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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=629",
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"results": [
{
"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": [
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"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",
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"spacegroup": 69
},
{
"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": [
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"Mo",
"O"
],
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"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-30351",
"created_at": "2022-09-04T14:36:40.249643Z",
"updated_at": "2022-09-04T14:36:40.249661Z",
"structure_string": "Ti1 Mn5 O12\n1.0\n2.423885 4.210393 0.459609\n-2.454592 4.215986 0.229804\n0.416125 0.722827 9.105253\nTi Mn O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.145070 0.709862 0.499999 Mn\n0.666729 0.666542 -0.000000 Mn\n0.333271 0.333459 -0.000000 Mn\n0.854929 0.290140 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.038058 0.351983 0.889888 O\n0.313927 0.000000 0.110266 O\n0.609959 0.351983 0.110112 O\n0.801921 0.658926 0.601340 O\n0.125768 0.000001 0.625942 O\n0.198078 0.341076 0.398659 O\n0.539154 0.658925 0.398659 O\n0.686071 0.000002 0.889734 O\n0.390040 0.648019 0.889888 O\n-0.038058 0.648018 0.110111 O\n0.460845 0.341077 0.601340 O\n0.874230 0.000001 0.374058 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.60544022817352,
"density_atomic": 0.09702126977010933,
"volume": 185.52632884161144,
"volume_molar": 6.207031483167955,
"formula_full": "Ti1 Mn5 O12",
"formula_reduced": "TiMn5O12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.673375363346104,
"spacegroup": 12
},
{
"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-112831",
"created_at": "2022-09-04T14:38:43.655941Z",
"updated_at": "2022-09-04T14:38:43.655965Z",
"structure_string": "Ti1 Mn3 O8\n1.0\n4.872974 -0.127417 2.701160\n1.532426 4.627503 2.701160\n-0.181365 -0.127417 5.568594\nTi Mn O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.499999 0.000000 Mn\n0.499999 -0.000001 0.500000 Mn\n0.000000 0.499999 0.500000 Mn\n0.738175 0.738174 0.738175 O\n0.242735 0.242735 0.730236 O\n0.242736 0.730235 0.242735 O\n0.261825 0.261825 0.261825 O\n0.730235 0.242735 0.242736 O\n0.757265 0.757264 0.269765 O\n0.757264 0.269763 0.757265 O\n0.269764 0.757263 0.757265 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.347020152483428,
"density_atomic": 0.092210809725396,
"volume": 130.1365863257901,
"volume_molar": 6.5308403406649935,
"formula_full": "Ti1 Mn3 O8",
"formula_reduced": "TiMn3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.4700548381226053,
"spacegroup": 166
},
{
"id": "jvasp-79988",
"created_at": "2022-09-04T14:36:53.040332Z",
"updated_at": "2022-09-04T14:36:53.040361Z",
"structure_string": "Ti1 Mn2 W1\n1.0\n-0.000000 2.973901 2.973901\n2.973901 0.000000 2.973901\n2.973901 2.973901 -0.000000\nTi Mn W\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Ti\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500001 Mn\n0.750000 0.750000 0.750000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"W"
],
"chemical_system": "Mn-Ti-W",
"density": 10.782909094350424,
"density_atomic": 0.07604146492252054,
"volume": 52.60287928534311,
"volume_molar": 7.9195485859406105,
"formula_full": "Ti1 Mn2 W1",
"formula_reduced": "TiMn2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.978115704022988,
"spacegroup": 225
},
{
"id": "jvasp-39672",
"created_at": "2022-09-04T14:37:46.499249Z",
"updated_at": "2022-09-04T14:37:46.499273Z",
"structure_string": "Ti1 Mn2 V1\n1.0\n0.000008 2.914735 2.914737\n2.914734 0.000007 2.914738\n2.914732 2.914734 0.000009\nTi Mn V\n1 2 1\ndirect\n0.250002 0.250001 0.250000 Ti\n0.000003 0.999998 0.000000 Mn\n0.500000 0.500001 0.499999 Mn\n0.750003 0.750001 0.749999 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"V"
],
"chemical_system": "Mn-Ti-V",
"density": 6.997034934991712,
"density_atomic": 0.08076711231187551,
"volume": 49.52510849409016,
"volume_molar": 7.4561793626420645,
"formula_full": "Ti1 Mn2 V1",
"formula_reduced": "TiMn2V",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.086419254022989,
"spacegroup": 225
},
{
"id": "jvasp-39655",
"created_at": "2022-09-04T14:37:42.298210Z",
"updated_at": "2022-09-04T14:37:42.298229Z",
"structure_string": "Ti1 Mn2 Si1\n1.0\n0.000000 2.891954 2.891954\n2.891954 -0.000000 2.891954\n2.891954 2.891954 0.000000\nTi Mn Si\n1 2 1\ndirect\n0.749998 0.749998 0.749998 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ti",
"density": 6.379071813636646,
"density_atomic": 0.08269054485780472,
"volume": 48.373124241452636,
"volume_molar": 7.2827440795749006,
"formula_full": "Ti1 Mn2 Si1",
"formula_reduced": "TiMn2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.736800354022988,
"spacegroup": 225
},
{
"id": "jvasp-30375",
"created_at": "2022-09-04T14:37:19.054831Z",
"updated_at": "2022-09-04T14:37:19.054862Z",
"structure_string": "Ti1 Mn2 O6\n1.0\n14.325244 -0.286696 -0.175357\n8.717386 2.607592 -0.120031\n8.717386 1.080864 2.376063\nTi Mn O\n1 2 6\ndirect\n0.666668 -0.000001 -0.000001 Ti\n0.995252 0.003553 0.003552 Mn\n0.338085 0.996445 0.996445 Mn\n0.230030 0.273967 0.273967 O\n0.580644 0.261611 0.261611 O\n0.103305 0.726031 0.726032 O\n0.923985 0.253051 0.253050 O\n0.409352 0.746947 0.746947 O\n0.752693 0.738386 0.738386 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.2479759271079995,
"density_atomic": 0.09073762262341896,
"volume": 99.18708182769979,
"volume_molar": 6.636872981556068,
"formula_full": "Ti1 Mn2 O6",
"formula_reduced": "TiMn2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2773937573435505,
"spacegroup": 12
},
{
"id": "jvasp-40131",
"created_at": "2022-09-04T14:37:44.569139Z",
"updated_at": "2022-09-04T14:37:44.569156Z",
"structure_string": "Ti1 Mn2 Ge1\n1.0\n4.148797 -0.000085 -0.001105\n-2.074371 3.593157 0.000864\n-2.073664 -1.198175 3.387930\nTi Mn Ge\n1 2 1\ndirect\n0.500000 -0.000000 0.499999 Ti\n0.999995 0.749988 0.749996 Mn\n0.000005 0.250012 0.250001 Mn\n0.499999 0.499999 -0.000001 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mn",
"Ge"
],
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"density": 7.5758176432248066,
"density_atomic": 0.07921178630837439,
"volume": 50.49753561203447,
"volume_molar": 7.602581687219608,
"formula_full": "Ti1 Mn2 Ge1",
"formula_reduced": "TiMn2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.194082191522989,
"spacegroup": 225
},
{
"id": "jvasp-80008",
"created_at": "2022-09-04T14:36:47.415285Z",
"updated_at": "2022-09-04T14:36:47.415306Z",
"structure_string": "Ti1 Mn2 Ga1\n1.0\n0.000082 2.963609 2.963480\n2.963850 0.000101 2.963462\n2.963728 2.963467 0.000225\nTi Mn Ga\n1 2 1\ndirect\n0.749997 0.750001 0.750004 Ti\n0.500000 0.500015 0.499973 Mn\n0.000004 0.999982 0.000023 Mn\n0.249998 0.250002 0.250003 Ga\n",
"nsites": 4,
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"elements": [
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"Mn",
"Ga"
],
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"density": 7.256165795130745,
"density_atomic": 0.07684248990480409,
"volume": 52.05453395582807,
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"formula_full": "Ti1 Mn2 Ga1",
"formula_reduced": "TiMn2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9001437852729888,
"spacegroup": 225
},
{
"id": "jvasp-85029",
"created_at": "2022-09-04T14:36:31.675589Z",
"updated_at": "2022-09-04T14:36:31.675616Z",
"structure_string": "Ti1 Mn2 Cr1\n1.0\n-8.645423 0.000000 -4.991438\n-8.668261 -0.005469 5.030993\n-5.768650 8.195869 0.008721\nTi Mn Cr\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.772332 -0.000000 -0.000000 Mn\n0.227669 -0.000000 -0.000000 Mn\n0.500000 -0.000000 -0.000000 Cr\n",
"nsites": 4,
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"Cr"
],
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"density": 0.4896738966313389,
"density_atomic": 0.005623908689703025,
"volume": 711.2491010609248,
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"formula_full": "Ti1 Mn2 Cr1",
"formula_reduced": "TiMn2Cr",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.093190054022989,
"spacegroup": 71
}
]
}