HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=63",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=61",
"results": [
{
"id": "mp-662752",
"created_at": "2022-09-04T14:42:42.501031Z",
"structure_string": "Nb2 Br10\n1.0\n6.964438 0.000000 0.000000\n-3.303522 6.780935 0.000000\n-0.198755 -3.934010 9.321405\nNb Br\n2 10\ndirect\n0.385246 0.498426 0.719716 Nb\n0.614754 0.501574 0.280284 Nb\n0.238202 0.722690 0.649323 Br\n0.770232 0.715122 0.458211 Br\n0.761798 0.277310 0.350677 Br\n0.389901 0.261083 0.174709 Br\n0.610099 0.738917 0.825291 Br\n0.449010 0.731092 0.254575 Br\n0.229768 0.284878 0.541789 Br\n0.993663 0.739860 0.076365 Br\n0.006337 0.260140 0.923635 Br\n0.550990 0.268908 0.745425 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nb",
"Br"
],
"chemical_system": "Br-Nb",
"density": 3.715038921848042,
"density_atomic": 0.0272598969908708,
"volume": 440.207092639372,
"volume_molar": 22.091575628538816,
"formula_full": "Nb2 Br10",
"formula_reduced": "NbBr5",
"formula_anonymous": "AB5",
"energy": -14.04488171,
"energy_per_atom": -1.1704068091666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.70488171,
"band_gap": 0.2398,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.595000Z",
"spacegroup": 2
},
{
"id": "mp-1099338",
"created_at": "2022-09-04T14:48:12.040604Z",
"structure_string": "Cs1 Na1 Mg6\n1.0\n3.399543 -6.097966 0.000000\n3.399543 6.097966 0.000000\n0.000000 0.000000 5.798415\nCs Na Mg\n1 1 6\ndirect\n0.332865 0.667135 0.500000 Cs\n0.833136 0.166864 0.500000 Na\n0.328983 0.164688 0.500000 Mg\n0.835312 0.671017 0.500000 Mg\n0.164040 0.316776 0.000000 Mg\n0.683224 0.835960 0.000000 Mg\n0.664510 0.335490 0.000000 Mg\n0.157935 0.842065 0.000000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Na",
"Mg"
],
"chemical_system": "Cs-Mg-Na",
"density": 2.084087187116488,
"density_atomic": 0.03327707601553892,
"volume": 240.40573745915518,
"volume_molar": 18.096964881132966,
"formula_full": "Cs1 Na1 Mg6",
"formula_reduced": "CsNaMg6",
"formula_anonymous": "ABC6",
"energy": -9.36870199,
"energy_per_atom": -1.17108774875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.36870199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.947000Z",
"spacegroup": 38
},
{
"id": "mp-1093819",
"created_at": "2022-09-04T14:43:13.989575Z",
"structure_string": "Li1 Sc1 Cd2\n1.0\n-5.902189 6.108814 8.829955\n5.902189 -6.108814 8.829955\n5.902189 6.108814 -8.829955\nLi Sc Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.237462 0.237462 Cd\n0.000000 0.762538 0.762538 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Cd"
],
"chemical_system": "Cd-Li-Sc",
"density": 0.36082734512179976,
"density_atomic": 0.0031410257396957443,
"volume": 1273.4693477511778,
"volume_molar": 191.72529164257458,
"formula_full": "Li1 Sc1 Cd2",
"formula_reduced": "LiScCd2",
"formula_anonymous": "ABC2",
"energy": -4.68509104,
"energy_per_atom": -1.17127276,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.68509104,
"band_gap": 0.0509999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0401464,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.501000Z",
"spacegroup": 71
},
{
"id": "mp-1226137",
"created_at": "2022-09-04T14:41:51.813703Z",
"structure_string": "Cu2 Hg1 I4\n1.0\n10.035405 -17.380747 0.000000\n10.035405 17.380747 0.000000\n0.000000 0.000000 8.154920\nCu Hg I\n2 1 4\ndirect\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Hg\n0.666649 0.333351 0.835930 I\n0.333351 0.666649 0.835930 I\n0.333351 0.666649 0.164070 I\n0.666649 0.333351 0.164070 I\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cu",
"Hg",
"I"
],
"chemical_system": "Cu-Hg-I",
"density": 0.48757168192239914,
"density_atomic": 0.0024606225372604293,
"volume": 2844.8085368646402,
"volume_molar": 244.74053491783587,
"formula_full": "Cu2 Hg1 I4",
"formula_reduced": "Cu2HgI4",
"formula_anonymous": "AB2C4",
"energy": -8.199103860000001,
"energy_per_atom": -1.1713005514285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.68310386,
"band_gap": 0.2378000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.998756,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.029000Z",
"spacegroup": 65
},
{
"id": "mp-1095817",
"created_at": "2022-09-04T14:45:17.366174Z",
"structure_string": "Na2 Hg1 Au1\n1.0\n-5.919935 5.954589 8.402815\n5.919935 -5.954589 8.402815\n5.919935 5.954589 -8.402815\nNa Hg Au\n2 1 1\ndirect\n0.000000 0.235932 0.235932 Na\n0.000000 0.764068 0.764068 Na\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Na",
"density": 0.6216193943301092,
"density_atomic": 0.0033760313348009663,
"volume": 1184.8231261265291,
"volume_molar": 178.3792910309298,
"formula_full": "Na2 Hg1 Au1",
"formula_reduced": "Na2HgAu",
"formula_anonymous": "ABC2",
"energy": -4.68573763,
"energy_per_atom": -1.1714344075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.68573763,
"band_gap": 0.0956999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9999986,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.142000Z",
"spacegroup": 71
},
{
"id": "mp-1097661",
"created_at": "2022-09-04T14:44:58.974930Z",
"structure_string": "Li1 Y1 Cd2\n1.0\n-5.867786 6.314595 8.886582\n5.867786 -6.314595 8.886582\n5.867786 6.314595 -8.886582\nLi Y Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.236450 0.236450 Cd\n0.000000 0.763550 0.763550 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Cd"
],
"chemical_system": "Cd-Li-Y",
"density": 0.40428847376284155,
"density_atomic": 0.0030370048072792507,
"volume": 1317.0871479730927,
"volume_molar": 198.29210495702281,
"formula_full": "Li1 Y1 Cd2",
"formula_reduced": "LiYCd2",
"formula_anonymous": "ABC2",
"energy": -4.69654496,
"energy_per_atom": -1.17413624,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.69654496,
"band_gap": 0.0977999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.109000Z",
"spacegroup": 71
},
{
"id": "mp-1016267",
"created_at": "2022-09-04T14:39:21.304415Z",
"structure_string": "Cs2 Mg12 Cd2\n1.0\n5.371938 0.000000 0.000000\n0.000000 7.210644 0.000000\n0.000000 0.000000 12.041505\nCs Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.332685 Cs\n0.000000 0.000000 0.832685 Cs\n0.000000 0.253344 0.081495 Mg\n0.000000 0.746656 0.081495 Mg\n0.000000 0.500000 0.838885 Mg\n0.500000 0.282894 0.928295 Mg\n0.500000 0.717106 0.928295 Mg\n0.500000 0.500000 0.666290 Mg\n0.000000 0.753344 0.581495 Mg\n0.000000 0.246656 0.581495 Mg\n0.000000 0.000000 0.338885 Mg\n0.500000 0.782894 0.428295 Mg\n0.500000 0.217106 0.428295 Mg\n0.500000 0.000000 0.166290 Mg\n0.500000 0.500000 0.142558 Cd\n0.500000 0.000000 0.642558 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Cd"
],
"chemical_system": "Cd-Cs-Mg",
"density": 2.785047918731331,
"density_atomic": 0.034303162949368214,
"volume": 466.42929177161153,
"volume_molar": 17.555642810223464,
"formula_full": "Cs2 Mg12 Cd2",
"formula_reduced": "CsMg6Cd",
"formula_anonymous": "ABC6",
"energy": -18.79281489,
"energy_per_atom": -1.174550930625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.79281489,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027352,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.147000Z",
"spacegroup": 38
},
{
"id": "mp-1185566",
"created_at": "2022-09-04T14:43:36.950037Z",
"structure_string": "Cs3 Ac1\n1.0\n6.963432 0.000000 0.000000\n0.000000 6.963432 0.000000\n0.000000 0.000000 6.963432\nCs Ac\n3 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Ac"
],
"chemical_system": "Ac-Cs",
"density": 3.0772061226927923,
"density_atomic": 0.011846497702021869,
"volume": 337.65253669169334,
"volume_molar": 50.834777598211055,
"formula_full": "Cs3 Ac1",
"formula_reduced": "Cs3Ac",
"formula_anonymous": "AB3",
"energy": -4.70014259,
"energy_per_atom": -1.1750356475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.70014259,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4226751,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.864000Z",
"spacegroup": 221
},
{
"id": "mp-1097373",
"created_at": "2022-09-04T14:41:15.877396Z",
"structure_string": "Sc1 In1 Hg2\n1.0\n-5.654363 6.186409 8.739424\n5.654363 -6.186409 8.739424\n5.654363 6.186409 -8.739424\nSc In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.248956 0.248956 Hg\n0.000000 0.751044 0.751044 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Hg"
],
"chemical_system": "Hg-In-Sc",
"density": 0.7617477186750029,
"density_atomic": 0.003271107938760602,
"volume": 1222.827272864487,
"volume_molar": 184.1009490589217,
"formula_full": "Sc1 In1 Hg2",
"formula_reduced": "ScInHg2",
"formula_anonymous": "ABC2",
"energy": -4.7005719,
"energy_per_atom": -1.175142975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7005719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9998928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.531000Z",
"spacegroup": 71
},
{
"id": "mp-1184855",
"created_at": "2022-09-04T14:41:26.506523Z",
"structure_string": "K3 Ca1\n1.0\n6.324127 0.000000 0.000000\n0.000000 6.324127 0.000000\n0.000000 0.000000 6.324127\nK Ca\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ca"
],
"chemical_system": "Ca-K",
"density": 1.0331831079007825,
"density_atomic": 0.015814601138526296,
"volume": 252.9308178538574,
"volume_molar": 38.07962469144626,
"formula_full": "K3 Ca1",
"formula_reduced": "K3Ca",
"formula_anonymous": "AB3",
"energy": -4.70253321,
"energy_per_atom": -1.1756333025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.70253321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0905151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.257000Z",
"spacegroup": 221
},
{
"id": "mp-1095870",
"created_at": "2022-09-04T14:44:23.439965Z",
"structure_string": "Ca2 Hg1 Ge1\n1.0\n-6.068015 6.305159 8.908799\n6.068015 -6.305159 8.908799\n6.068015 6.305159 -8.908799\nCa Hg Ge\n2 1 1\ndirect\n0.000000 0.229776 0.229776 Ca\n0.000000 0.770224 0.770224 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hg",
"Ge"
],
"chemical_system": "Ca-Ge-Hg",
"density": 0.4304042957749594,
"density_atomic": 0.002933851656558215,
"volume": 1363.3954501614148,
"volume_molar": 205.26398281039013,
"formula_full": "Ca2 Hg1 Ge1",
"formula_reduced": "Ca2HgGe",
"formula_anonymous": "ABC2",
"energy": -4.70424148,
"energy_per_atom": -1.17606037,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.70424148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.99912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.619000Z",
"spacegroup": 71
},
{
"id": "mp-1184877",
"created_at": "2022-09-04T14:41:28.970618Z",
"structure_string": "K3 Ca1\n1.0\n0.000000 5.034152 5.034152\n5.034152 0.000000 5.034152\n5.034152 5.034152 0.000000\nK Ca\n3 1\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ca"
],
"chemical_system": "Ca-K",
"density": 1.0241653452562034,
"density_atomic": 0.015676569149525157,
"volume": 255.1578704401122,
"volume_molar": 38.41491529530497,
"formula_full": "K3 Ca1",
"formula_reduced": "K3Ca",
"formula_anonymous": "AB3",
"energy": -4.7047741,
"energy_per_atom": -1.176193525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7047741,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0093753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.307000Z",
"spacegroup": 225
}
]
}