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=47",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=45",
"results": [
{
"id": "mp-1067619",
"created_at": "2022-09-04T14:41:47.039466Z",
"structure_string": "Ge4\n1.0\n2.025202 -3.507754 0.000000\n2.025202 3.507754 0.000000\n0.000000 0.000000 10.993359\nGe\n4\ndirect\n0.000000 0.000000 0.477452 Ge\n0.000000 0.000000 0.977452 Ge\n0.666667 0.333333 0.414848 Ge\n0.333333 0.666667 0.914848 Ge\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 3.0890649653867857,
"density_atomic": 0.025609559533001754,
"volume": 156.1916750206266,
"volume_molar": 23.515206312859736,
"formula_full": "Ge4",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -16.58752852,
"energy_per_atom": -4.14688213,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.58752852,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.733000Z",
"spacegroup": 186
},
{
"id": "mp-994911",
"created_at": "2022-09-04T14:39:22.556147Z",
"structure_string": "S8\n1.0\n16.929711 0.000000 0.000000\n0.000000 16.929711 0.000000\n0.000000 0.000000 20.448418\nS\n8\ndirect\n0.359488 0.500000 0.416253 S\n0.400785 0.400785 0.463747 S\n0.400785 0.599215 0.463747 S\n0.500000 0.359488 0.416253 S\n0.500000 0.640512 0.416253 S\n0.599215 0.400785 0.463747 S\n0.599215 0.599215 0.463747 S\n0.640512 0.500000 0.416253 S\n",
"nsites": 8,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 0.07267943213881507,
"density_atomic": 0.0013649953870203248,
"volume": 5860.825667303798,
"volume_molar": 441.18396422905505,
"formula_full": "S8",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -33.00683176,
"energy_per_atom": -4.12585397,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.00683176,
"band_gap": 3.3265,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.02e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.815000Z",
"spacegroup": 99
},
{
"id": "mp-971662",
"created_at": "2022-09-04T14:39:21.492207Z",
"structure_string": "Si46\n1.0\n10.227360 0.000000 0.000000\n0.000000 10.227360 0.000000\n0.000000 0.000000 10.227360\nSi\n46\ndirect\n0.000000 0.882820 0.307890 Si\n0.000000 0.117180 0.692110 Si\n0.000000 0.117180 0.307890 Si\n0.000000 0.882820 0.692110 Si\n0.307890 0.000000 0.882820 Si\n0.382820 0.500000 0.192110 Si\n0.692110 0.000000 0.117180 Si\n0.617180 0.500000 0.807890 Si\n0.307890 0.000000 0.117180 Si\n0.617180 0.500000 0.192110 Si\n0.692110 0.000000 0.882820 Si\n0.382820 0.500000 0.807890 Si\n0.882820 0.307890 0.000000 Si\n0.500000 0.807890 0.617180 Si\n0.117180 0.692110 0.000000 Si\n0.500000 0.192110 0.382820 Si\n0.882820 0.692110 0.000000 Si\n0.500000 0.192110 0.617180 Si\n0.117180 0.307890 0.000000 Si\n0.500000 0.807890 0.382820 Si\n0.192110 0.382820 0.500000 Si\n0.807890 0.617180 0.500000 Si\n0.192110 0.617180 0.500000 Si\n0.807890 0.382820 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.816380 0.816380 0.816380 Si\n0.183620 0.183620 0.183620 Si\n0.183620 0.183620 0.816380 Si\n0.183620 0.816380 0.183620 Si\n0.316380 0.316380 0.683620 Si\n0.816380 0.816380 0.183620 Si\n0.816380 0.183620 0.816380 Si\n0.683620 0.683620 0.316380 Si\n0.816380 0.183620 0.183620 Si\n0.683620 0.683620 0.683620 Si\n0.183620 0.816380 0.816380 Si\n0.316380 0.316380 0.316380 Si\n0.316380 0.683620 0.316380 Si\n0.683620 0.316380 0.683620 Si\n0.683620 0.316380 0.316380 Si\n0.316380 0.683620 0.683620 Si\n",
"nsites": 46,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.0053882191996553,
"density_atomic": 0.04299987587416823,
"volume": 1069.770529910624,
"volume_molar": 14.005018939177322,
"formula_full": "Si46",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -246.62492791,
"energy_per_atom": -5.3614114763043474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.62492791,
"band_gap": 1.3094,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.851000Z",
"spacegroup": 223
},
{
"id": "mp-13",
"created_at": "2022-09-04T14:39:29.027124Z",
"structure_string": "Fe1\n1.0\n2.318956 0.000185 -0.819712\n-1.159251 2.008215 -0.819524\n0.000025 0.000273 2.459206\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.096264696014796,
"density_atomic": 0.08730745034733464,
"volume": 11.453776235839058,
"volume_molar": 6.897625272576577,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -8.47000845,
"energy_per_atom": -8.47000845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.47000845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1850741,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.624000Z",
"spacegroup": 229
},
{
"id": "mp-148",
"created_at": "2022-09-04T14:40:37.197396Z",
"structure_string": "Ge4\n1.0\n0.000000 2.885740 5.115665\n2.630497 0.000000 5.115665\n2.630497 2.885740 0.000000\nGe\n4\ndirect\n0.781867 0.781867 0.218133 Ge\n0.218133 0.218133 0.781867 Ge\n0.273510 0.726490 0.273510 Ge\n0.726490 0.273510 0.726490 Ge\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.212377263000351,
"density_atomic": 0.051503042875743914,
"volume": 77.66531406018841,
"volume_molar": 11.692786336001543,
"formula_full": "Ge4",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -17.51967344,
"energy_per_atom": -4.37991836,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.51967344,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.422000Z",
"spacegroup": 69
},
{
"id": "mp-128",
"created_at": "2022-09-04T14:41:48.483009Z",
"structure_string": "Ge8\n1.0\n3.511326 -5.012402 0.000000\n3.511326 5.012402 0.000000\n-3.643856 0.000000 4.916898\nGe\n8\ndirect\n0.285519 0.285519 0.285519 Ge\n0.714481 0.714481 0.714481 Ge\n0.973070 0.469947 0.278233 Ge\n0.469947 0.278233 0.973070 Ge\n0.278233 0.973070 0.469947 Ge\n0.026930 0.530053 0.721767 Ge\n0.530053 0.721767 0.026930 Ge\n0.721767 0.026930 0.530053 Ge\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.575408314245141,
"density_atomic": 0.04622232058708929,
"volume": 173.07655475511848,
"volume_molar": 13.028642187389636,
"formula_full": "Ge8",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -35.80346761,
"energy_per_atom": -4.47543345125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.80346761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058594,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.585000Z",
"spacegroup": 148
},
{
"id": "mp-988210",
"created_at": "2022-09-04T14:43:05.256663Z",
"structure_string": "Si8\n1.0\n-3.974623 0.000000 0.000000\n1.976217 5.084593 0.000000\n-0.110606 -2.650884 -8.615209\nSi\n8\ndirect\n0.094740 0.909988 0.917667 Si\n0.000724 0.270713 0.940289 Si\n0.566595 0.244351 0.759282 Si\n0.125707 0.990164 0.371541 Si\n0.841008 0.871147 0.198355 Si\n0.286715 0.524582 0.317670 Si\n0.567874 0.643991 0.488678 Si\n0.509253 0.566510 0.999908 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.142906835476681,
"density_atomic": 0.04594857347480511,
"volume": 174.1076902939462,
"volume_molar": 13.106262729357873,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -27.72556029,
"energy_per_atom": -3.46569503625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.72556029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.555000Z",
"spacegroup": 1
},
{
"id": "mp-1184687",
"created_at": "2022-09-04T14:44:08.314888Z",
"structure_string": "Hg2\n1.0\n0.000000 2.970073 6.035906\n1.839716 0.000000 6.035906\n1.839716 2.970073 0.000000\nHg\n2\ndirect\n0.365981 0.365981 0.634019 Hg\n0.634019 0.634019 0.365981 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.099456407188216,
"density_atomic": 0.03032072790497509,
"volume": 65.96147712112926,
"volume_molar": 19.861464998048,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.56896506,
"energy_per_atom": -0.28448253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.56896506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.079000Z",
"spacegroup": 69
},
{
"id": "mp-7761",
"created_at": "2022-09-04T14:45:25.947961Z",
"structure_string": "Sb1\n1.0\n-1.892661 1.892661 1.892661\n1.892661 -1.892661 1.892661\n1.892661 1.892661 -1.892661\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.455473759771788,
"density_atomic": 0.036874106791514365,
"volume": 27.119300967857598,
"volume_molar": 16.33162477412427,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -3.8904761,
"energy_per_atom": -3.8904761,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8904761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.477000Z",
"spacegroup": 229
},
{
"id": "mp-604313",
"created_at": "2022-09-04T14:46:53.760565Z",
"structure_string": "Li4\n1.0\n4.457586 0.000000 0.000000\n0.000000 4.457586 0.000000\n0.000000 0.000000 4.457586\nLi\n4\ndirect\n0.875000 0.125000 0.625000 Li\n0.375000 0.375000 0.375000 Li\n0.125000 0.625000 0.875000 Li\n0.625000 0.875000 0.125000 Li\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5205134318254991,
"density_atomic": 0.04516071394621916,
"volume": 88.57255898929115,
"volume_molar": 13.334910442672868,
"formula_full": "Li4",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -6.58849649,
"energy_per_atom": -1.6471241225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.58849649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.145000Z",
"spacegroup": 213
},
{
"id": "mp-1247117",
"created_at": "2022-09-04T14:45:58.862683Z",
"structure_string": "Pb2\n1.0\n4.331315 0.000000 2.500686\n1.443772 4.083603 2.500686\n0.000000 0.000000 5.001372\nPb\n2\ndirect\n0.875000 0.875000 0.875000 Pb\n0.125000 0.125000 0.125000 Pb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 7.778868002989944,
"density_atomic": 0.022608802163925835,
"volume": 88.46112171263815,
"volume_molar": 26.63626633704996,
"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -6.90044635,
"energy_per_atom": -3.450223175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.90044635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004186,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.253000Z",
"spacegroup": 227
},
{
"id": "mp-998861",
"created_at": "2022-09-04T14:45:58.407954Z",
"structure_string": "Br1\n1.0\n0.000000 2.362556 2.362556\n2.362556 0.000000 2.362556\n2.362556 2.362556 0.000000\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 5.030849068090698,
"density_atomic": 0.037916100872080034,
"volume": 26.374019928203158,
"volume_molar": 15.882806041468449,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -0.97066589,
"energy_per_atom": -0.97066589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.97066589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0652367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.184000Z",
"spacegroup": 225
}
]
}