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=-nsites&page=11454",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=11452",
"results": [
{
"id": "mp-865351",
"created_at": "2022-09-04T14:39:43.590307Z",
"structure_string": "Tm2 Zn1 Ru1\n1.0\n0.000000 3.430129 3.430129\n3.430129 0.000000 3.430129\n3.430129 3.430129 0.000000\nTm Zn Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Tm\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Zn",
"Ru"
],
"chemical_system": "Ru-Tm-Zn",
"density": 10.37570332935446,
"density_atomic": 0.04955627290011026,
"volume": 80.71632037507607,
"volume_molar": 12.152126073199103,
"formula_full": "Tm2 Zn1 Ru1",
"formula_reduced": "Tm2ZnRu",
"formula_anonymous": "ABC2",
"energy": -21.16081823,
"energy_per_atom": -5.2902045575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.16081823,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.727000Z",
"spacegroup": 225
},
{
"id": "mp-1096458",
"created_at": "2022-09-04T14:39:47.711976Z",
"structure_string": "Na1 Tl1 Cd2\n1.0\n-6.044578 6.146596 8.418492\n6.044578 -6.146596 8.418492\n6.044578 6.146596 -8.418492\nNa Tl Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.249998 0.249998 Cd\n0.000000 0.750002 0.750002 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Cd"
],
"chemical_system": "Cd-Na-Tl",
"density": 0.6001778590395918,
"density_atomic": 0.0031971649360757522,
"volume": 1251.1084288662503,
"volume_molar": 188.35877661637514,
"formula_full": "Na1 Tl1 Cd2",
"formula_reduced": "NaTlCd2",
"formula_anonymous": "ABC2",
"energy": -2.48301332,
"energy_per_atom": -0.62075333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.48301332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015969,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.332000Z",
"spacegroup": 71
},
{
"id": "mp-865278",
"created_at": "2022-09-04T14:39:42.191754Z",
"structure_string": "Nb1 Al1 Os2\n1.0\n0.000000 3.120952 3.120952\n3.120952 0.000000 3.120952\n3.120952 3.120952 0.000000\nNb Al Os\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Al",
"Os"
],
"chemical_system": "Al-Nb-Os",
"density": 13.665638605166283,
"density_atomic": 0.06579133936586445,
"volume": 60.79827586053648,
"volume_molar": 9.15339437993652,
"formula_full": "Nb1 Al1 Os2",
"formula_reduced": "NbAlOs2",
"formula_anonymous": "ABC2",
"energy": -38.05445886,
"energy_per_atom": -9.513614715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.05445886,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001552,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.144000Z",
"spacegroup": 225
},
{
"id": "mp-976272",
"created_at": "2022-09-04T14:39:41.758347Z",
"structure_string": "Li1 Ca3\n1.0\n-2.599326 2.599326 5.559929\n2.599326 -2.599326 5.559929\n2.599326 2.599326 -5.559929\nLi Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ca"
],
"chemical_system": "Ca-Li",
"density": 1.4054005040887312,
"density_atomic": 0.02662007363938543,
"volume": 150.26254450633243,
"volume_molar": 22.622554849322466,
"formula_full": "Li1 Ca3",
"formula_reduced": "LiCa3",
"formula_anonymous": "AB3",
"energy": -7.63360882,
"energy_per_atom": -1.908402205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.63360882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0150036,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.244000Z",
"spacegroup": 139
},
{
"id": "mp-1183858",
"created_at": "2022-09-04T14:39:47.617322Z",
"structure_string": "Ce1 S3\n1.0\n-1.966317 1.966317 4.937449\n1.966317 -1.966317 4.937449\n1.966317 1.966317 -4.937449\nCe S\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 S\n0.250000 0.750000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"S"
],
"chemical_system": "Ce-S",
"density": 5.138819381869455,
"density_atomic": 0.052382993036343736,
"volume": 76.36066150753868,
"volume_molar": 11.496366303127793,
"formula_full": "Ce1 S3",
"formula_reduced": "CeS3",
"formula_anonymous": "AB3",
"energy": -23.64995756,
"energy_per_atom": -5.91248939,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.14095756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.237000Z",
"spacegroup": 139
},
{
"id": "mp-1184028",
"created_at": "2022-09-04T14:39:46.805082Z",
"structure_string": "Cu3 Rh1\n1.0\n-1.856510 1.856510 3.642757\n1.856510 -1.856510 3.642757\n1.856510 1.856510 -3.642757\nCu Rh\n3 1\ndirect\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Rh"
],
"chemical_system": "Cu-Rh",
"density": 9.705921782170295,
"density_atomic": 0.0796480619710248,
"volume": 50.22093320305975,
"volume_molar": 7.560938221184587,
"formula_full": "Cu3 Rh1",
"formula_reduced": "Cu3Rh",
"formula_anonymous": "AB3",
"energy": -19.49884217,
"energy_per_atom": -4.8747105425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.49884217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.890000Z",
"spacegroup": 139
},
{
"id": "mp-977433",
"created_at": "2022-09-04T14:39:47.629023Z",
"structure_string": "Er1 Mg1 Zn2\n1.0\n0.000000 3.396180 3.396180\n3.396180 0.000000 3.396180\n3.396180 3.396180 0.000000\nEr Mg Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Zn"
],
"chemical_system": "Er-Mg-Zn",
"density": 6.833100160785269,
"density_atomic": 0.05105730594096202,
"volume": 78.34334237347409,
"volume_molar": 11.794865884548337,
"formula_full": "Er1 Mg1 Zn2",
"formula_reduced": "ErMgZn2",
"formula_anonymous": "ABC2",
"energy": -10.03136652,
"energy_per_atom": -2.50784163,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.03136652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.087000Z",
"spacegroup": 225
},
{
"id": "mp-1186910",
"created_at": "2022-09-04T14:39:46.784594Z",
"structure_string": "Rb1 Ce3\n1.0\n-2.606475 2.606475 5.243851\n2.606475 -2.606475 5.243851\n2.606475 2.606475 -5.243851\nRb Ce\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Ce\n0.250000 0.750000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ce"
],
"chemical_system": "Ce-Rb",
"density": 5.8941885809750785,
"density_atomic": 0.028070007550482296,
"volume": 142.50085229960234,
"volume_molar": 21.454004774204375,
"formula_full": "Rb1 Ce3",
"formula_reduced": "RbCe3",
"formula_anonymous": "AB3",
"energy": -15.63778544,
"energy_per_atom": -3.90944636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.63778544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9576269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.628000Z",
"spacegroup": 139
},
{
"id": "mp-975929",
"created_at": "2022-09-04T14:40:15.247204Z",
"structure_string": "Li3 Ca1\n1.0\n0.000000 3.744267 3.744267\n3.744267 0.000000 3.744267\n3.744267 3.744267 0.000000\nLi Ca\n3 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ca"
],
"chemical_system": "Ca-Li",
"density": 0.9632590429376198,
"density_atomic": 0.03810040260040321,
"volume": 104.98576726214615,
"volume_molar": 15.805976706231101,
"formula_full": "Li3 Ca1",
"formula_reduced": "Li3Ca",
"formula_anonymous": "AB3",
"energy": -7.53757652,
"energy_per_atom": -1.88439413,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.53757652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0175672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.339000Z",
"spacegroup": 225
},
{
"id": "mp-974631",
"created_at": "2022-09-04T14:39:43.797207Z",
"structure_string": "K3 Tm1\n1.0\n6.074285 0.000000 0.000000\n0.000000 6.074285 0.000000\n0.000000 0.000000 6.074285\nK Tm\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 Tm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Tm"
],
"chemical_system": "K-Tm",
"density": 2.120691049104739,
"density_atomic": 0.01784738108656276,
"volume": 224.12251862608505,
"volume_molar": 33.74243386630015,
"formula_full": "K3 Tm1",
"formula_reduced": "K3Tm",
"formula_anonymous": "AB3",
"energy": -5.47012334,
"energy_per_atom": -1.367530835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.47012334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3682847,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.281000Z",
"spacegroup": 221
},
{
"id": "mp-1097665",
"created_at": "2022-09-04T14:39:42.508857Z",
"structure_string": "Mg1 Co2 Si1\n1.0\n-4.806080 5.105246 7.239519\n4.806080 -5.105246 7.239519\n4.806080 5.105246 -7.239519\nMg Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.281860 0.281860 Co\n0.000000 0.718140 0.718140 Co\n0.000000 0.500000 0.500000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Co",
"Si"
],
"chemical_system": "Co-Mg-Si",
"density": 0.39790227354223284,
"density_atomic": 0.00562966585569238,
"volume": 710.5217436582742,
"volume_molar": 106.9715488337691,
"formula_full": "Mg1 Co2 Si1",
"formula_reduced": "MgCo2Si",
"formula_anonymous": "ABC2",
"energy": -12.33188304,
"energy_per_atom": -3.08297076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.40288304,
"band_gap": 0.3609,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0008657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.705000Z",
"spacegroup": 71
},
{
"id": "mp-1016217",
"created_at": "2022-09-04T14:39:47.844649Z",
"structure_string": "Mg3 Zr1\n1.0\n3.032625 0.000000 0.000000\n0.000000 5.111978 0.000000\n0.000000 0.000000 5.842591\nMg Zr\n3 1\ndirect\n0.000000 0.000000 0.655952 Mg\n0.000000 0.500000 0.336591 Mg\n0.500000 0.500000 0.849465 Mg\n0.500000 0.000000 0.157992 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zr"
],
"chemical_system": "Mg-Zr",
"density": 3.009176824086753,
"density_atomic": 0.044161805329976794,
"volume": 90.57600725586329,
"volume_molar": 13.636536629339751,
"formula_full": "Mg3 Zr1",
"formula_reduced": "Mg3Zr",
"formula_anonymous": "AB3",
"energy": -12.93247222,
"energy_per_atom": -3.233118055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.93247222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.162000Z",
"spacegroup": 25
}
]
}