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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3594",
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"results": [
{
"id": "jvasp-51093",
"created_at": "2022-09-04T14:38:26.778340Z",
"updated_at": "2022-09-04T14:38:26.778362Z",
"structure_string": "K1 Mn1 Ru1\n1.0\n0.000000 3.227972 3.227972\n3.227972 0.000000 3.227972\n3.227972 3.227972 0.000000\nK Mn Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Mn",
"Ru"
],
"chemical_system": "K-Mn-Ru",
"density": 4.816163458198728,
"density_atomic": 0.04459662387473479,
"volume": 67.26966616187245,
"volume_molar": 13.503579950166829,
"formula_full": "K1 Mn1 Ru1",
"formula_reduced": "KMnRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.807795247126437,
"spacegroup": 216
},
{
"id": "jvasp-10273",
"created_at": "2022-09-04T14:38:06.139499Z",
"updated_at": "2022-09-04T14:38:06.139525Z",
"structure_string": "K4 Mn2 S4\n1.0\n5.728395 0.000000 -2.455901\n-1.292526 5.979332 -3.014821\n-0.040034 0.042474 7.815321\nK Mn S\n4 2 4\ndirect\n0.352510 0.193983 0.705018 K\n0.147491 0.488964 0.294982 K\n0.647491 0.806017 0.294982 K\n0.852510 0.511035 0.705018 K\n0.250000 -0.000000 0.000000 Mn\n0.750001 -0.000000 0.000000 Mn\n0.396389 0.700833 0.792777 S\n0.103611 0.908055 0.207222 S\n0.603612 0.299166 0.207223 S\n0.896390 0.091945 0.792778 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Mn",
"S"
],
"chemical_system": "K-Mn-S",
"density": 2.444787476487936,
"density_atomic": 0.03731751910430641,
"volume": 267.97065399896877,
"volume_molar": 16.13756997931047,
"formula_full": "K4 Mn2 S4",
"formula_reduced": "K2MnS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1024746482758618,
"spacegroup": 72
},
{
"id": "jvasp-101291",
"created_at": "2022-09-04T14:37:46.853521Z",
"updated_at": "2022-09-04T14:37:46.853543Z",
"structure_string": "K4 Mn6 S8\n1.0\n5.934593 0.000000 0.000000\n0.000000 6.903280 -2.072238\n0.000000 0.002163 10.599486\nK Mn S\n4 6 8\ndirect\n0.508109 0.750000 0.250000 K\n0.491890 0.250000 0.750000 K\n0.000000 0.500000 -0.000000 K\n0.000000 -0.000000 0.500000 K\n0.249866 0.967791 0.968958 Mn\n0.249866 0.532208 0.531042 Mn\n0.750135 0.032208 0.031042 Mn\n0.750135 0.467792 0.468958 Mn\n0.249283 0.250000 0.250000 Mn\n0.750716 0.750000 0.750000 Mn\n0.533110 0.723252 0.937163 S\n0.533110 0.776748 0.562838 S\n0.031132 0.955764 0.169662 S\n0.031132 0.544236 0.330338 S\n0.466890 0.223252 0.437163 S\n0.968868 0.455764 0.669662 S\n0.968868 0.044236 0.830338 S\n0.466890 0.276748 0.062838 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Mn",
"S"
],
"chemical_system": "K-Mn-S",
"density": 2.839304519198417,
"density_atomic": 0.04144905828067311,
"volume": 434.2680086508275,
"volume_molar": 14.529017087001003,
"formula_full": "K4 Mn6 S8",
"formula_reduced": "K2Mn3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.334315302681992,
"spacegroup": 13
},
{
"id": "jvasp-15342",
"created_at": "2022-09-04T14:36:59.143658Z",
"updated_at": "2022-09-04T14:36:59.143687Z",
"structure_string": "K2 Mn2 Sb2\n1.0\n4.634861 0.000000 0.000000\n0.000000 4.634861 0.000000\n0.000000 0.000000 8.133209\nK Mn Sb\n2 2 2\ndirect\n0.000000 0.500000 0.650983 K\n0.500000 0.000000 0.349017 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.189797 Sb\n0.500000 0.000000 0.810203 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Mn",
"Sb"
],
"chemical_system": "K-Mn-Sb",
"density": 4.101925958909142,
"density_atomic": 0.034341233425689545,
"volume": 174.71707919237397,
"volume_molar": 17.536180734542388,
"formula_full": "K2 Mn2 Sb2",
"formula_reduced": "KMnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.414517113793104,
"spacegroup": 129
},
{
"id": "jvasp-87095",
"created_at": "2022-09-04T14:36:03.438204Z",
"updated_at": "2022-09-04T14:36:03.438235Z",
"structure_string": "K4 Mn2 Se4\n1.0\n5.960919 0.000000 -2.556911\n-1.321745 6.172864 -3.081379\n-0.035866 0.060221 8.143180\nK Mn Se\n4 2 4\ndirect\n0.145863 0.479975 0.291725 K\n0.854137 0.520024 0.708275 K\n0.354137 0.188249 0.708275 K\n0.645863 0.811750 0.291725 K\n0.250000 -0.000000 0.000000 Mn\n0.750000 -0.000000 0.000000 Mn\n0.893830 0.092212 0.787662 Se\n0.106170 0.907787 0.212337 Se\n0.606169 0.304550 0.212338 Se\n0.393831 0.695449 0.787662 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Mn",
"Se"
],
"chemical_system": "K-Mn-Se",
"density": 3.2179795075325797,
"density_atomic": 0.033291215063504125,
"volume": 300.37954400056174,
"volume_molar": 18.089278953959962,
"formula_full": "K4 Mn2 Se4",
"formula_reduced": "K2MnSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.9066699949425284,
"spacegroup": 72
},
{
"id": "jvasp-55253",
"created_at": "2022-09-04T14:38:34.933511Z",
"updated_at": "2022-09-04T14:38:34.933534Z",
"structure_string": "K12 Mn2 Se8\n1.0\n5.110452 -8.851563 -0.000000\n5.110452 8.851563 0.000000\n0.000000 -0.000000 7.856003\nK Mn Se\n12 2 8\ndirect\n0.146582 0.853418 0.547116 K\n0.472838 0.527162 0.865778 K\n0.527162 0.054325 0.365778 K\n0.472838 0.945675 0.865778 K\n0.054325 0.527162 0.865778 K\n0.527162 0.472838 0.365778 K\n0.945675 0.472838 0.365778 K\n0.706837 0.853418 0.547116 K\n0.146582 0.293163 0.547116 K\n0.853418 0.706837 0.047116 K\n0.293163 0.146582 0.047116 K\n0.853418 0.146582 0.047116 K\n0.333333 0.666667 0.249895 Mn\n0.666667 0.333333 0.749895 Mn\n0.609781 0.804890 0.149140 Se\n0.333333 0.666667 0.576701 Se\n0.666667 0.333333 0.076701 Se\n0.195109 0.804890 0.149140 Se\n0.390219 0.195109 0.649139 Se\n0.804890 0.609781 0.649139 Se\n0.195109 0.390219 0.149140 Se\n0.804890 0.195109 0.649139 Se\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Mn",
"Se"
],
"chemical_system": "K-Mn-Se",
"density": 2.828704150007115,
"density_atomic": 0.030953642775969497,
"volume": 710.7402562996381,
"volume_molar": 19.455353941976803,
"formula_full": "K12 Mn2 Se8",
"formula_reduced": "K6MnSe4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.3642635189132708,
"spacegroup": 186
},
{
"id": "jvasp-98305",
"created_at": "2022-09-04T14:36:11.829666Z",
"updated_at": "2022-09-04T14:36:11.829692Z",
"structure_string": "K8 Mn4 Sn4 Se16\n1.0\n8.257138 -0.000000 0.000000\n-0.000000 10.635922 0.000000\n0.000000 0.000000 10.635922\nK Mn Sn Se\n8 4 4 16\ndirect\n0.750000 0.252700 0.247300 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.747300 0.752699 K\n0.250000 0.000000 0.500000 K\n0.750000 0.500000 0.000000 K\n0.250000 0.247300 0.747300 K\n0.250000 0.752699 0.252700 K\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.750000 0.000000 0.500000 Mn\n0.250000 0.500000 0.000000 Mn\n0.750000 0.221512 0.721511 Sn\n0.750000 0.778488 0.278488 Sn\n0.250000 0.278488 0.221512 Sn\n0.250000 0.721511 0.778488 Sn\n0.395449 0.937216 0.788043 Se\n0.895450 0.437216 0.711956 Se\n0.895450 0.562784 0.288044 Se\n0.568085 0.194877 0.525304 Se\n0.604551 0.788043 0.062784 Se\n0.604551 0.211956 0.937216 Se\n0.568085 0.805123 0.474696 Se\n0.431915 0.525304 0.805123 Se\n0.931915 0.025304 0.694877 Se\n0.104551 0.711956 0.562784 Se\n0.431915 0.474696 0.194877 Se\n0.931915 0.974696 0.305123 Se\n0.104551 0.288044 0.437216 Se\n0.068085 0.305123 0.025304 Se\n0.068085 0.694877 0.974696 Se\n0.395449 0.062784 0.211956 Se\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"Mn",
"Sn",
"Se"
],
"chemical_system": "K-Mn-Se-Sn",
"density": 4.036792309621858,
"density_atomic": 0.03425864233594607,
"volume": 934.0708743272007,
"volume_molar": 17.578457140670857,
"formula_full": "K8 Mn4 Sn4 Se16",
"formula_reduced": "K2MnSnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.114614801005747,
"spacegroup": 118
},
{
"id": "jvasp-87097",
"created_at": "2022-09-04T14:36:17.876629Z",
"updated_at": "2022-09-04T14:36:17.876658Z",
"structure_string": "K4 Mn2 Te4\n1.0\n6.356351 -0.000000 -2.736488\n-1.364141 6.507033 -3.168646\n-0.026534 0.057564 8.688917\nK Mn Te\n4 2 4\ndirect\n0.143189 0.465516 0.286378 K\n0.856811 0.534483 0.713622 K\n0.356811 0.179138 0.713622 K\n0.643189 0.820861 0.286377 K\n0.250000 0.000000 -0.000000 Mn\n0.750000 0.000000 -0.000000 Mn\n0.890982 0.092323 0.781963 Te\n0.109019 0.907676 0.218036 Te\n0.609018 0.310361 0.218036 Te\n0.390982 0.689638 0.781963 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Mn",
"Te"
],
"chemical_system": "K-Mn-Te",
"density": 3.5796476542822164,
"density_atomic": 0.027755883141383133,
"volume": 360.2839783213498,
"volume_molar": 21.69680831023957,
"formula_full": "K4 Mn2 Te4",
"formula_reduced": "K2MnTe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7430897549425284,
"spacegroup": 72
},
{
"id": "jvasp-15956",
"created_at": "2022-09-04T14:37:57.013658Z",
"updated_at": "2022-09-04T14:37:57.013672Z",
"structure_string": "K1 Mn1 Te2\n1.0\n4.106416 0.000000 -1.189230\n-0.344404 4.091948 -1.189230\n0.015826 0.017214 7.738997\nK Mn Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750002 0.250000 0.500000 Mn\n0.357686 0.357684 0.715370 Te\n0.642317 0.642316 0.284630 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Mn",
"Te"
],
"chemical_system": "K-Mn-Te",
"density": 4.453789329395832,
"density_atomic": 0.030719994239175288,
"volume": 130.208357750896,
"volume_molar": 19.60332646260832,
"formula_full": "K1 Mn1 Te2",
"formula_reduced": "KMnTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1638126936781608,
"spacegroup": 119
},
{
"id": "jvasp-39405",
"created_at": "2022-09-04T14:38:01.241682Z",
"updated_at": "2022-09-04T14:38:01.241707Z",
"structure_string": "K3 Mo1\n1.0\n-3.179039 3.179039 4.544896\n3.179039 -3.179039 4.544896\n3.179039 3.179039 -4.544896\nK Mo\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500001 0.500001 0.000000 K\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Mo"
],
"chemical_system": "K-Mo",
"density": 1.927221941837612,
"density_atomic": 0.021771298813688413,
"volume": 183.72812914060293,
"volume_molar": 27.660916381404217,
"formula_full": "K3 Mo1",
"formula_reduced": "K3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 1.089287475,
"spacegroup": 225
},
{
"id": "jvasp-54609",
"created_at": "2022-09-04T14:38:31.378218Z",
"updated_at": "2022-09-04T14:38:31.378254Z",
"structure_string": "K6 Na2 Mo4 O16\n1.0\n6.044619 0.000000 0.000000\n-3.022309 5.176209 -0.037225\n0.000000 -0.108669 15.212547\nK Na Mo O\n6 2 4 16\ndirect\n0.356106 0.652697 0.084107 K\n0.643894 0.347303 0.915893 K\n0.067790 -0.000000 0.250000 K\n0.932211 -0.000000 0.750000 K\n0.703408 0.347303 0.415893 K\n0.296592 0.652697 0.584107 K\n0.000000 0.000000 0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.364051 0.676962 0.360752 Mo\n0.635949 0.323038 0.639248 Mo\n0.687088 0.323038 0.139248 Mo\n0.312912 0.676962 0.860752 Mo\n0.620095 0.358949 0.250277 O\n0.379905 0.641051 0.749723 O\n0.389559 0.161455 0.080578 O\n0.160052 0.863000 0.874785 O\n0.261146 0.641051 0.249723 O\n0.771897 0.161455 0.580578 O\n0.297053 0.136999 0.625215 O\n0.872430 0.627609 0.087298 O\n0.702947 0.863001 0.374785 O\n0.127570 0.372391 0.912701 O\n0.228103 0.838545 0.419422 O\n0.839948 0.136999 0.125215 O\n0.610441 0.838544 0.919422 O\n0.738854 0.358949 0.750277 O\n0.244821 0.372391 0.412701 O\n0.755179 0.627609 0.587299 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Na",
"Mo",
"O"
],
"chemical_system": "K-Mo-Na-O",
"density": 3.2109051505944604,
"density_atomic": 0.05882984091845528,
"volume": 475.94893276715,
"volume_molar": 10.236540956055547,
"formula_full": "K6 Na2 Mo4 O16",
"formula_reduced": "K3Na(MoO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.287401628571428,
"spacegroup": 15
},
{
"id": "jvasp-92600",
"created_at": "2022-09-04T14:36:20.756110Z",
"updated_at": "2022-09-04T14:36:20.756133Z",
"structure_string": "K1 Mo1 O3\n1.0\n3.940867 0.000000 0.000000\n0.000000 3.940867 -0.000000\n0.000000 0.000000 3.940867\nK Mo O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Mo",
"O"
],
"chemical_system": "K-Mo-O",
"density": 4.966054320371873,
"density_atomic": 0.08169484815711764,
"volume": 61.20336976921569,
"volume_molar": 7.371506154730912,
"formula_full": "K1 Mo1 O3",
"formula_reduced": "KMoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.15859288,
"spacegroup": 221
}
]
}