure_string": "Na2 Al1 Hg1 Cl6\n1.0\n6.294766 -0.000000 3.634285\n2.098255 5.934762 3.634285\n-0.000000 -0.000000 7.268570\nNa Al Hg Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500001 0.500000 0.499999 Hg\n0.772860 0.227140 0.227139 Cl\n0.227141 0.227140 0.772859 Cl\n0.227141 0.772859 0.772859 Cl\n0.227141 0.772859 0.227139 Cl\n0.772860 0.227140 0.772859 Cl\n0.772861 0.772859 0.227139 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Al",
"Hg",
"Cl"
],
"chemical_system": "Al-Cl-Hg-Na",
"density": 2.973677558207323,
"density_atomic": 0.036827151216678816,
"volume": 271.5387878134612,
"volume_molar": 16.352448020124363,
"formula_full": "Na2 Al1 Hg1 Cl6",
"formula_reduced": "Na2AlHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-62041",
"created_at": "2022-09-04T14:35:56.342881Z",
"updated_at": "2022-09-04T14:35:56.342911Z",
"structure_string": "Li4 Al4 H16\n1.0\n0.000000 4.837978 0.034786\n7.832046 0.000000 0.000000\n0.000000 -2.935720 -7.187804\nLi Al H\n4 4 16\ndirect\n0.579757 0.536967 0.829382 Li\n0.420242 0.036967 0.670617 Li\n0.420242 0.463033 0.170617 Li\n0.579757 0.963034 0.329382 Li\n0.145359 0.799339 0.931983 Al\n0.854641 0.299339 0.568016 Al\n0.854641 0.200662 0.068016 Al\n0.145359 0.700662 0.431983 Al\n0.197648 0.234927 0.626189 H\n0.802351 0.734927 0.873810 H\n0.248470 0.578750 0.615659 H\n0.751529 0.078750 0.884340 H\n0.751529 0.421250 0.384340 H\n0.248471 0.921250 0.115659 H\n0.366666 0.868995 0.480633 H\n0.177071 0.597892 0.258177 H\n0.633334 0.131006 0.519366 H\n0.366665 0.631006 0.980633 H\n0.197648 0.265074 0.126189 H\n0.822928 0.097891 0.241822 H\n0.822928 0.402109 0.741821 H\n0.177071 0.902109 0.758177 H\n0.633334 0.368994 0.019366 H\n0.802351 0.765074 0.373810 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Al",
"H"
],
"chemical_system": "Al-H-Li",
"density": 0.9283505121978224,
"density_atomic": 0.08837983048916724,
"volume": 271.5551712100386,
"volume_molar": 6.8139311047198,
"formula_full": "Li4 Al4 H16",
"formula_reduced": "LiAlH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3012488000000006,
"spacegroup": 14
},
{
"id": "jvasp-111545",
"created_at": "2022-09-04T14:38:41.058447Z",
"updated_at": "2022-09-04T14:38:41.058481Z",
"structure_string": "Mg6 Bi4 N8\n1.0\n7.071286 0.005265 -0.948515\n-7.672763 7.040397 0.000000\n0.011437 0.012464 5.446830\nMg Bi N\n6 4 8\ndirect\n0.220999 0.029801 0.142879 Mg\n0.779003 0.808803 0.357123 Mg\n0.779003 0.970200 0.857122 Mg\n0.220999 0.191198 0.642879 Mg\n0.000000 0.726055 0.750000 Mg\n0.000000 0.273945 0.250000 Mg\n0.645711 0.439147 0.195394 Bi\n0.354292 0.793438 0.304607 Bi\n0.645710 0.206563 0.695394 Bi\n0.354291 0.560853 0.804607 Bi\n0.359970 0.783756 0.884433 N\n0.186999 0.971879 0.532686 N\n0.813004 0.784881 0.967315 N\n0.813003 0.028122 0.467315 N\n0.186998 0.215120 0.032686 N\n0.640032 0.216244 0.115569 N\n0.359970 0.576213 0.384433 N\n0.640032 0.423787 0.615568 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"N"
],
"chemical_system": "Bi-Mg-N",
"density": 6.688521852595415,
"density_atomic": 0.06628474261765564,
"volume": 271.55570481472324,
"volume_molar": 9.085259325418184,
"formula_full": "Mg6 Bi4 N8",
"formula_reduced": "Mg3(BiN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.588879861111111,
"spacegroup": 15
},
{
"id": "jvasp-89850",
"created_at": "2022-09-04T14:35:45.354438Z",
"updated_at": "2022-09-04T14:35:45.354460Z",
"structure_string": "Cr2 H16 N4 O8\n1.0\n5.557236 3.177008 -2.622049\n-5.557236 3.177008 2.622049\n-0.002215 0.000000 7.691763\nCr H N O\n2 16 4 8\ndirect\n0.827214 0.172787 0.785957 Cr\n0.172786 0.827214 0.214042 Cr\n0.918384 0.343647 0.195745 H\n0.656353 0.081617 0.195745 H\n0.081617 0.656354 0.804254 H\n0.858870 0.141130 0.410330 H\n0.141130 0.858871 0.589669 H\n0.920103 0.079898 0.249483 H\n0.079897 0.920103 0.750517 H\n0.343647 0.918384 0.804254 H\n0.393178 0.341876 0.179903 H\n0.341876 0.393179 0.820096 H\n0.606822 0.658125 0.820096 H\n0.588693 0.411308 0.394358 H\n0.411307 0.588693 0.605642 H\n0.436965 0.563036 0.264761 H\n0.563036 0.436965 0.735238 H\n0.658125 0.606822 0.179903 H\n0.839492 0.160508 0.263441 N\n0.160508 0.839493 0.736558 N\n0.519116 0.480885 0.253876 N\n0.480885 0.519116 0.746124 N\n0.927615 0.644956 0.078717 O\n0.680734 0.319267 0.641064 O\n0.319266 0.680734 0.358935 O\n0.909030 0.090971 0.660717 O\n0.090970 0.909030 0.339282 O\n0.072386 0.355045 0.921283 O\n0.644956 0.927615 0.921283 O\n0.355044 0.072386 0.078717 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Cr",
"H",
"N",
"O"
],
"chemical_system": "Cr-H-N-O",
"density": 1.859732083467625,
"density_atomic": 0.1104707311616186,
"volume": 271.56514385796925,
"volume_molar": 5.451345072741134,
"formula_full": "Cr2 H16 N4 O8",
"formula_reduced": "CrH8(NO2)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.69095986,
"spacegroup": 12
},
{
"id": "jvasp-36485",
"created_at": "2022-09-04T14:37:34.604047Z",
"updated_at": "2022-09-04T14:37:34.604064Z",
"structure_string": "Ba3 Bi1 Sb1\n1.0\n6.475914 -0.000000 -0.000000\n0.000000 6.475914 -0.000000\n-0.000000 0.000000 6.475914\nBa Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Sb"
],
"chemical_system": "Ba-Bi-Sb",
"density": 4.541212418076805,
"density_atomic": 0.01841055099002756,
"volume": 271.5833981670809,
"volume_molar": 32.710269036825736,
"formula_full": "Ba3 Bi1 Sb1",
"formula_reduced": "Ba3BiSb",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.249239662,
"spacegroup": 221
},
{
"id": "jvasp-46752",
"created_at": "2022-09-04T14:38:03.817140Z",
"updated_at": "2022-09-04T14:38:03.817158Z",
"structure_string": "Li6 Mn1 Cr1 P2 C2 O14\n1.0\n0.000000 4.934712 0.075261\n6.370040 0.000000 0.000000\n0.000000 -0.776443 -8.651599\nLi Mn Cr P C O\n6 1 1 2 2 14\ndirect\n0.804086 0.500000 0.887377 Li\n0.277422 0.268142 0.735220 Li\n0.277422 0.731858 0.735220 Li\n0.718901 0.767402 0.264439 Li\n0.718901 0.232599 0.264439 Li\n0.193962 0.000000 0.104652 Li\n0.777324 0.000000 0.653932 Mn\n0.195440 0.500000 0.334253 Cr\n0.265762 0.000000 0.406880 P\n0.745714 0.500000 0.595542 P\n0.668395 0.000000 0.960574 C\n0.323096 0.500000 0.040564 C\n0.485161 0.500000 0.172043 O\n0.149225 0.811742 0.306000 O\n0.149225 0.188259 0.306000 O\n0.832452 0.500000 0.429922 O\n0.583806 0.000000 0.417244 O\n0.431460 0.500000 0.588419 O\n0.921730 0.000000 0.940904 O\n0.865508 0.688503 0.694819 O\n0.865508 0.311497 0.694819 O\n0.489226 0.000000 0.837938 O\n0.424126 0.500000 0.909039 O\n0.586571 0.000000 0.098502 O\n0.183067 0.000000 0.571662 O\n0.066514 0.500000 0.049602 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Li",
"Mn",
"Cr",
"P",
"C",
"O"
],
"chemical_system": "C-Cr-Li-Mn-O-P",
"density": 2.803634845607705,
"density_atomic": 0.09573436022287798,
"volume": 271.5848305610412,
"volume_molar": 6.290469530459,
"formula_full": "Li6 Mn1 Cr1 P2 C2 O14",
"formula_reduced": "Li6MnCrP2(CO7)2",
"formula_anonymous": "ABC2D2E6F14",
"energy_above_hull": 3.1171717169761277,
"spacegroup": 6
},
{
"id": "jvasp-64459",
"created_at": "2022-09-04T14:35:52.114405Z",
"updated_at": "2022-09-04T14:35:52.114430Z",
"structure_string": "Ba4 Cr1 Te1\n1.0\n0.000000 5.140047 5.140047\n5.140047 -0.000000 5.140047\n5.140047 5.140047 0.000000\nBa Cr Te\n4 1 1\ndirect\n0.125108 0.624964 0.624964 Ba\n0.624964 0.624964 0.624964 Ba\n0.624964 0.125108 0.624964 Ba\n0.624964 0.624964 0.125108 Ba\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Te"
],
"chemical_system": "Ba-Cr-Te",
"density": 4.456441649303755,
"density_atomic": 0.022091234424480397,
"volume": 271.6009383953258,
"volume_molar": 27.260318026079002,
"formula_full": "Ba4 Cr1 Te1",
"formula_reduced": "Ba4CrTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9401065077777776,
"spacegroup": 216
},
{
"id": "jvasp-44473",
"created_at": "2022-09-04T14:38:09.779033Z",
"updated_at": "2022-09-04T14:38:09.779060Z",
"structure_string": "Nd4 V4 O14\n1.0\n-5.140302 5.140302 -0.000000\n5.140302 -0.000000 5.140302\n5.140302 5.140302 -0.000000\nNd V O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.322893 0.250000 0.927107 O\n0.677107 0.750000 0.677107 O\n0.375000 0.750000 0.375000 O\n0.072893 0.145786 0.677107 O\n0.072893 0.750000 0.072893 O\n0.927107 0.854213 0.322893 O\n0.677107 0.750000 0.072893 O\n0.927107 0.250000 0.927107 O\n0.322893 0.250000 0.322893 O\n0.322893 0.645786 0.927107 O\n0.677107 0.354214 0.072893 O\n0.927107 0.250000 0.322893 O\n0.625000 0.250000 0.625000 O\n0.072893 0.750000 0.677107 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nd",
"V",
"O"
],
"chemical_system": "Nd-O-V",
"density": 6.141870629720882,
"density_atomic": 0.08098913857104482,
"volume": 271.64136312798644,
"volume_molar": 7.43573874997731,
"formula_full": "Nd4 V4 O14",
"formula_reduced": "Nd2V2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8963687181818183,
"spacegroup": 227
},
{
"id": "jvasp-88076",
"created_at": "2022-09-04T14:36:15.509660Z",
"updated_at": "2022-09-04T14:36:15.509696Z",
"structure_string": "K2 Ta2 B4 O12\n1.0\n3.933237 0.000000 0.000000\n0.000000 7.453993 0.000000\n0.000000 0.000000 9.265297\nK Ta B O\n2 2 4 12\ndirect\n0.529551 0.500000 0.140555 K\n0.470450 0.000000 0.640555 K\n0.198323 0.000000 0.244520 Ta\n0.801678 0.500000 0.744520 Ta\n0.014432 0.666767 0.455292 B\n0.985569 0.166767 0.955293 B\n0.014432 0.333233 0.455292 B\n0.985569 0.833232 0.955293 B\n0.959978 0.000000 0.884226 O\n0.852714 0.315588 0.584439 O\n0.830557 0.691717 0.890264 O\n0.147287 0.815588 0.084439 O\n0.147287 0.184412 0.084439 O\n0.169444 0.191717 0.390263 O\n0.671111 0.000000 0.243915 O\n0.830557 0.308282 0.890264 O\n0.852714 0.684412 0.584439 O\n0.169444 0.808282 0.390263 O\n0.328890 0.500000 0.743915 O\n0.040023 0.500000 0.384226 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Ta",
"B",
"O"
],
"chemical_system": "B-K-O-Ta",
"density": 4.128251603303306,
"density_atomic": 0.07362605890253454,
"volume": 271.64295221174075,
"volume_molar": 8.17936047340528,
"formula_full": "K2 Ta2 B4 O12",
"formula_reduced": "KTa(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.2242493366666665,
"spacegroup": 31
},
{
"id": "jvasp-58096",
"created_at": "2022-09-04T14:37:30.886849Z",
"updated_at": "2022-09-04T14:37:30.886875Z",
"structure_string": "Ca2 Ni4 S8\n1.0\n6.396420 0.000000 -3.358202\n-1.763098 6.148632 -3.358202\n-0.257527 -0.341751 7.280265\nCa Ni S\n2 4 8\ndirect\n0.375000 0.625000 0.750001 Ca\n0.625000 0.375000 0.250000 Ca\n-0.000000 0.000000 0.500000 Ni\n-0.000000 0.500000 -0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.773639 0.815550 0.547279 S\n0.768272 0.226361 0.952723 S\n0.184450 0.226361 0.952722 S\n0.226361 0.184450 0.452722 S\n0.226361 0.768273 0.452722 S\n0.231727 0.773639 0.047278 S\n0.773639 0.231727 0.547279 S\n0.815550 0.773639 0.047278 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"S"
],
"chemical_system": "Ca-Ni-S",
"density": 3.493211077137509,
"density_atomic": 0.0515377950136921,
"volume": 271.6453041167284,
"volume_molar": 11.684901844171044,
"formula_full": "Ca2 Ni4 S8",
"formula_reduced": "Ca(NiS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4107678885714288,
"spacegroup": 227
},
{
"id": "jvasp-59630",
"created_at": "2022-09-04T14:37:05.117553Z",
"updated_at": "2022-09-04T14:37:05.117577Z",
"structure_string": "Rb2 Fe1 Cu1 C6 N6\n1.0\n6.295837 0.000000 3.634903\n2.098612 5.935771 3.634903\n-0.000000 0.000000 7.269806\nRb Fe Cu C N\n2 1 1 6 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cu\n0.182579 0.817421 0.182579 C\n0.817421 0.182579 0.817421 C\n0.182579 0.817421 0.817421 C\n0.817421 0.817421 0.182578 C\n0.817421 0.182579 0.182578 C\n0.182579 0.182579 0.817421 C\n0.703095 0.703095 0.296905 N\n0.296905 0.703095 0.703095 N\n0.703095 0.296905 0.703095 N\n0.296905 0.703095 0.296905 N\n0.703095 0.296905 0.296905 N\n0.296905 0.296905 0.703095 N\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Fe",
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-Fe-N-Rb",
"density": 2.7286636591414375,
"density_atomic": 0.05889338920540941,
"volume": 271.6773514968703,
"volume_molar": 10.225495325113435,
"formula_full": "Rb2 Fe1 Cu1 C6 N6",
"formula_reduced": "Rb2FeCu(CN)6",
"formula_anonymous": "ABC2D6E6",
"energy_above_hull": 5.320863465625,
"spacegroup": 225
}
]
}