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&page=10120",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10118",
"results": [
{
"id": "mp-30182",
"created_at": "2022-09-04T14:47:39.559361Z",
"structure_string": "Th1 Al3 Ni2\n1.0\n2.654555 -4.597823 0.000000\n2.654555 4.597823 0.000000\n0.000000 0.000000 4.073312\nTh Al Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Th",
"density": 7.187351917248926,
"density_atomic": 0.060343375707808504,
"volume": 99.43096370764675,
"volume_molar": 9.97978765583167,
"formula_full": "Th1 Al3 Ni2",
"formula_reduced": "ThAl3Ni2",
"formula_anonymous": "AB2C3",
"energy": -34.13712687,
"energy_per_atom": -5.6895211450000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.13712687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.326000Z",
"spacegroup": 191
},
{
"id": "mp-28637",
"created_at": "2022-09-04T14:42:06.032315Z",
"structure_string": "Li4 Fe1 N2\n1.0\n-1.803264 3.162622 4.074134\n1.803264 -3.162622 4.074134\n1.803264 3.162622 -4.074134\nLi Fe N\n4 1 2\ndirect\n0.585896 0.251656 0.334240 Li\n0.414104 0.748344 0.665760 Li\n0.082583 0.748344 0.334240 Li\n0.917417 0.251656 0.665760 Li\n0.000000 0.000000 0.000000 Fe\n0.776803 0.776803 0.000000 N\n0.223197 0.223197 0.000000 N\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Fe",
"N"
],
"chemical_system": "Fe-Li-N",
"density": 1.9943370289829323,
"density_atomic": 0.07531754218594221,
"volume": 92.939835751923,
"volume_molar": 7.995668187276582,
"formula_full": "Li4 Fe1 N2",
"formula_reduced": "Li4FeN2",
"formula_anonymous": "AB2C4",
"energy": -34.13685859,
"energy_per_atom": -4.876694084285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.41485859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3742582,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.119000Z",
"spacegroup": 71
},
{
"id": "mp-1235608",
"created_at": "2022-09-04T14:48:19.445106Z",
"structure_string": "Sr2 Li1 Cu1 Br1 O2\n1.0\n4.117372 -0.014543 9.290120\n1.955022 3.623652 9.290120\n-0.024192 -0.014379 10.158920\nSr Li Cu Br O\n2 1 1 1 2\ndirect\n0.228467 0.228467 0.229625 Sr\n0.763682 0.763682 0.763414 Sr\n0.633264 0.633264 0.635092 Li\n0.502844 0.502844 0.503341 Cu\n0.999705 0.999705 0.001627 Br\n0.439896 0.439896 0.439856 O\n0.569642 0.569642 0.570795 O\n",
"nsites": 7,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Cu",
"Br",
"O"
],
"chemical_system": "Br-Cu-Li-O-Sr",
"density": 3.882297640870849,
"density_atomic": 0.0457619024240536,
"volume": 152.9656685846309,
"volume_molar": 13.159725538059389,
"formula_full": "Sr2 Li1 Cu1 Br1 O2",
"formula_reduced": "Sr2LiCuBrO2",
"formula_anonymous": "ABCD2E2",
"energy": -34.13648673,
"energy_per_atom": -4.8766409614285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.76248673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9622244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:50.333000Z",
"spacegroup": 160
},
{
"id": "mp-9978",
"created_at": "2022-09-04T14:47:07.153013Z",
"structure_string": "Er2 Se4\n1.0\n4.048683 0.000000 0.000000\n0.000000 4.048683 0.000000\n0.000000 0.000000 8.282225\nEr Se\n2 4\ndirect\n0.000000 0.500000 0.726076 Er\n0.500000 0.000000 0.273924 Er\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.000000 0.629569 Se\n0.000000 0.500000 0.370431 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Se"
],
"chemical_system": "Er-Se",
"density": 7.954758721170008,
"density_atomic": 0.044195360168348706,
"volume": 135.76085763629564,
"volume_molar": 13.626183239734889,
"formula_full": "Er2 Se4",
"formula_reduced": "ErSe2",
"formula_anonymous": "AB2",
"energy": -34.13605957,
"energy_per_atom": -5.689343261666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.24805957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000233,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.032000Z",
"spacegroup": 129
},
{
"id": "mp-1182880",
"created_at": "2022-09-04T14:40:11.043905Z",
"structure_string": "Al1 Cu3 Hg1 Se4\n1.0\n5.895845 0.000000 0.000000\n0.000000 5.895845 0.000000\n0.000000 0.000000 5.895845\nAl Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.236319 0.236319 0.236319 Se\n0.763681 0.763681 0.236319 Se\n0.236319 0.763681 0.763681 Se\n0.763681 0.236319 0.763681 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Al",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Al-Cu-Hg-Se",
"density": 5.947525255485975,
"density_atomic": 0.043914135425508094,
"volume": 204.94539885151042,
"volume_molar": 13.713444888868201,
"formula_full": "Al1 Cu3 Hg1 Se4",
"formula_reduced": "AlCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy": -34.13306963,
"energy_per_atom": -3.7925632922222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.24506963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0121324,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.233000Z",
"spacegroup": 215
},
{
"id": "mp-973965",
"created_at": "2022-09-04T14:39:22.361232Z",
"structure_string": "Nd6 Ag2\n1.0\n3.557858 -6.162390 0.000000\n3.557858 6.162390 0.000000\n0.000000 0.000000 5.435673\nNd Ag\n6 2\ndirect\n0.175139 0.350279 0.250000 Nd\n0.649721 0.824861 0.250000 Nd\n0.175139 0.824861 0.250000 Nd\n0.824861 0.649721 0.750000 Nd\n0.350279 0.175139 0.750000 Nd\n0.824861 0.175139 0.750000 Nd\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Ag"
],
"chemical_system": "Ag-Nd",
"density": 7.532330474408394,
"density_atomic": 0.033563626382525476,
"volume": 238.35326698086203,
"volume_molar": 17.942461554557642,
"formula_full": "Nd6 Ag2",
"formula_reduced": "Nd3Ag",
"formula_anonymous": "AB3",
"energy": -34.13145406,
"energy_per_atom": -4.2664317575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.13145406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0127773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.903000Z",
"spacegroup": 194
},
{
"id": "mp-676540",
"created_at": "2022-09-04T14:45:56.694762Z",
"structure_string": "Tl2 Sb2 S4\n1.0\n-6.350929 0.000000 0.000000\n-0.135004 -6.475685 0.000000\n2.490647 2.808300 5.943902\nTl Sb S\n2 2 4\ndirect\n0.129356 0.385981 0.743675 Tl\n0.870644 0.614019 0.256325 Tl\n0.590698 0.914226 0.751098 Sb\n0.409302 0.085774 0.248902 Sb\n0.217697 0.908081 0.790314 S\n0.782303 0.091919 0.209686 S\n0.628858 0.278875 0.730030 S\n0.371142 0.721125 0.269970 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"S"
],
"chemical_system": "S-Sb-Tl",
"density": 5.302166004048092,
"density_atomic": 0.03272618446642269,
"volume": 244.45257308281873,
"volume_molar": 18.40159755311152,
"formula_full": "Tl2 Sb2 S4",
"formula_reduced": "TlSbS2",
"formula_anonymous": "ABC2",
"energy": -34.13097087,
"energy_per_atom": -4.26637135875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.11897087,
"band_gap": 1.2674000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.35e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.267000Z",
"spacegroup": 2
},
{
"id": "mp-568552",
"created_at": "2022-09-04T14:42:29.054831Z",
"structure_string": "Lu1 Ni4 Sn1\n1.0\n0.000000 3.495470 3.495470\n3.495470 0.000000 3.495470\n3.495470 3.495470 0.000000\nLu Ni Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.375207 0.375207 0.874379 Ni\n0.375207 0.375207 0.375207 Ni\n0.874379 0.375207 0.375207 Ni\n0.375207 0.874379 0.375207 Ni\n0.750000 0.750000 0.750000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Sn"
],
"chemical_system": "Lu-Ni-Sn",
"density": 10.273224048506128,
"density_atomic": 0.07024323707892562,
"volume": 85.41747575298065,
"volume_molar": 8.573267705805609,
"formula_full": "Lu1 Ni4 Sn1",
"formula_reduced": "LuNi4Sn",
"formula_anonymous": "ABC4",
"energy": -34.13090196,
"energy_per_atom": -5.68848366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.13090196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0222538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.382000Z",
"spacegroup": 216
},
{
"id": "mp-10166",
"created_at": "2022-09-04T14:46:27.581426Z",
"structure_string": "Na2 Al2 Se4\n1.0\n-3.853447 3.853447 3.190617\n3.853447 -3.853447 3.190617\n3.853447 3.853447 -3.190617\nNa Al Se\n2 2 4\ndirect\n0.750000 0.750000 0.000000 Na\n0.250000 0.250000 0.000000 Na\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.168544 0.331456 0.500000 Se\n0.668544 0.168544 0.837088 Se\n0.331456 0.831456 0.162912 Se\n0.831456 0.668544 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Al",
"Se"
],
"chemical_system": "Al-Na-Se",
"density": 3.6431913171265307,
"density_atomic": 0.042214003382174875,
"volume": 189.51057372061635,
"volume_molar": 14.265741880673858,
"formula_full": "Na2 Al2 Se4",
"formula_reduced": "NaAlSe2",
"formula_anonymous": "ABC2",
"energy": -34.12864987,
"energy_per_atom": -4.26608123375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.24064987,
"band_gap": 2.1497999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002854,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.234000Z",
"spacegroup": 140
},
{
"id": "mp-1016999",
"created_at": "2022-09-04T14:47:05.641101Z",
"structure_string": "Sr1 Ge1 O3\n1.0\n3.856810 0.000000 0.000000\n0.000000 3.856810 0.000000\n0.000000 0.000000 3.856810\nSr Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"O"
],
"chemical_system": "Ge-O-Sr",
"density": 6.027906042529566,
"density_atomic": 0.0871535879228583,
"volume": 57.36998463477624,
"volume_molar": 6.909802457393195,
"formula_full": "Sr1 Ge1 O3",
"formula_reduced": "SrGeO3",
"formula_anonymous": "ABC3",
"energy": -34.12384665,
"energy_per_atom": -6.82476933,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.06284665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001808,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.318000Z",
"spacegroup": 221
},
{
"id": "mp-1079481",
"created_at": "2022-09-04T14:40:43.957960Z",
"structure_string": "Al2 S2 Br6\n1.0\n3.967391 -6.871723 0.000000\n3.967391 6.871723 0.000000\n0.000000 0.000000 6.968014\nAl S Br\n2 2 6\ndirect\n0.333333 0.666667 0.830613 Al\n0.666667 0.333333 0.169387 Al\n0.333333 0.666667 0.159616 S\n0.666667 0.333333 0.840384 S\n0.171347 0.342694 0.747861 Br\n0.171347 0.828653 0.747861 Br\n0.657306 0.828653 0.747861 Br\n0.828653 0.657306 0.252139 Br\n0.828653 0.171347 0.252139 Br\n0.342694 0.171347 0.252139 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"S",
"Br"
],
"chemical_system": "Al-Br-S",
"density": 2.6114983800174425,
"density_atomic": 0.026320270071792117,
"volume": 379.93531117741725,
"volume_molar": 22.88023923604808,
"formula_full": "Al2 S2 Br6",
"formula_reduced": "AlSBr3",
"formula_anonymous": "ABC3",
"energy": -34.11953277,
"energy_per_atom": -3.411953277,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.90953277,
"band_gap": 0.1478999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9953167,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.306000Z",
"spacegroup": 164
},
{
"id": "mp-1206341",
"created_at": "2022-09-04T14:47:16.937780Z",
"structure_string": "Nd1 Sb1 O3\n1.0\n4.281575 0.000000 0.000000\n0.000000 4.281575 0.000000\n0.000000 0.000000 4.281575\nNd Sb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Sb",
"O"
],
"chemical_system": "Nd-O-Sb",
"density": 6.643062743880359,
"density_atomic": 0.06370291951244679,
"volume": 78.48933829513199,
"volume_molar": 9.453476867450865,
"formula_full": "Nd1 Sb1 O3",
"formula_reduced": "NdSbO3",
"formula_anonymous": "ABC3",
"energy": -34.11852893,
"energy_per_atom": -6.823705786,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.05752893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.970000Z",
"spacegroup": 221
}
]
}