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=nelements&page=61",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=59",
"results": [
{
"id": "mp-1178952",
"created_at": "2022-09-04T14:45:24.865588Z",
"structure_string": "Te4\n1.0\n3.130769 0.000000 0.000000\n0.000000 4.742908 0.000000\n0.000000 0.000000 8.985613\nTe\n4\ndirect\n0.500000 0.545271 0.760814 Te\n0.500000 0.454729 0.260814 Te\n0.500000 0.987468 0.009186 Te\n0.500000 0.012532 0.509186 Te\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.352085390179579,
"density_atomic": 0.02997895952384046,
"volume": 133.42691219216735,
"volume_molar": 20.087891159834797,
"formula_full": "Te4",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -12.37668086,
"energy_per_atom": -3.094170215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.37668086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.527000Z",
"spacegroup": 26
},
{
"id": "mp-21848",
"created_at": "2022-09-04T14:44:23.143000Z",
"structure_string": "F8\n1.0\n4.462100 0.000000 0.000000\n0.000000 4.462100 0.000000\n0.000000 0.000000 4.462100\nF\n8\ndirect\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n0.250000 0.500000 0.000000 F\n0.750000 0.500000 0.000000 F\n0.500000 0.000000 0.250000 F\n0.500000 0.000000 0.750000 F\n0.000000 0.750000 0.500000 F\n0.000000 0.250000 0.500000 F\n",
"nsites": 8,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 2.840784487651501,
"density_atomic": 0.09004758915409188,
"volume": 88.84191209506102,
"volume_molar": 6.6877312503000494,
"formula_full": "F8",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy": -9.20466202,
"energy_per_atom": -1.1505827525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.20466202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9212753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.188000Z",
"spacegroup": 223
},
{
"id": "mp-4",
"created_at": "2022-09-04T14:45:56.396145Z",
"structure_string": "Nd1\n1.0\n-2.066667 2.066667 2.066667\n2.066667 -2.066667 2.066667\n2.066667 2.066667 -2.066667\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.783742073945273,
"density_atomic": 0.028322298403343386,
"volume": 35.307868936299045,
"volume_molar": 21.262895667002432,
"formula_full": "Nd1",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -4.62818377,
"energy_per_atom": -4.62818377,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.62818377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5567615,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.846000Z",
"spacegroup": 229
},
{
"id": "mp-729184",
"created_at": "2022-09-04T14:46:01.480229Z",
"structure_string": "B40\n1.0\n5.198302 0.000000 0.000000\n0.000000 11.824588 0.000000\n0.000000 4.612363 11.206722\nB\n40\ndirect\n0.021152 0.205527 0.141235 B\n0.978848 0.794473 0.858765 B\n0.978848 0.705527 0.641235 B\n0.021152 0.294473 0.358765 B\n0.830197 0.322558 0.136969 B\n0.169803 0.677442 0.863031 B\n0.169803 0.822558 0.636969 B\n0.830197 0.177442 0.363031 B\n0.129712 0.342279 0.103077 B\n0.870288 0.657721 0.896923 B\n0.870288 0.842279 0.603077 B\n0.129712 0.157721 0.396923 B\n0.029288 0.392191 0.200900 B\n0.970712 0.607809 0.799100 B\n0.970712 0.892191 0.700900 B\n0.029288 0.107809 0.299100 B\n0.769995 0.325320 0.272605 B\n0.230005 0.674680 0.727395 B\n0.230005 0.825320 0.772605 B\n0.769995 0.174680 0.227395 B\n0.520694 0.632995 0.215925 B\n0.479306 0.367005 0.784075 B\n0.479306 0.132995 0.715925 B\n0.520694 0.867005 0.284075 B\n0.328565 0.636624 0.326816 B\n0.671435 0.363376 0.673184 B\n0.671435 0.136624 0.826816 B\n0.328565 0.863376 0.173184 B\n0.627088 0.601705 0.348618 B\n0.372912 0.398295 0.651382 B\n0.372912 0.101705 0.848618 B\n0.627088 0.898295 0.151382 B\n0.527466 0.708682 0.388436 B\n0.472534 0.291318 0.611564 B\n0.472534 0.208682 0.888436 B\n0.527466 0.791318 0.111564 B\n0.269063 0.720968 0.180416 B\n0.730937 0.279032 0.819584 B\n0.730937 0.220968 0.680416 B\n0.269063 0.779032 0.319584 B\n",
"nsites": 40,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 1.0424346366010313,
"density_atomic": 0.058067598898161994,
"volume": 688.8523162487112,
"volume_molar": 10.370914028254436,
"formula_full": "B40",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -207.23106769,
"energy_per_atom": -5.18077669225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -207.23106769,
"band_gap": 0.5116,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007432,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.574000Z",
"spacegroup": 13
},
{
"id": "mp-999498",
"created_at": "2022-09-04T14:46:24.608362Z",
"structure_string": "N4\n1.0\n-1.902148 1.902148 1.902148\n1.902148 -1.902148 1.902148\n1.902148 1.902148 -1.902148\nN\n4\ndirect\n0.328702 0.328702 0.328702 N\n0.500000 0.000000 0.171298 N\n0.000000 0.171298 0.500000 N\n0.171298 0.500000 0.000000 N\n",
"nsites": 4,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 3.379496565757236,
"density_atomic": 0.14530049207850398,
"volume": 27.529156596653863,
"volume_molar": 4.144611400728302,
"formula_full": "N4",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -27.37226736,
"energy_per_atom": -6.84306684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.37226736,
"band_gap": 3.9594,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.472000Z",
"spacegroup": 199
},
{
"id": "mp-154",
"created_at": "2022-09-04T14:46:29.994195Z",
"structure_string": "N8\n1.0\n5.872462 0.000000 0.000000\n0.000000 5.872462 0.000000\n0.000000 0.000000 5.872462\nN\n8\ndirect\n0.063953 0.063953 0.063953 N\n0.436047 0.936047 0.563953 N\n0.563953 0.436047 0.936047 N\n0.936047 0.563953 0.436047 N\n0.954523 0.954523 0.954523 N\n0.545477 0.045477 0.454523 N\n0.454523 0.545477 0.045477 N\n0.045477 0.454523 0.545477 N\n",
"nsites": 8,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 0.9187857815935583,
"density_atomic": 0.03950293293177644,
"volume": 202.51660842035207,
"volume_molar": 15.244794026814517,
"formula_full": "N8",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -66.69154488,
"energy_per_atom": -8.33644311,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.69154488,
"band_gap": 7.376399999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.345000Z",
"spacegroup": 198
},
{
"id": "mp-10752",
"created_at": "2022-09-04T14:47:05.919791Z",
"structure_string": "Er1\n1.0\n0.000000 2.479631 2.479631\n2.479631 0.000000 2.479631\n2.479631 2.479631 0.000000\nEr\n1\ndirect\n0.000000 0.000000 0.000000 Er\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 9.108511817257998,
"density_atomic": 0.032795090426588104,
"volume": 30.49236904037519,
"volume_molar": 18.36293384670055,
"formula_full": "Er1",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -4.5408031,
"energy_per_atom": -4.5408031,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.5408031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.704000Z",
"spacegroup": 225
},
{
"id": "mp-570459",
"created_at": "2022-09-04T14:47:09.689888Z",
"structure_string": "Te3\n1.0\n2.156428 3.810300 0.000000\n-2.156428 3.810300 0.000000\n0.000000 0.082601 6.003994\nTe\n3\ndirect\n0.313229 0.313229 0.662325 Te\n0.686771 0.686771 0.337675 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.4425329489238905,
"density_atomic": 0.03040583094260601,
"volume": 98.66528580201589,
"volume_molar": 19.805874640845637,
"formula_full": "Te3",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -9.29897096,
"energy_per_atom": -3.0996569866666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.29897096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012314,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.743000Z",
"spacegroup": 12
},
{
"id": "mp-672241",
"created_at": "2022-09-04T14:47:28.577637Z",
"structure_string": "Cs8\n1.0\n10.451807 0.000000 0.000000\n0.000000 10.451807 0.000000\n0.000000 0.000000 8.589615\nCs\n8\ndirect\n0.745934 0.438324 0.000000 Cs\n0.254066 0.561676 0.000000 Cs\n0.561676 0.745934 0.500000 Cs\n0.438324 0.254066 0.500000 Cs\n0.754066 0.938324 0.000000 Cs\n0.245934 0.061676 0.000000 Cs\n0.061676 0.754066 0.500000 Cs\n0.938324 0.245934 0.500000 Cs\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8815918325523924,
"density_atomic": 0.008525768288977678,
"volume": 938.3318580617064,
"volume_molar": 70.63458161049921,
"formula_full": "Cs8",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -6.63945841,
"energy_per_atom": -0.82993230125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.63945841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.040847,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.112000Z",
"spacegroup": 135
},
{
"id": "mp-1227541",
"created_at": "2022-09-04T14:47:28.967368Z",
"structure_string": "Ca1\n1.0\n3.629484 0.000000 -0.060509\n0.000000 3.625656 0.000000\n-0.007781 0.000000 22.217814\nCa\n1\ndirect\n0.000000 0.500000 0.250000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 0.22762757150769555,
"density_atomic": 0.003420343522506185,
"volume": 292.3682938336179,
"volume_molar": 176.06830192270866,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.03268839,
"energy_per_atom": -1.03268839,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.03268839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.019000Z",
"spacegroup": 123
},
{
"id": "mp-570752",
"created_at": "2022-09-04T14:39:08.729714Z",
"structure_string": "H2\n1.0\n2.565599 -4.443747 0.000000\n2.565599 4.443747 0.000000\n0.000000 0.000000 3.811892\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.03851279942818898,
"density_atomic": 0.02301024855629813,
"volume": 86.91779209193203,
"volume_molar": 26.17155892630148,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -2.22412334,
"energy_per_atom": -1.11206167,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.22412334,
"band_gap": 6.6359,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.676000Z",
"spacegroup": 194
},
{
"id": "mp-1102666",
"created_at": "2022-09-04T14:39:09.732781Z",
"structure_string": "Pb12\n1.0\n0.000000 0.000000 7.691092\n7.273267 0.000000 0.000000\n0.000000 7.273267 0.000000\nPb\n12\ndirect\n0.750000 0.341156 0.342564 Pb\n0.750000 0.158844 0.842564 Pb\n0.750000 0.658844 0.657436 Pb\n0.750000 0.841156 0.157436 Pb\n0.250000 0.657436 0.341156 Pb\n0.250000 0.842564 0.841156 Pb\n0.250000 0.342564 0.658844 Pb\n0.250000 0.157436 0.158844 Pb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.14782634610308,
"density_atomic": 0.029494034114569554,
"volume": 406.8619420926282,
"volume_molar": 20.418165709739803,
"formula_full": "Pb12",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -43.16065786,
"energy_per_atom": -3.5967214883333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.16065786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.797000Z",
"spacegroup": 140
}
]
}