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=elements&page=4504",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4502",
"results": [
{
"id": "jvasp-43339",
"created_at": "2022-09-04T14:36:13.550819Z",
"updated_at": "2022-09-04T14:36:13.550844Z",
"structure_string": "Ti2 Mn2 P4 O16\n1.0\n0.000000 4.919300 -0.021766\n5.914568 0.000000 0.000000\n0.000000 -0.093375 -9.950356\nTi Mn P O\n2 2 4 16\ndirect\n0.554199 0.250000 0.224263 Ti\n0.445802 0.750000 0.775738 Ti\n0.058070 0.750000 0.274031 Mn\n0.941931 0.250000 0.725970 Mn\n0.581779 0.750000 0.090575 P\n0.132791 0.250000 0.403553 P\n0.867210 0.750000 0.596448 P\n0.418222 0.250000 0.909426 P\n0.279903 0.042023 0.837224 O\n0.279903 0.457978 0.837224 O\n0.712009 0.550604 0.668187 O\n0.712009 0.949397 0.668187 O\n0.167753 0.750000 0.641469 O\n0.157565 0.250000 0.553914 O\n0.842436 0.750000 0.446086 O\n0.720098 0.542023 0.162777 O\n0.287992 0.449397 0.331814 O\n0.287992 0.050603 0.331814 O\n0.723278 0.250000 0.894517 O\n0.720098 0.957978 0.162777 O\n0.276723 0.750000 0.105484 O\n0.342177 0.250000 0.060487 O\n0.832248 0.250000 0.358532 O\n0.657824 0.750000 0.939514 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Ti",
"density": 3.358069640617636,
"density_atomic": 0.08289498417186807,
"volume": 289.52294568559483,
"volume_molar": 7.264783050702028,
"formula_full": "Ti2 Mn2 P4 O16",
"formula_reduced": "TiMn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.1847995478927205,
"spacegroup": 11
},
{
"id": "jvasp-44409",
"created_at": "2022-09-04T14:37:52.746394Z",
"updated_at": "2022-09-04T14:37:52.746413Z",
"structure_string": "Ti1 Mn3 P4 O16\n1.0\n0.000000 4.861464 -0.005624\n5.923740 0.000000 0.000000\n0.000000 -0.032490 -9.809450\nTi Mn P O\n1 3 4 16\ndirect\n0.943669 0.500000 0.275787 Ti\n0.077032 0.000000 0.718210 Mn\n0.431475 0.000000 0.220246 Mn\n0.580793 0.500000 0.780178 Mn\n0.107876 0.500000 0.596963 P\n0.370912 0.500000 0.091072 P\n0.608533 0.000000 0.903474 P\n0.910979 0.000000 0.409429 P\n0.771926 0.791906 0.334462 O\n0.796258 0.500000 0.618726 O\n0.675019 0.500000 0.132977 O\n0.754854 0.204856 0.833763 O\n0.754854 0.795144 0.833763 O\n0.655378 0.000000 0.057788 O\n0.338553 0.500000 0.937927 O\n0.220679 0.000000 0.387852 O\n0.215467 0.300939 0.164567 O\n0.295773 0.000000 0.877301 O\n0.771926 0.208094 0.334462 O\n0.255238 0.705193 0.663095 O\n0.255238 0.294807 0.663095 O\n0.151990 0.500000 0.439193 O\n0.215467 0.699061 0.164567 O\n0.840098 0.000000 0.561098 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Ti",
"density": 3.483187629275651,
"density_atomic": 0.08495752601386614,
"volume": 282.49410177131216,
"volume_molar": 7.088413519735863,
"formula_full": "Ti1 Mn3 P4 O16",
"formula_reduced": "TiMn3(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 3.468094919061303,
"spacegroup": 6
},
{
"id": "jvasp-116838",
"created_at": "2022-09-04T14:38:46.070123Z",
"updated_at": "2022-09-04T14:38:46.070153Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.464102 0.043994 1.753722\n0.265945 6.458778 1.753722\n0.007665 0.007406 5.591682\nTi Mn V O\n1 1 4 12\ndirect\n0.086290 0.913710 0.499999 Ti\n0.915645 0.084354 -0.000000 Mn\n0.803102 0.604437 0.009932 V\n0.610818 0.801119 0.509490 V\n0.395563 0.196898 -0.009933 V\n0.198881 0.389183 0.490509 V\n0.182403 0.028003 0.108469 O\n0.383575 0.332777 0.675712 O\n0.365101 0.922332 0.497290 O\n0.333970 0.387101 0.176479 O\n0.667223 0.616425 0.324287 O\n0.817599 0.971089 0.373461 O\n0.612899 0.666030 0.823520 O\n0.077669 0.634900 0.502709 O\n0.905761 0.357405 0.025148 O\n0.971997 0.817597 0.891530 O\n0.642594 0.094240 0.974852 O\n0.028910 0.182402 0.626538 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Ti-V",
"density": 3.5497759819491352,
"density_atomic": 0.07717978656650158,
"volume": 233.221686671683,
"volume_molar": 7.8027434745638375,
"formula_full": "Ti1 Mn1 V4 O12",
"formula_reduced": "TiMnV4O12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.665244687484035,
"spacegroup": 5
},
{
"id": "jvasp-42437",
"created_at": "2022-09-04T14:37:29.529228Z",
"updated_at": "2022-09-04T14:37:29.529265Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.706343 -0.028169 -0.047890\n-0.742167 6.665209 0.047890\n-1.443402 1.297068 5.266675\nTi Mn V O\n1 1 4 12\ndirect\n0.913830 0.913831 0.250000 Ti\n0.084817 0.084817 0.750001 Mn\n0.197511 0.604811 0.762741 V\n0.389040 0.801124 0.261216 V\n0.604811 0.197510 0.737260 V\n0.801123 0.389041 0.238785 V\n0.817173 0.027701 0.859604 O\n0.616018 0.331365 0.421947 O\n0.634168 0.920402 0.248037 O\n0.668861 0.386302 0.925137 O\n0.331365 0.616018 0.078054 O\n0.182037 0.969899 0.122821 O\n0.386302 0.668861 0.574864 O\n0.920402 0.634168 0.251964 O\n0.097485 0.357455 0.774121 O\n0.027702 0.817173 0.640397 O\n0.357455 0.097485 0.725880 O\n0.969899 0.182037 0.377180 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-Ti-V",
"density": 3.5307764629566396,
"density_atomic": 0.07676669604243369,
"volume": 234.47667970561466,
"volume_molar": 7.844730945136926,
"formula_full": "Ti1 Mn1 V4 O12",
"formula_reduced": "TiMnV4O12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.665903020817368,
"spacegroup": 5
},
{
"id": "jvasp-101090",
"created_at": "2022-09-04T14:36:45.753031Z",
"updated_at": "2022-09-04T14:36:45.753041Z",
"structure_string": "Ti2 Nb2 Al2 C2\n1.0\n3.102280 0.000000 0.000000\n-1.551140 2.686654 0.000000\n-0.000000 -0.000000 13.830923\nTi Nb Al C\n2 2 2 2\ndirect\n0.666666 0.333333 0.917477 Ti\n0.333333 0.666666 0.082523 Ti\n0.333333 0.666666 0.408632 Nb\n0.666666 0.333333 0.591368 Nb\n0.333333 0.666666 0.754869 Al\n0.666666 0.333333 0.245131 Al\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Al",
"C"
],
"chemical_system": "Al-C-Nb-Ti",
"density": 5.178951341169659,
"density_atomic": 0.06939786199248782,
"volume": 115.27732656758192,
"volume_molar": 8.677703587830825,
"formula_full": "Ti2 Nb2 Al2 C2",
"formula_reduced": "TiNbAlC",
"formula_anonymous": "ABCD",
"energy_above_hull": 4.093230133333333,
"spacegroup": 164
},
{
"id": "jvasp-109135",
"created_at": "2022-09-04T14:37:57.887287Z",
"updated_at": "2022-09-04T14:37:57.887313Z",
"structure_string": "Ti1 Nb3 Al2 C2\n1.0\n3.113150 0.000000 0.000000\n-1.556575 2.696067 0.000000\n-0.000000 -0.000000 13.896161\nTi Nb Al C\n1 3 2 2\ndirect\n0.666666 0.333334 0.413749 Ti\n0.333333 0.666668 0.587660 Nb\n0.333333 0.666668 0.910054 Nb\n0.666666 0.333334 0.091410 Nb\n0.666666 0.333334 0.749047 Al\n0.333333 0.666668 0.252843 Al\n0.000000 0.000000 0.494382 C\n0.000000 0.000000 0.000855 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Al",
"C"
],
"chemical_system": "Al-C-Nb-Ti",
"density": 5.759938826047854,
"density_atomic": 0.06859057166633302,
"volume": 116.63410590768875,
"volume_molar": 8.779837539910615,
"formula_full": "Ti1 Nb3 Al2 C2",
"formula_reduced": "TiNb3(AlC)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 5.130760266666666,
"spacegroup": 156
},
{
"id": "jvasp-111336",
"created_at": "2022-09-04T14:38:47.108021Z",
"updated_at": "2022-09-04T14:38:47.108032Z",
"structure_string": "Ti3 Nb1 Al2 C2\n1.0\n3.077924 -0.000000 0.000000\n-1.538962 2.665560 0.000000\n0.000000 0.000000 13.792204\nTi Nb Al C\n3 1 2 2\ndirect\n0.333333 0.666667 0.587307 Ti\n0.333333 0.666667 0.915955 Ti\n0.666666 0.333333 0.082828 Ti\n0.666666 0.333333 0.410891 Nb\n0.666666 0.333333 0.751986 Al\n0.333333 0.666667 0.246045 Al\n0.000000 0.000000 0.505855 C\n0.000000 0.000000 0.999134 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Al",
"C"
],
"chemical_system": "Al-C-Nb-Ti",
"density": 4.61507194627828,
"density_atomic": 0.07069846102869334,
"volume": 113.15663571167636,
"volume_molar": 8.518064852296973,
"formula_full": "Ti3 Nb1 Al2 C2",
"formula_reduced": "Ti3Nb(AlC)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 4.63169,
"spacegroup": 156
},
{
"id": "jvasp-50612",
"created_at": "2022-09-04T14:36:46.020249Z",
"updated_at": "2022-09-04T14:36:46.020278Z",
"structure_string": "Ti3 Nb1 Cu3 O12\n1.0\n-3.749835 3.722271 3.722271\n3.722271 -3.749835 3.722271\n3.722271 3.722271 -3.749835\nTi Nb Cu O\n3 1 3 12\ndirect\n0.500000 -0.000000 -0.000000 Ti\n-0.000000 0.500000 -0.000000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.499999 0.499999 0.499999 Nb\n0.500000 0.500000 -0.000001 Cu\n0.500000 -0.000001 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n0.133996 0.820278 0.313578 O\n0.688019 0.508631 0.825382 O\n0.313578 0.133996 0.820278 O\n0.174616 0.311980 0.491368 O\n0.825382 0.688019 0.508631 O\n0.866002 0.179720 0.686420 O\n0.686420 0.866002 0.179720 O\n0.508631 0.825382 0.688019 O\n0.491368 0.174616 0.311980 O\n0.820278 0.313578 0.133996 O\n0.311980 0.491368 0.174616 O\n0.179720 0.686420 0.866002 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Nb-O-Ti",
"density": 4.9839150570176,
"density_atomic": 0.09210592090649224,
"volume": 206.28424115415098,
"volume_molar": 6.538277562105695,
"formula_full": "Ti3 Nb1 Cu3 O12",
"formula_reduced": "Ti3Nb(CuO4)3",
"formula_anonymous": "AB3C3D12",
"energy_above_hull": 2.84551725,
"spacegroup": 148
},
{
"id": "jvasp-119130",
"created_at": "2022-09-04T14:38:48.674502Z",
"updated_at": "2022-09-04T14:38:48.674518Z",
"structure_string": "Ti2 Nb2 Ga2 O12\n1.0\n4.674016 -0.000000 0.000000\n0.000000 4.674016 0.000000\n-0.000000 -0.000000 9.079525\nTi Nb Ga O\n2 2 2 12\ndirect\n0.500000 0.500000 0.499702 Ti\n0.000000 0.000000 0.999702 Ti\n0.500000 0.500000 0.833398 Nb\n0.000000 0.000000 0.333397 Nb\n0.500000 0.500000 0.167536 Ga\n0.000000 0.000000 0.667537 Ga\n0.700157 0.700157 0.000132 O\n0.304029 0.304029 0.664220 O\n0.306177 0.306177 0.335331 O\n0.299844 0.299844 0.000132 O\n0.806177 0.193823 0.835331 O\n0.193823 0.806177 0.835331 O\n0.804030 0.195971 0.164219 O\n0.693824 0.693824 0.335331 O\n0.200156 0.799845 0.500133 O\n0.195971 0.804030 0.164219 O\n0.799845 0.200156 0.500133 O\n0.695972 0.695972 0.664220 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Ga",
"O"
],
"chemical_system": "Ga-Nb-O-Ti",
"density": 5.131635764695828,
"density_atomic": 0.0907463125991264,
"volume": 198.35516710761956,
"volume_molar": 6.636237426641151,
"formula_full": "Ti2 Nb2 Ga2 O12",
"formula_reduced": "TiNbGaO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.7709890064814813,
"spacegroup": 102
},
{
"id": "jvasp-112623",
"created_at": "2022-09-04T14:38:41.872978Z",
"updated_at": "2022-09-04T14:38:41.872993Z",
"structure_string": "Ti1 Nb6 Tl2 O18\n1.0\n7.662107 -0.003401 0.009056\n3.833983 6.633889 0.009056\n-0.009861 -0.005687 8.299046\nTi Nb Tl O\n1 6 2 18\ndirect\n0.997173 0.002827 0.500001 Ti\n0.332308 0.835253 0.847313 Nb\n0.829631 0.337928 0.847307 Nb\n0.829627 0.835251 0.847306 Nb\n0.662072 0.170370 0.152694 Nb\n0.164747 0.667692 0.152689 Nb\n0.164748 0.170373 0.152695 Nb\n0.330509 0.336071 0.713494 Tl\n0.663929 0.669491 0.286508 Tl\n0.756572 0.123113 0.363814 O\n0.283759 0.859529 0.102180 O\n0.140482 0.146124 0.897808 O\n0.140471 0.716241 0.897822 O\n0.710622 0.146099 0.897804 O\n0.117492 0.123087 0.363802 O\n0.117465 0.762260 0.363786 O\n0.876913 0.882508 0.636200 O\n0.446616 0.103949 0.160765 O\n0.237740 0.882535 0.636216 O\n0.446611 0.452243 0.160790 O\n0.853900 0.289378 0.102197 O\n0.098298 0.452255 0.160851 O\n0.547758 0.553389 0.839211 O\n0.547745 0.901702 0.839151 O\n0.896051 0.553384 0.839236 O\n0.876888 0.243428 0.636188 O\n0.853875 0.859518 0.102193 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Tl",
"O"
],
"chemical_system": "Nb-O-Ti-Tl",
"density": 5.124171555436101,
"density_atomic": 0.06398924270810599,
"volume": 421.9459218038176,
"volume_molar": 9.41117679337238,
"formula_full": "Ti1 Nb6 Tl2 O18",
"formula_reduced": "TiNb6Tl2O18",
"formula_anonymous": "AB2C6D18",
"energy_above_hull": 3.6489793679012346,
"spacegroup": 164
},
{
"id": "jvasp-117192",
"created_at": "2022-09-04T14:38:46.612152Z",
"updated_at": "2022-09-04T14:38:46.612171Z",
"structure_string": "Ti1 Nb2 Zn1 O8\n1.0\n5.756664 0.000000 0.000000\n0.000000 4.740111 0.128196\n-0.000000 0.006453 5.009123\nTi Nb Zn O\n1 2 1 8\ndirect\n0.170620 0.500000 0.500000 Ti\n0.808604 0.500000 0.000000 Nb\n0.314510 0.000000 -0.000000 Nb\n0.700520 -0.000000 0.500000 Zn\n0.901034 0.289206 0.684287 O\n0.608821 0.224690 0.161152 O\n0.608821 0.775309 0.838848 O\n0.901034 0.710794 0.315713 O\n0.117548 0.736078 0.818381 O\n0.375466 0.754509 0.320835 O\n0.375466 0.245490 0.679165 O\n0.117548 0.263921 0.181619 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Zn",
"O"
],
"chemical_system": "Nb-O-Ti-Zn",
"density": 5.188674180783389,
"density_atomic": 0.08779611283529411,
"volume": 136.6803109211914,
"volume_molar": 6.859233929066499,
"formula_full": "Ti1 Nb2 Zn1 O8",
"formula_reduced": "TiNb2ZnO8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0836946277777777,
"spacegroup": 3
},
{
"id": "jvasp-112342",
"created_at": "2022-09-04T14:38:26.358233Z",
"updated_at": "2022-09-04T14:38:26.358260Z",
"structure_string": "Ti1 Ni4 Ge1 O8\n1.0\n5.092991 -0.000000 2.940440\n1.697664 4.801718 2.940440\n-0.000000 -0.000000 5.880880\nTi Ni Ge O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.625942 0.625943 0.122173 Ni\n0.625942 0.122173 0.625943 Ni\n0.122173 0.625943 0.625943 Ni\n0.625942 0.625943 0.625943 Ni\n0.250000 0.250000 0.250000 Ge\n0.871341 0.871342 0.385974 O\n0.871341 0.385974 0.871342 O\n0.385973 0.871342 0.871342 O\n0.871341 0.871342 0.871342 O\n0.376288 0.376288 0.871135 O\n0.376287 0.871135 0.376288 O\n0.871134 0.376288 0.376288 O\n0.376288 0.376288 0.376288 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ti",
"Ni",
"Ge",
"O"
],
"chemical_system": "Ge-Ni-O-Ti",
"density": 5.5799751995413285,
"density_atomic": 0.0973455623906337,
"volume": 143.81754705797496,
"volume_molar": 6.1863536581503515,
"formula_full": "Ti1 Ni4 Ge1 O8",
"formula_reduced": "TiNi4GeO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.368947277380953,
"spacegroup": 216
}
]
}