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=-formula_reduced&page=580",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=578",
"results": [
{
"id": "jvasp-101683",
"created_at": "2022-09-04T14:36:46.364503Z",
"updated_at": "2022-09-04T14:36:46.364526Z",
"structure_string": "Ti1 Mo1 O4\n1.0\n4.750553 -0.051844 0.000000\n-0.084855 4.750078 0.000000\n0.000000 0.000000 2.911374\nTi Mo O\n1 1 4\ndirect\n0.499999 0.500001 0.499999 Ti\n0.000000 0.000000 0.000000 Mo\n0.207045 0.792954 0.499999 O\n0.792953 0.207047 0.499999 O\n0.300060 0.300061 -0.000000 O\n0.699938 0.699941 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Mo",
"O"
],
"chemical_system": "Mo-O-Ti",
"density": 5.253467160633552,
"density_atomic": 0.09134673264299027,
"volume": 65.68379433394463,
"volume_molar": 6.5926175854984175,
"formula_full": "Ti1 Mo1 O4",
"formula_reduced": "TiMoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.1604163722222234,
"spacegroup": 65
},
{
"id": "jvasp-121976",
"created_at": "2022-09-04T14:38:54.258948Z",
"updated_at": "2022-09-04T14:38:54.258975Z",
"structure_string": "Ti1 Mo6 Se8\n1.0\n6.662514 0.022550 -0.087147\n-0.088589 6.661963 -0.087147\n0.022177 0.022550 6.663047\nTi Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.447169 0.772153 0.577382 Mo\n0.552831 0.227847 0.422617 Mo\n0.772153 0.577382 0.447169 Mo\n0.227847 0.422617 0.552831 Mo\n0.577382 0.447169 0.772153 Mo\n0.422617 0.552831 0.227847 Mo\n0.639586 0.876035 0.239076 Se\n0.360414 0.123965 0.760923 Se\n0.776654 0.776653 0.776654 Se\n0.223346 0.223346 0.223346 Se\n0.239077 0.639586 0.876035 Se\n0.760923 0.360413 0.123964 Se\n0.876035 0.239077 0.639586 Se\n0.123965 0.760923 0.360413 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ti",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Ti",
"density": 7.0467105680157,
"density_atomic": 0.05071310045861913,
"volume": 295.78156066872106,
"volume_molar": 11.874921283730119,
"formula_full": "Ti1 Mo6 Se8",
"formula_reduced": "Ti(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.178661377777778,
"spacegroup": 148
},
{
"id": "jvasp-79461",
"created_at": "2022-09-04T14:37:17.784564Z",
"updated_at": "2022-09-04T14:37:17.784574Z",
"structure_string": "Ti1 Mo3\n1.0\n0.000000 -3.165181 0.000000\n-4.438049 0.000000 0.000000\n2.219024 1.582590 -4.482257\nTi Mo\n1 3\ndirect\n0.000000 0.500000 0.000000 Ti\n0.244295 0.244296 0.488590 Mo\n0.755705 0.755706 0.511410 Mo\n0.500000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Mo"
],
"chemical_system": "Mo-Ti",
"density": 8.853117395998657,
"density_atomic": 0.06352908410743699,
"volume": 62.96328770040843,
"volume_molar": 9.479344531105907,
"formula_full": "Ti1 Mo3",
"formula_reduced": "TiMo3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.402509008333333,
"spacegroup": 71
},
{
"id": "jvasp-102293",
"created_at": "2022-09-04T14:36:40.157536Z",
"updated_at": "2022-09-04T14:36:40.157559Z",
"structure_string": "Ti1 Mo2 W1\n1.0\n3.869544 0.000000 2.234082\n1.289848 3.648241 2.234082\n-0.000000 -0.000000 4.468164\nTi Mo W\n1 2 1\ndirect\n0.500000 0.500000 0.499999 Ti\n0.250000 0.250000 0.250000 Mo\n0.750000 0.750000 0.749999 Mo\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mo",
"W"
],
"chemical_system": "Mo-Ti-W",
"density": 11.151140974605742,
"density_atomic": 0.0634143546491146,
"volume": 63.07720108692849,
"volume_molar": 9.496494592307709,
"formula_full": "Ti1 Mo2 W1",
"formula_reduced": "TiMo2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.909970033333334,
"spacegroup": 225
},
{
"id": "jvasp-75723",
"created_at": "2022-09-04T14:36:13.743822Z",
"updated_at": "2022-09-04T14:36:13.743845Z",
"structure_string": "Ti1 Mo2 As1\n1.0\n0.000000 3.140867 3.140867\n3.140867 -0.000000 3.140867\n3.140867 3.140867 -0.000000\nTi Mo As\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Ti\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Mo\n0.500001 0.500001 0.500001 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mo",
"As"
],
"chemical_system": "As-Mo-Ti",
"density": 8.431869375533491,
"density_atomic": 0.06454778680420448,
"volume": 61.969591802324196,
"volume_molar": 9.329740116833461,
"formula_full": "Ti1 Mo2 As1",
"formula_reduced": "TiMo2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5216704708333335,
"spacegroup": 216
},
{
"id": "jvasp-105364",
"created_at": "2022-09-04T14:36:55.546496Z",
"updated_at": "2022-09-04T14:36:55.546527Z",
"structure_string": "Ti1 Mo2\n1.0\n6.733757 0.004000 1.880469\n6.236423 2.544938 0.891214\n-0.001942 0.009923 2.771683\nTi Mo\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.332099 0.332098 0.667900 Mo\n0.667901 0.667902 0.332098 Mo\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Mo"
],
"chemical_system": "Mo-Ti",
"density": 8.382080246001566,
"density_atomic": 0.06316416946257639,
"volume": 47.49528135215085,
"volume_molar": 9.534108991281851,
"formula_full": "Ti1 Mo2",
"formula_reduced": "TiMo2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.647473377777777,
"spacegroup": 69
},
{
"id": "jvasp-37029",
"created_at": "2022-09-04T14:38:05.901646Z",
"updated_at": "2022-09-04T14:38:05.901672Z",
"structure_string": "Ti2 Mo2\n1.0\n0.000000 -2.656043 -0.000000\n-5.224700 0.000000 0.000000\n2.612350 1.328021 -4.963034\nTi Mo\n2 2\ndirect\n0.631237 0.881237 0.762476 Ti\n0.368762 0.118762 0.237523 Ti\n0.626735 0.376736 0.753472 Mo\n0.373264 0.623264 0.246527 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Mo"
],
"chemical_system": "Mo-Ti",
"density": 6.934504094008314,
"density_atomic": 0.05807861893975382,
"volume": 68.87216109854961,
"volume_molar": 10.36894621452155,
"formula_full": "Ti2 Mo2",
"formula_reduced": "TiMo",
"formula_anonymous": "AB",
"energy_above_hull": 3.593202116666667,
"spacegroup": 74
},
{
"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-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-111728",
"created_at": "2022-09-04T14:38:52.179970Z",
"updated_at": "2022-09-04T14:38:52.179979Z",
"structure_string": "Ti3 Mn3 Sn12\n1.0\n5.637991 0.000000 0.000000\n-2.818995 4.882644 -0.000000\n0.000000 0.000000 14.137960\nTi Mn Sn\n3 3 12\ndirect\n0.500000 -0.000000 0.500000 Ti\n0.000000 0.500000 0.166667 Ti\n0.500000 0.500000 0.833333 Ti\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.166667 Mn\n0.000000 0.000000 0.833333 Mn\n0.500000 0.500000 0.217586 Sn\n0.000000 0.500000 0.782414 Sn\n0.000000 0.500000 0.550919 Sn\n0.500000 -0.000000 0.884252 Sn\n0.832989 0.167011 0.333333 Sn\n0.832989 0.665977 0.000000 Sn\n0.334022 0.167011 0.666667 Sn\n0.500000 -0.000000 0.115748 Sn\n0.665978 0.832988 0.666667 Sn\n0.167011 0.334022 0.000000 Sn\n0.167012 0.832988 0.333333 Sn\n0.500000 0.500000 0.449081 Sn\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Ti",
"density": 7.393757750380937,
"density_atomic": 0.046249422878912365,
"volume": 389.1940456668311,
"volume_molar": 13.021007366441808,
"formula_full": "Ti3 Mn3 Sn12",
"formula_reduced": "TiMnSn4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7853837291187742,
"spacegroup": 180
},
{
"id": "jvasp-97804",
"created_at": "2022-09-04T14:38:08.186446Z",
"updated_at": "2022-09-04T14:38:08.186473Z",
"structure_string": "Ti12 Mn12 Si24\n1.0\n7.695616 0.000000 0.000000\n0.000000 8.684696 -0.000000\n0.000000 0.000000 9.495653\nTi Mn Si\n12 12 24\ndirect\n0.239634 0.828146 0.453141 Ti\n0.239634 0.171855 0.546859 Ti\n0.760366 0.328146 0.046859 Ti\n0.760366 0.671855 0.953140 Ti\n0.760366 0.171855 0.546859 Ti\n0.760366 0.828146 0.453141 Ti\n0.239634 0.671855 0.953140 Ti\n0.239634 0.328146 0.046859 Ti\n0.000000 0.331107 0.320638 Ti\n0.000000 0.668893 0.679362 Ti\n0.000000 0.831107 0.179362 Ti\n0.000000 0.168893 0.820638 Ti\n0.243692 0.500000 0.500000 Mn\n0.248167 0.584415 0.246861 Mn\n0.248167 0.415586 0.753139 Mn\n0.751833 0.084415 0.253139 Mn\n0.751833 0.915586 0.746861 Mn\n0.751833 0.415586 0.753139 Mn\n0.751833 0.584415 0.246861 Mn\n0.248167 0.915586 0.746861 Mn\n0.243692 0.000000 0.000000 Mn\n0.756309 0.500000 0.500000 Mn\n0.248167 0.084415 0.253139 Mn\n0.756309 0.000000 0.000000 Mn\n0.500000 0.037001 0.377065 Si\n0.654969 0.331777 0.317725 Si\n0.000000 0.462269 0.879224 Si\n0.000000 0.537731 0.120776 Si\n0.000000 0.962270 0.620776 Si\n0.000000 0.037731 0.379224 Si\n0.000000 0.370433 0.602715 Si\n0.000000 0.629567 0.397285 Si\n0.000000 0.870434 0.897285 Si\n0.500000 0.374357 0.595715 Si\n0.500000 0.625644 0.404285 Si\n0.345031 0.168223 0.817724 Si\n0.500000 0.874357 0.904285 Si\n0.500000 0.462999 0.877065 Si\n0.500000 0.537001 0.122935 Si\n0.500000 0.962999 0.622935 Si\n0.000000 0.129567 0.102715 Si\n0.345031 0.331777 0.317725 Si\n0.654969 0.831778 0.182275 Si\n0.345031 0.831778 0.182275 Si\n0.654969 0.168223 0.817724 Si\n0.654969 0.668223 0.682275 Si\n0.500000 0.125643 0.095715 Si\n0.345031 0.668223 0.682275 Si\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ti",
"density": 4.991593221353005,
"density_atomic": 0.07563423031699588,
"volume": 634.6332844113552,
"volume_molar": 7.962189520221448,
"formula_full": "Ti12 Mn12 Si24",
"formula_reduced": "TiMnSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4386831936781608,
"spacegroup": 55
},
{
"id": "jvasp-99914",
"created_at": "2022-09-04T14:36:33.254612Z",
"updated_at": "2022-09-04T14:36:33.254633Z",
"structure_string": "Ti2 Mn2 Sb2\n1.0\n4.552322 -0.000000 0.000000\n-2.276161 3.942428 -0.000000\n0.000000 0.000000 5.588674\nTi Mn Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.749999 Mn\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.749999 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Ti",
"density": 7.4355950306736975,
"density_atomic": 0.05981990642116351,
"volume": 100.30105961311362,
"volume_molar": 10.067118322788689,
"formula_full": "Ti2 Mn2 Sb2",
"formula_reduced": "TiMnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.820760558237548,
"spacegroup": 194
}
]
}