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{
"id": "jvasp-36184",
"created_at": "2022-09-04T14:37:16.469791Z",
"updated_at": "2022-09-04T14:37:16.469809Z",
"structure_string": "Cd1 N1\n1.0\n2.975695 0.000000 0.000000\n0.000000 2.975695 0.000000\n-0.000000 0.000000 2.975695\nCd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 N\n",
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"volume": 26.349067239458826,
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{
"id": "jvasp-98405",
"created_at": "2022-09-04T14:35:42.325865Z",
"updated_at": "2022-09-04T14:35:42.325890Z",
"structure_string": "Cd24 N16\n1.0\n8.950036 0.000000 -3.164316\n-4.475017 7.750958 -3.164316\n-0.000000 -0.000000 9.492947\nCd N\n24 16\ndirect\n0.755455 0.030540 0.476978 Cd\n0.476978 0.755455 0.030540 Cd\n0.969460 0.523022 0.244545 Cd\n0.255455 0.778477 0.724914 Cd\n0.446438 0.469460 0.224914 Cd\n0.023022 0.053562 0.278476 Cd\n0.778477 0.724915 0.255454 Cd\n0.775086 0.553562 0.530540 Cd\n0.553562 0.530540 0.775086 Cd\n0.469460 0.224914 0.446438 Cd\n0.721524 0.976979 0.946438 Cd\n0.976979 0.946438 0.721523 Cd\n0.278477 0.023022 0.053562 Cd\n0.523022 0.244545 0.969460 Cd\n0.724915 0.255455 0.778476 Cd\n0.221524 0.275086 0.744545 Cd\n0.744546 0.221524 0.275085 Cd\n0.030540 0.476978 0.755455 Cd\n0.275086 0.744545 0.221523 Cd\n0.244545 0.969460 0.523021 Cd\n0.946438 0.721524 0.976978 Cd\n0.224914 0.446438 0.469460 Cd\n0.530540 0.775086 0.553562 Cd\n0.053562 0.278477 0.023022 Cd\n0.500000 0.500000 0.500000 N\n0.278533 0.528533 0.750000 N\n0.750000 0.778533 0.028532 N\n0.528533 0.750000 0.278532 N\n0.721468 0.471468 0.250000 N\n0.028533 0.750000 0.778533 N\n0.750000 0.278533 0.528532 N\n0.778533 0.028533 0.750000 N\n0.250000 0.721468 0.471467 N\n0.471468 0.250000 0.721467 N\n0.971468 0.250000 0.221467 N\n0.250000 0.221467 0.971468 N\n0.221467 0.971468 0.250000 N\n0.500000 -0.000000 -0.000000 N\n0.000000 0.000000 0.500000 N\n-0.000000 0.500000 -0.000000 N\n",
"nsites": 40,
"nelements": 2,
"elements": [
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"N"
],
"chemical_system": "Cd-N",
"density": 7.367901420777007,
"density_atomic": 0.06074055689126113,
"volume": 658.5385786239784,
"volume_molar": 9.914530040909813,
"formula_full": "Cd24 N16",
"formula_reduced": "Cd3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.0751931499999998,
"spacegroup": 206
},
{
"id": "jvasp-36267",
"created_at": "2022-09-04T14:37:58.042841Z",
"updated_at": "2022-09-04T14:37:58.042863Z",
"structure_string": "Cd1 N1\n1.0\n2.372891 2.372891 0.000000\n2.372891 -0.000000 -2.372891\n0.000000 2.372891 -2.372891\nCd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
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],
"chemical_system": "Cd-N",
"density": 7.855857898558899,
"density_atomic": 0.07484566175785275,
"volume": 26.72165564479309,
"volume_molar": 8.046078581659627,
"formula_full": "Cd1 N1",
"formula_reduced": "CdN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5358565,
"spacegroup": 225
},
{
"id": "jvasp-78362",
"created_at": "2022-09-04T14:37:51.305683Z",
"updated_at": "2022-09-04T14:37:51.305708Z",
"structure_string": "Cd1 N1\n1.0\n-2.551772 -2.551772 0.000000\n-2.551772 0.000000 -2.551772\n0.000000 -2.551772 -2.551772\nCd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.749999 0.749999 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
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],
"chemical_system": "Cd-N",
"density": 6.316861913471727,
"density_atomic": 0.0601830781885066,
"volume": 33.23193263288331,
"volume_molar": 10.006368802103035,
"formula_full": "Cd1 N1",
"formula_reduced": "CdN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5964465,
"spacegroup": 216
},
{
"id": "jvasp-36279",
"created_at": "2022-09-04T14:37:11.526912Z",
"updated_at": "2022-09-04T14:37:11.526927Z",
"structure_string": "Cd1 N1\n1.0\n1.651962 -2.861283 -0.000000\n1.651962 2.861283 0.000000\n0.000000 -0.000000 2.978898\nCd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666666 0.500000 N\n",
"nsites": 2,
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"elements": [
"Cd",
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],
"chemical_system": "Cd-N",
"density": 7.45436211656225,
"density_atomic": 0.07102046304823272,
"volume": 28.16089777733107,
"volume_molar": 8.479444517152944,
"formula_full": "Cd1 N1",
"formula_reduced": "CdN",
"formula_anonymous": "AB",
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"spacegroup": 187
},
{
"id": "jvasp-36181",
"created_at": "2022-09-04T14:37:16.753200Z",
"updated_at": "2022-09-04T14:37:16.753219Z",
"structure_string": "Cd2 N2\n1.0\n1.665170 -2.884160 -0.000000\n1.665170 2.884160 0.000000\n-0.000000 0.000000 5.835098\nCd N\n2 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.750000 N\n0.666667 0.333333 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"N"
],
"chemical_system": "Cd-N",
"density": 7.490846545812728,
"density_atomic": 0.07136806369050128,
"volume": 56.04747828589862,
"volume_molar": 8.438145087018125,
"formula_full": "Cd2 N2",
"formula_reduced": "CdN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5922164999999997,
"spacegroup": 194
},
{
"id": "jvasp-105134",
"created_at": "2022-09-04T14:36:54.734460Z",
"updated_at": "2022-09-04T14:36:54.734484Z",
"structure_string": "Cd3 Ir1\n1.0\n4.205430 -0.000000 0.000000\n0.000000 4.205430 0.000000\n-0.000000 -0.000000 4.205430\nCd Ir\n3 1\ndirect\n-0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir",
"density": 11.820689908975808,
"density_atomic": 0.05378098671207042,
"volume": 74.375727269843,
"volume_molar": 11.197527468659127,
"formula_full": "Cd3 Ir1",
"formula_reduced": "Cd3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0012949999999999,
"spacegroup": 221
},
{
"id": "jvasp-107648",
"created_at": "2022-09-04T14:36:58.602045Z",
"updated_at": "2022-09-04T14:36:58.602066Z",
"structure_string": "Cd3 Ir1\n1.0\n3.784392 -0.028055 -3.635603\n-0.705941 3.718071 -3.635603\n0.023405 0.028055 5.247731\nCd Ir\n3 1\ndirect\n0.750000 0.250000 0.500001 Cd\n0.250001 0.749999 0.500000 Cd\n0.500000 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir",
"density": 11.799110324999704,
"density_atomic": 0.05368280535988136,
"volume": 74.51175424206333,
"volume_molar": 11.218006808005814,
"formula_full": "Cd3 Ir1",
"formula_reduced": "Cd3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-16801",
"created_at": "2022-09-04T14:38:31.799735Z",
"updated_at": "2022-09-04T14:38:31.799749Z",
"structure_string": "Cd3 In1\n1.0\n4.580242 0.000000 0.000000\n0.000000 4.580242 0.000000\n0.000000 -0.000000 4.580242\nCd In\n3 1\ndirect\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"In"
],
"chemical_system": "Cd-In",
"density": 7.812162299146595,
"density_atomic": 0.041628879061596236,
"volume": 96.08714167108353,
"volume_molar": 14.466257309233166,
"formula_full": "Cd3 In1",
"formula_reduced": "Cd3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-118002",
"created_at": "2022-09-04T14:38:30.423404Z",
"updated_at": "2022-09-04T14:38:30.423436Z",
"structure_string": "Cd2 In1\n1.0\n5.246792 0.000000 -1.340586\n0.000000 3.099044 0.000000\n-1.456028 0.000000 5.215923\nCd In\n2 1\ndirect\n-0.199994 0.000000 -0.200042 Cd\n0.133338 0.000000 0.466704 Cd\n0.466656 0.000000 0.133337 In\n",
"nsites": 3,
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"elements": [
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"density": 7.160629936768916,
"density_atomic": 0.03808943713142839,
"volume": 78.76199350619012,
"volume_molar": 15.810527047749428,
"formula_full": "Cd2 In1",
"formula_reduced": "Cd2In",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1669645833333333,
"spacegroup": 191
},
{
"id": "jvasp-109934",
"created_at": "2022-09-04T14:38:37.234744Z",
"updated_at": "2022-09-04T14:38:37.234763Z",
"structure_string": "Cd1 In3\n1.0\n4.620668 -0.000000 2.667744\n1.540223 4.356407 2.667744\n-0.000000 -0.000000 5.335488\nCd In\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.749999 In\n0.500000 0.500000 0.499999 In\n",
"nsites": 4,
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"elements": [
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"density": 7.063657385126098,
"density_atomic": 0.03724368386139734,
"volume": 107.40076129112337,
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"formula_full": "Cd1 In3",
"formula_reduced": "CdIn3",
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"spacegroup": 225
},
{
"id": "jvasp-29671",
"created_at": "2022-09-04T14:36:40.358261Z",
"updated_at": "2022-09-04T14:36:40.358280Z",
"structure_string": "Cd10 I20\n1.0\n4.285940 -0.000000 -0.000000\n-2.142970 3.711731 -0.000000\n0.000000 0.000000 68.795805\nCd I\n10 20\ndirect\n0.666667 0.333333 0.225012 Cd\n0.333333 0.666667 0.124995 Cd\n0.333333 0.666667 0.325020 Cd\n0.333333 0.666667 0.724997 Cd\n0.333333 0.666667 0.525005 Cd\n0.000000 0.000000 0.624979 Cd\n0.000000 0.000000 0.824984 Cd\n0.666667 0.333333 0.025008 Cd\n0.333333 0.666667 0.925003 Cd\n0.666667 0.333333 0.425016 Cd\n0.333333 0.666667 0.799781 I\n0.000000 0.000000 0.499793 I\n0.333333 0.666667 0.250213 I\n0.333333 0.666667 0.599776 I\n0.666667 0.333333 0.850201 I\n0.333333 0.666667 0.050208 I\n0.000000 0.000000 -0.000212 I\n0.666667 0.333333 0.150197 I\n0.000000 0.000000 0.899792 I\n0.666667 0.333333 0.950210 I\n0.666667 0.333333 0.350220 I\n0.000000 0.000000 0.399797 I\n0.000000 0.000000 0.199791 I\n0.000000 0.000000 0.699792 I\n0.000000 0.000000 0.299802 I\n0.666667 0.333333 0.650196 I\n0.333333 0.666667 0.450217 I\n0.000000 0.000000 0.099775 I\n0.666667 0.333333 0.550213 I\n0.666667 0.333333 0.750213 I\n",
"nsites": 30,
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"elements": [
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"I"
],
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"density": 5.556566889774794,
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"volume": 1094.4213025797928,
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"formula_full": "Cd10 I20",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00016,
"spacegroup": 156
}
]
}