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=120",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=118",
"results": [
{
"id": "mp-978269",
"created_at": "2022-09-04T14:45:05.094193Z",
"structure_string": "Mg2 Zn4\n1.0\n0.000000 3.701113 3.701113\n3.701113 0.000000 3.701113\n3.701113 3.701113 0.000000\nMg Zn\n2 4\ndirect\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.125000 0.125000 0.125000 Zn\n0.625000 0.125000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.125000 0.625000 0.125000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.080755055416815,
"density_atomic": 0.0591730861085242,
"volume": 101.39744932342929,
"volume_molar": 10.177161875510965,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -9.03812273,
"energy_per_atom": -1.5063537883333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.03812273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001918,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.075000Z",
"spacegroup": 227
},
{
"id": "mp-1206995",
"created_at": "2022-09-04T14:48:01.778084Z",
"structure_string": "K2 Ag1\n1.0\n2.996478 -5.190051 0.000000\n2.996478 5.190051 0.000000\n0.000000 0.000000 3.915900\nK Ag\n2 1\ndirect\n0.333333 0.666667 0.500000 K\n0.666667 0.333333 0.500000 K\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"Ag"
],
"chemical_system": "Ag-K",
"density": 2.536699425771011,
"density_atomic": 0.024630710934712075,
"volume": 121.79916397671244,
"volume_molar": 24.449723663936126,
"formula_full": "K2 Ag1",
"formula_reduced": "K2Ag",
"formula_anonymous": "AB2",
"energy": -4.519296,
"energy_per_atom": -1.506432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.519296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.124000Z",
"spacegroup": 191
},
{
"id": "mp-1183939",
"created_at": "2022-09-04T14:48:09.505976Z",
"structure_string": "Cs1 Ba3\n1.0\n6.604371 0.000000 0.000000\n0.000000 6.604371 0.000000\n0.000000 0.000000 6.604371\nCs Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Ba"
],
"chemical_system": "Ba-Cs",
"density": 3.1409478226708276,
"density_atomic": 0.013885630555517905,
"volume": 288.0675806552026,
"volume_molar": 43.36958797745708,
"formula_full": "Cs1 Ba3",
"formula_reduced": "CsBa3",
"formula_anonymous": "AB3",
"energy": -6.02643967,
"energy_per_atom": -1.5066099175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.02643967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0603924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.525000Z",
"spacegroup": 221
},
{
"id": "mp-1094475",
"created_at": "2022-09-04T14:44:26.566055Z",
"structure_string": "Mg3 Zn3\n1.0\n1.520385 -7.553741 0.000000\n1.520385 7.553741 0.000000\n0.000000 0.000000 4.719902\nMg Zn\n3 3\ndirect\n0.325000 0.675000 0.000000 Mg\n0.120547 0.879453 0.500000 Mg\n0.444401 0.555599 0.500000 Mg\n0.003559 0.996441 0.000000 Zn\n0.662853 0.337147 0.000000 Zn\n0.776973 0.223027 0.500000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.122417088114262,
"density_atomic": 0.05534426284555958,
"volume": 108.41232119656638,
"volume_molar": 10.881237639400908,
"formula_full": "Mg3 Zn3",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -9.03995537,
"energy_per_atom": -1.5066592283333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.03995537,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.102000Z",
"spacegroup": 38
},
{
"id": "mp-1183954",
"created_at": "2022-09-04T14:42:10.192548Z",
"structure_string": "Cs1 Ba3\n1.0\n-3.246471 3.246471 6.803383\n3.246471 -3.246471 6.803383\n3.246471 3.246471 -6.803383\nCs Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Ba"
],
"chemical_system": "Ba-Cs",
"density": 3.1546206351452257,
"density_atomic": 0.013946075883932475,
"volume": 286.8190330592186,
"volume_molar": 43.181614743242704,
"formula_full": "Cs1 Ba3",
"formula_reduced": "CsBa3",
"formula_anonymous": "AB3",
"energy": -6.02830674,
"energy_per_atom": -1.507076685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.02830674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019537,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.132000Z",
"spacegroup": 139
},
{
"id": "mp-1028248",
"created_at": "2022-09-04T14:42:29.530244Z",
"structure_string": "Cs1 Mg14 Al1\n1.0\n6.505713 0.000000 -0.000000\n-3.252857 5.634112 -0.000000\n-0.000000 -0.000000 10.814368\nCs Mg Al\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Cs\n0.161011 0.830505 0.125000 Mg\n0.172131 0.836065 0.625000 Mg\n0.669495 0.338989 0.125000 Mg\n0.663935 0.327869 0.625000 Mg\n0.669495 0.830505 0.125000 Mg\n0.663935 0.836065 0.625000 Mg\n0.336620 0.163380 0.354813 Mg\n0.336620 0.163380 0.895187 Mg\n0.336620 0.673241 0.354813 Mg\n0.336620 0.673241 0.895187 Mg\n0.826759 0.163380 0.354813 Mg\n0.826759 0.163380 0.895187 Mg\n0.833333 0.666667 0.380084 Mg\n0.833333 0.666667 0.869916 Mg\n0.166667 0.333333 0.125000 Al\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Al"
],
"chemical_system": "Al-Cs-Mg",
"density": 2.0952406926202465,
"density_atomic": 0.04036439636694262,
"volume": 396.3889328245617,
"volume_molar": 14.919437182348096,
"formula_full": "Cs1 Mg14 Al1",
"formula_reduced": "CsMg14Al",
"formula_anonymous": "ABC14",
"energy": -24.12126101,
"energy_per_atom": -1.507578813125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.12126101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.444000Z",
"spacegroup": 187
},
{
"id": "mp-1094318",
"created_at": "2022-09-04T14:47:55.254853Z",
"structure_string": "Sr1 Mg1\n1.0\n5.646834 -2.041807 0.000000\n5.646834 2.041807 0.000000\n4.908548 0.000000 3.458592\nSr Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.3303822457427046,
"density_atomic": 0.025077310544234604,
"volume": 79.75336894569062,
"volume_molar": 24.014300693758088,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -3.01583774,
"energy_per_atom": -1.50791887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01583774,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0111156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.194000Z",
"spacegroup": 166
},
{
"id": "mp-1221252",
"created_at": "2022-09-04T14:42:11.477693Z",
"structure_string": "Na2 Tl1 Hg1\n1.0\n0.000000 3.786500 3.786500\n3.786500 0.000000 3.786500\n3.786500 3.786500 0.000000\nNa Tl Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Hg"
],
"chemical_system": "Hg-Na-Tl",
"density": 6.896620731003762,
"density_atomic": 0.036839702313363316,
"volume": 108.57851037925002,
"volume_molar": 16.346876825374117,
"formula_full": "Na2 Tl1 Hg1",
"formula_reduced": "Na2TlHg",
"formula_anonymous": "ABC2",
"energy": -6.03197647,
"energy_per_atom": -1.5079941175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.03197647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074539,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.861000Z",
"spacegroup": 216
},
{
"id": "mp-1094779",
"created_at": "2022-09-04T14:43:35.940200Z",
"structure_string": "Mg1 Zn1\n1.0\n3.297799 0.000000 0.000000\n0.000000 3.297799 0.000000\n0.000000 0.000000 3.297799\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.1537157392592,
"density_atomic": 0.05576445341304758,
"volume": 35.86514127890737,
"volume_molar": 10.799246457943331,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -3.01631195,
"energy_per_atom": -1.508155975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01631195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003387,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.620000Z",
"spacegroup": 221
},
{
"id": "mp-1016338",
"created_at": "2022-09-04T14:41:46.371219Z",
"structure_string": "Sr2 Mg12 Cd2\n1.0\n5.246933 0.000000 0.000000\n0.000000 6.682835 0.000000\n0.000000 0.000000 11.877265\nSr Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.168733 Sr\n0.500000 0.500000 0.668733 Sr\n0.500000 0.243699 0.418922 Mg\n0.500000 0.756301 0.418922 Mg\n0.000000 0.736434 0.079335 Mg\n0.000000 0.263566 0.079335 Mg\n0.000000 0.000000 0.341889 Mg\n0.000000 0.500000 0.332251 Mg\n0.500000 0.743699 0.918922 Mg\n0.500000 0.256301 0.918922 Mg\n0.000000 0.236434 0.579335 Mg\n0.000000 0.763566 0.579335 Mg\n0.000000 0.500000 0.841889 Mg\n0.000000 0.000000 0.832251 Mg\n0.500000 0.500000 0.160610 Cd\n0.500000 0.000000 0.660610 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Sr",
"density": 2.7580236286696627,
"density_atomic": 0.038418223545284305,
"volume": 416.46902234145443,
"volume_molar": 15.675219216998896,
"formula_full": "Sr2 Mg12 Cd2",
"formula_reduced": "SrMg6Cd",
"formula_anonymous": "ABC6",
"energy": -24.13414497,
"energy_per_atom": -1.508384060625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.13414497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.739000Z",
"spacegroup": 38
},
{
"id": "mp-1187925",
"created_at": "2022-09-04T14:45:56.651174Z",
"structure_string": "Yb3 Cd1\n1.0\n5.097440 0.000000 0.000000\n0.000000 5.097440 0.000000\n0.000000 0.000000 5.097440\nYb Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Cd"
],
"chemical_system": "Cd-Yb",
"density": 7.917487810447836,
"density_atomic": 0.030199769180976603,
"volume": 132.45134345330277,
"volume_molar": 19.941015853172345,
"formula_full": "Yb3 Cd1",
"formula_reduced": "Yb3Cd",
"formula_anonymous": "AB3",
"energy": -6.03401063,
"energy_per_atom": -1.5085026575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.03401063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3378707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.046000Z",
"spacegroup": 221
},
{
"id": "mp-1026866",
"created_at": "2022-09-04T14:45:23.549965Z",
"structure_string": "Cs1 Mg14 Cu1\n1.0\n6.488309 0.000000 0.000000\n-3.244155 5.619040 -0.000000\n-0.000000 -0.000000 10.770608\nCs Mg Cu\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Cs\n0.154414 0.827206 0.125000 Mg\n0.172636 0.836318 0.625000 Mg\n0.672794 0.345586 0.125000 Mg\n0.663682 0.327364 0.625000 Mg\n0.672794 0.827206 0.125000 Mg\n0.663682 0.836318 0.625000 Mg\n0.332818 0.167182 0.342643 Mg\n0.332818 0.167182 0.907357 Mg\n0.332818 0.665637 0.342643 Mg\n0.332818 0.665637 0.907357 Mg\n0.834363 0.167182 0.342643 Mg\n0.834363 0.167182 0.907357 Mg\n0.833333 0.666667 0.380791 Mg\n0.833333 0.666667 0.869209 Mg\n0.166667 0.333333 0.125000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Cu"
],
"chemical_system": "Cs-Cu-Mg",
"density": 2.269677659960681,
"density_atomic": 0.040746106359484946,
"volume": 392.67555674741163,
"volume_molar": 14.779671723401755,
"formula_full": "Cs1 Mg14 Cu1",
"formula_reduced": "CsMg14Cu",
"formula_anonymous": "ABC14",
"energy": -24.13611817,
"energy_per_atom": -1.508507385625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.13611817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.029000Z",
"spacegroup": 187
}
]
}