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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4116",
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"results": [
{
"id": "jvasp-91866",
"created_at": "2022-09-04T14:35:46.169419Z",
"updated_at": "2022-09-04T14:35:46.169451Z",
"structure_string": "Mg7 Cd1\n1.0\n6.332018 0.000000 0.000000\n-3.166009 5.483688 0.000000\n0.000000 -0.000000 5.136831\nMg Cd\n7 1\ndirect\n0.164965 0.832482 0.250000 Mg\n0.667518 0.335036 0.250000 Mg\n0.667518 0.832482 0.250000 Mg\n0.333143 0.166858 0.750000 Mg\n0.333143 0.666287 0.750000 Mg\n0.833713 0.166858 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Mg",
"density": 2.630438213390585,
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"volume": 178.3652125806069,
"volume_molar": 13.426755210596719,
"formula_full": "Mg7 Cd1",
"formula_reduced": "Mg7Cd",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-93324",
"created_at": "2022-09-04T14:35:42.275315Z",
"updated_at": "2022-09-04T14:35:42.275339Z",
"structure_string": "Mg4 Cd2\n1.0\n3.250074 0.000000 -0.000000\n-1.625037 2.814647 -0.000000\n-0.000000 -0.000000 14.606751\nMg Cd\n4 2\ndirect\n0.333332 0.666668 0.913650 Mg\n0.333332 0.666668 0.586350 Mg\n0.666666 0.333333 0.413650 Mg\n0.666666 0.333333 0.086350 Mg\n0.666666 0.333333 0.750000 Cd\n0.333332 0.666668 0.250000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-Mg",
"density": 4.002126408082383,
"density_atomic": 0.04490352546024598,
"volume": 133.6197979669085,
"volume_molar": 13.41128719465808,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-38940",
"created_at": "2022-09-04T14:37:55.604478Z",
"updated_at": "2022-09-04T14:37:55.604512Z",
"structure_string": "Mg3 Cd1\n1.0\n4.434987 0.000000 0.000000\n0.000000 4.434987 0.000000\n-0.000000 -0.000000 4.434987\nMg Cd\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.527836069264439,
"density_atomic": 0.04585460301232945,
"volume": 87.23224577747351,
"volume_molar": 13.133121572071529,
"formula_full": "Mg3 Cd1",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1558414705882352,
"spacegroup": 221
},
{
"id": "jvasp-79178",
"created_at": "2022-09-04T14:38:03.929903Z",
"updated_at": "2022-09-04T14:38:03.929935Z",
"structure_string": "Mg3 Cd1\n1.0\n6.277686 -0.112563 0.000000\n-1.618162 2.802740 0.000000\n0.000000 0.000000 5.039928\nMg Cd\n3 1\ndirect\n0.671323 0.671323 0.250000 Mg\n0.329646 0.329645 0.750000 Mg\n0.831618 0.331618 0.750000 Mg\n0.167417 0.667417 0.250000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.5066956955741544,
"density_atomic": 0.045579821694811375,
"volume": 87.75813180628006,
"volume_molar": 13.212295564301291,
"formula_full": "Mg3 Cd1",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1576839705882352,
"spacegroup": 25
},
{
"id": "jvasp-18648",
"created_at": "2022-09-04T14:37:02.196669Z",
"updated_at": "2022-09-04T14:37:02.196690Z",
"structure_string": "Mg6 Cd2\n1.0\n3.142468 -5.442914 -0.000000\n3.142468 5.442914 0.000000\n0.000000 -0.000000 5.061597\nMg Cd\n6 2\ndirect\n0.664306 0.832153 0.250000 Mg\n0.832153 0.167848 0.750000 Mg\n0.335695 0.167848 0.750000 Mg\n0.167848 0.832153 0.250000 Mg\n0.167848 0.335695 0.250000 Mg\n0.832153 0.664306 0.750000 Mg\n0.666667 0.333333 0.250000 Cd\n0.333333 0.666667 0.750000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.554639391776155,
"density_atomic": 0.04620299100118588,
"volume": 173.14896344686142,
"volume_molar": 13.034092879063678,
"formula_full": "Mg6 Cd2",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1522664705882352,
"spacegroup": 194
},
{
"id": "jvasp-18649",
"created_at": "2022-09-04T14:37:00.695085Z",
"updated_at": "2022-09-04T14:37:00.695121Z",
"structure_string": "Mg2 Cd6\n1.0\n3.126094 -5.414555 -0.000000\n3.126094 5.414555 0.000000\n-0.000000 0.000000 5.109008\nMg Cd\n2 6\ndirect\n0.666666 0.333332 0.250000 Mg\n0.333332 0.666666 0.750000 Mg\n0.167360 0.334720 0.250000 Cd\n0.832639 0.665279 0.750000 Cd\n0.832639 0.167360 0.750000 Cd\n0.665279 0.832639 0.250000 Cd\n0.167360 0.832639 0.250000 Cd\n0.334720 0.167360 0.750000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.942272608584727,
"density_atomic": 0.04625499157226884,
"volume": 172.95430672602745,
"volume_molar": 13.019439751904402,
"formula_full": "Mg2 Cd6",
"formula_reduced": "MgCd3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-118680",
"created_at": "2022-09-04T14:38:46.295405Z",
"updated_at": "2022-09-04T14:38:46.295420Z",
"structure_string": "Mg2 Cd1\n1.0\n5.081907 0.000000 1.347486\n0.000000 3.210023 0.000000\n1.542786 0.000000 4.997398\nMg Cd\n2 1\ndirect\n0.133063 0.000000 -0.201190 Mg\n-0.199706 0.000000 0.467859 Mg\n0.466643 0.000000 0.133331 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.572257883532895,
"density_atomic": 0.04008043636498795,
"volume": 74.84948448866275,
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"formula_full": "Mg2 Cd1",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3257841176470587,
"spacegroup": 65
},
{
"id": "jvasp-93717",
"created_at": "2022-09-04T14:35:52.259213Z",
"updated_at": "2022-09-04T14:35:52.259233Z",
"structure_string": "Mg1 Cd5\n1.0\n3.281319 -0.000000 0.000000\n-1.640661 2.841706 0.000000\n0.000000 -0.000000 14.378961\nMg Cd\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333333 0.837109 Cd\n0.000000 0.000000 0.668351 Cd\n0.666668 0.333333 0.500000 Cd\n0.000000 0.000000 0.331649 Cd\n0.666668 0.333333 0.162891 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 7.262034877206386,
"density_atomic": 0.04475032019545605,
"volume": 134.07725294017538,
"volume_molar": 13.457201498664332,
"formula_full": "Mg1 Cd5",
"formula_reduced": "MgCd5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-93316",
"created_at": "2022-09-04T14:35:49.062129Z",
"updated_at": "2022-09-04T14:35:49.062157Z",
"structure_string": "Mg2 Cd4\n1.0\n3.253668 0.000000 -0.000000\n-1.626833 2.817758 0.000000\n-0.000000 0.000000 14.637006\nMg Cd\n2 4\ndirect\n0.666668 0.333333 0.585946 Mg\n0.333334 0.666667 0.414056 Mg\n0.666668 0.333333 0.916237 Cd\n0.333334 0.666667 0.748503 Cd\n0.666668 0.333333 0.251498 Cd\n0.333334 0.666667 0.083763 Cd\n",
"nsites": 6,
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"elements": [
"Mg",
"Cd"
],
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"density": 6.165534227111056,
"density_atomic": 0.04471179156304835,
"volume": 134.19278875326134,
"volume_molar": 13.46879771415141,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3536147058823529,
"spacegroup": 164
},
{
"id": "jvasp-93318",
"created_at": "2022-09-04T14:35:56.869974Z",
"updated_at": "2022-09-04T14:35:56.870000Z",
"structure_string": "Mg2 Cd4\n1.0\n3.277322 0.000000 0.000000\n-1.638661 2.838244 0.000000\n0.000000 -0.000000 14.237100\nMg Cd\n2 4\ndirect\n0.333333 0.666666 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.666667 0.333333 0.914580 Cd\n0.666667 0.333333 0.585420 Cd\n0.333333 0.666666 0.414580 Cd\n0.333333 0.666666 0.085420 Cd\n",
"nsites": 6,
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"elements": [
"Mg",
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],
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"density": 6.24754674313309,
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"volume": 132.43121918201086,
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"formula_full": "Mg2 Cd4",
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"spacegroup": 194
},
{
"id": "jvasp-123911",
"created_at": "2022-09-04T14:38:55.111461Z",
"updated_at": "2022-09-04T14:38:55.111495Z",
"structure_string": "Mg1 Cd1\n1.0\n1.635153 -2.832172 -0.000000\n1.635153 2.832172 -0.000000\n0.000000 0.000000 4.727492\nMg Cd\n1 1\ndirect\n0.333332 0.666666 0.250000 Mg\n0.666666 0.333332 0.750000 Cd\n",
"nsites": 2,
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"elements": [
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"formula_full": "Mg1 Cd1",
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"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-79197",
"created_at": "2022-09-04T14:37:12.325828Z",
"updated_at": "2022-09-04T14:37:12.325856Z",
"structure_string": "Mg2 Cd2\n1.0\n4.982638 0.000000 0.000000\n-2.491318 4.315090 -0.000000\n0.000000 0.000000 5.708269\nMg Cd\n2 2\ndirect\n0.333333 0.666667 0.437517 Mg\n0.666667 0.333333 0.937517 Mg\n0.333333 0.666667 0.937483 Cd\n0.666667 0.333333 0.437483 Cd\n",
"nsites": 4,
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"elements": [
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"density": 3.6995151622552434,
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"volume": 122.73081691650192,
"volume_molar": 18.47755637652409,
"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
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}
]
}