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=33",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=31",
"results": [
{
"id": "mp-1183591",
"created_at": "2022-09-04T14:44:16.026822Z",
"structure_string": "Cd4\n1.0\n1.645495 -2.850081 0.000000\n1.645495 2.850081 0.000000\n0.000000 0.000000 9.667985\nCd\n4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.250000 Cd\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333333 0.750000 Cd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.233759292031648,
"density_atomic": 0.04411032501953367,
"volume": 90.68171676877586,
"volume_molar": 13.652451568500513,
"formula_full": "Cd4",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy": -3.55372799,
"energy_per_atom": -0.8884319975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.55372799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.075000Z",
"spacegroup": 194
},
{
"id": "mp-570481",
"created_at": "2022-09-04T14:39:28.711919Z",
"structure_string": "Se64\n1.0\n15.309024 0.000000 0.000000\n0.000000 10.153863 0.000000\n0.000000 1.109657 15.700016\nSe\n64\ndirect\n0.824628 0.828421 0.086415 Se\n0.857563 0.048084 0.814616 Se\n0.236288 0.635372 0.691437 Se\n0.713948 0.150480 0.526390 Se\n0.990287 0.652361 0.906751 Se\n0.714049 0.879131 0.984712 Se\n0.354499 0.397129 0.525862 Se\n0.642437 0.548084 0.814616 Se\n0.785951 0.379131 0.984712 Se\n0.675372 0.328421 0.086415 Se\n0.854499 0.102871 0.474138 Se\n0.047426 0.777229 0.230452 Se\n0.736288 0.864628 0.308563 Se\n0.142437 0.951916 0.185384 Se\n0.357563 0.451916 0.185384 Se\n0.524822 0.342267 0.353788 Se\n0.593959 0.735460 0.013428 Se\n0.093959 0.764540 0.986572 Se\n0.690537 0.478908 0.193152 Se\n0.410578 0.062950 0.695855 Se\n0.453780 0.241639 0.475644 Se\n0.910578 0.437050 0.304145 Se\n0.145501 0.897129 0.525862 Se\n0.508143 0.774501 0.238152 Se\n0.214049 0.620869 0.015288 Se\n0.589422 0.937050 0.304145 Se\n0.190537 0.021092 0.806848 Se\n0.509713 0.152361 0.906751 Se\n0.546220 0.758361 0.524356 Se\n0.490287 0.847639 0.093249 Se\n0.024822 0.157733 0.646212 Se\n0.284823 0.888981 0.231350 Se\n0.685345 0.000248 0.644476 Se\n0.475178 0.657733 0.646212 Se\n0.285951 0.120869 0.015288 Se\n0.009713 0.347639 0.093249 Se\n0.089422 0.562950 0.695855 Se\n0.809463 0.978908 0.193152 Se\n0.185345 0.499752 0.355524 Se\n0.784823 0.611019 0.768650 Se\n0.263712 0.135372 0.691437 Se\n0.286052 0.849520 0.473610 Se\n0.547426 0.722771 0.769548 Se\n0.046220 0.741639 0.475644 Se\n0.991857 0.274501 0.238152 Se\n0.786052 0.650480 0.526390 Se\n0.645501 0.602871 0.474138 Se\n0.406041 0.264540 0.986572 Se\n0.975178 0.842267 0.353788 Se\n0.324628 0.671579 0.913585 Se\n0.952574 0.222771 0.769548 Se\n0.491857 0.225499 0.761848 Se\n0.215177 0.388981 0.231350 Se\n0.309463 0.521092 0.806848 Se\n0.175372 0.171579 0.913585 Se\n0.213948 0.349520 0.473610 Se\n0.008143 0.725499 0.761848 Se\n0.452574 0.277229 0.230452 Se\n0.715177 0.111019 0.768650 Se\n0.906041 0.235460 0.013428 Se\n0.314655 0.999752 0.355524 Se\n0.953780 0.258361 0.524356 Se\n0.814655 0.500248 0.644476 Se\n0.763712 0.364628 0.308563 Se\n",
"nsites": 64,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 3.4384072413339237,
"density_atomic": 0.026224129185248142,
"volume": 2440.500485179196,
"volume_molar": 22.96412101030846,
"formula_full": "Se64",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -223.73833457,
"energy_per_atom": -3.49591147765625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.73833457,
"band_gap": 1.5839,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1885325,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.452000Z",
"spacegroup": 14
},
{
"id": "mp-1247180",
"created_at": "2022-09-04T14:43:24.987593Z",
"structure_string": "Mg10\n1.0\n3.421369 -0.013175 0.000664\n-0.013772 5.102642 -0.012034\n0.001858 -0.033979 14.595693\nMg\n10\ndirect\n0.518609 0.010102 0.168218 Mg\n0.018543 0.989977 0.331772 Mg\n0.018592 0.990607 0.668250 Mg\n0.518583 0.009373 0.831729 Mg\n0.018722 0.509226 0.850146 Mg\n0.518430 0.490758 0.649919 Mg\n0.518377 0.490287 0.350614 Mg\n0.518347 0.979160 0.500073 Mg\n0.018698 0.020733 0.999915 Mg\n0.018811 0.509792 0.149372 Mg\n",
"nsites": 10,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.5839150862266336,
"density_atomic": 0.039245256549848374,
"volume": 254.80786416310573,
"volume_molar": 15.344888247451822,
"formula_full": "Mg10",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -14.22901379,
"energy_per_atom": -1.422901379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.22901379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.732000Z",
"spacegroup": 59
},
{
"id": "mp-569007",
"created_at": "2022-09-04T14:43:19.627425Z",
"structure_string": "Ga22\n1.0\n6.388047 -4.571290 0.000000\n6.388047 4.571290 0.000000\n3.116829 0.000000 7.210355\nGa\n22\ndirect\n0.320095 0.625782 0.320095 Ga\n0.679905 0.374218 0.679905 Ga\n0.280549 0.977921 0.280549 Ga\n0.096546 0.615197 0.096546 Ga\n0.719451 0.022079 0.719451 Ga\n0.903454 0.384803 0.903454 Ga\n0.320095 0.320095 0.625782 Ga\n0.374218 0.679905 0.679905 Ga\n0.022079 0.719451 0.719451 Ga\n0.615197 0.096546 0.096546 Ga\n0.903454 0.903454 0.384803 Ga\n0.679905 0.679905 0.374218 Ga\n0.500000 0.000000 0.500000 Ga\n0.625782 0.320095 0.320095 Ga\n0.977921 0.280549 0.280549 Ga\n0.719451 0.719451 0.022079 Ga\n0.500000 0.500000 0.000000 Ga\n0.096546 0.096546 0.615197 Ga\n0.384803 0.903454 0.903454 Ga\n0.000000 0.000000 0.000000 Ga\n0.280549 0.280549 0.977921 Ga\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 22,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.048592464265444,
"density_atomic": 0.05224312670463067,
"volume": 421.1080267913978,
"volume_molar": 11.527144602289312,
"formula_full": "Ga22",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -65.86870808,
"energy_per_atom": -2.9940321854545457,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.86870808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031949,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.161000Z",
"spacegroup": 166
},
{
"id": "mp-81",
"created_at": "2022-09-04T14:39:13.991322Z",
"structure_string": "Au1\n1.0\n0.000000 2.085644 2.085644\n2.085644 0.000000 2.085644\n2.085644 2.085644 0.000000\nAu\n1\ndirect\n0.000000 0.000000 0.000000 Au\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 18.02565607297311,
"density_atomic": 0.05511241768155413,
"volume": 18.144731116281537,
"volume_molar": 10.927012483459935,
"formula_full": "Au1",
"formula_reduced": "Au",
"formula_anonymous": "A",
"energy": -3.27388154,
"energy_per_atom": -3.27388154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.27388154,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.101000Z",
"spacegroup": 225
},
{
"id": "mp-971769",
"created_at": "2022-09-04T14:42:51.133342Z",
"structure_string": "Tm4\n1.0\n1.752383 -3.035216 0.000000\n1.752383 3.035216 0.000000\n0.000000 0.000000 11.301223\nTm\n4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.333333 0.666667 0.250000 Tm\n0.000000 0.000000 0.500000 Tm\n0.666667 0.333333 0.750000 Tm\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.333673812679399,
"density_atomic": 0.033272536999643665,
"volume": 120.21926671966247,
"volume_molar": 18.099433656244774,
"formula_full": "Tm4",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -17.86104114,
"energy_per_atom": -4.465260285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.86104114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.642000Z",
"spacegroup": 194
},
{
"id": "mp-1067793",
"created_at": "2022-09-04T14:42:21.560607Z",
"structure_string": "F4\n1.0\n1.628935 2.634576 0.000000\n-1.628935 2.634576 0.000000\n0.000000 0.929068 5.450456\nF\n4\ndirect\n0.234385 0.280933 0.706899 F\n0.719067 0.765615 0.793101 F\n0.765615 0.719067 0.293101 F\n0.280933 0.234385 0.206899 F\n",
"nsites": 4,
"nelements": 1,
"elements": [
"F"
],
"chemical_system": "F",
"density": 2.6974218392729252,
"density_atomic": 0.08550325961506765,
"volume": 46.78184221289158,
"volume_molar": 7.043170970453575,
"formula_full": "F4",
"formula_reduced": "F",
"formula_anonymous": "A",
"energy": -6.53697971,
"energy_per_atom": -1.6342449275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.53697971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.688000Z",
"spacegroup": 15
},
{
"id": "mp-1179917",
"created_at": "2022-09-04T14:42:14.232432Z",
"structure_string": "Pr3\n1.0\n1.856600 -3.215725 0.000000\n1.856600 3.215725 0.000000\n0.000000 0.000000 9.065304\nPr\n3\ndirect\n0.319115 0.000000 0.666667 Pr\n0.000000 0.319115 0.333333 Pr\n0.680885 0.680885 0.000000 Pr\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.484780909590122,
"density_atomic": 0.027714792950424044,
"volume": 108.24544153609126,
"volume_molar": 21.728976185289742,
"formula_full": "Pr3",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -14.30187732,
"energy_per_atom": -4.767292439999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.30187732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0921586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.927000Z",
"spacegroup": 154
},
{
"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-1080826",
"created_at": "2022-09-04T14:41:25.621771Z",
"structure_string": "C8\n1.0\n1.262830 4.592551 0.000000\n-1.262830 4.592551 0.000000\n0.000000 0.508050 4.120255\nC\n8\ndirect\n0.942859 0.942859 0.879236 C\n0.057141 0.057141 0.120764 C\n0.441920 0.441920 0.653641 C\n0.558080 0.558080 0.346359 C\n0.785768 0.785768 0.059270 C\n0.214232 0.214232 0.940730 C\n0.271267 0.271267 0.585602 C\n0.728733 0.728733 0.414398 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3385234784823026,
"density_atomic": 0.1673928940439203,
"volume": 47.79175391938066,
"volume_molar": 3.5976083658724,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -71.42199994,
"energy_per_atom": -8.9277499925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.42199994,
"band_gap": 3.4876000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002735,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.757000Z",
"spacegroup": 12
},
{
"id": "mp-560602",
"created_at": "2022-09-04T14:41:05.721641Z",
"structure_string": "O24\n1.0\n6.859829 0.000000 0.000000\n0.000000 7.128355 0.000000\n0.000000 0.000000 7.983573\nO\n24\ndirect\n0.757307 0.362980 0.003180 O\n0.446246 0.938678 0.698541 O\n0.257307 0.137020 0.996820 O\n0.742693 0.637020 0.503180 O\n0.257307 0.362980 0.496820 O\n0.155617 0.187281 0.123934 O\n0.655617 0.187281 0.376066 O\n0.053754 0.061322 0.198541 O\n0.946246 0.561322 0.301459 O\n0.053754 0.438678 0.698541 O\n0.553754 0.061322 0.301459 O\n0.757307 0.137020 0.503180 O\n0.242693 0.637020 0.996820 O\n0.946246 0.938678 0.801459 O\n0.446246 0.561322 0.198541 O\n0.655617 0.312719 0.876066 O\n0.344383 0.812719 0.623934 O\n0.742693 0.862980 0.003180 O\n0.844383 0.687281 0.376066 O\n0.155617 0.312719 0.623934 O\n0.242693 0.862980 0.496820 O\n0.553754 0.438678 0.801459 O\n0.844383 0.812719 0.876066 O\n0.344383 0.687281 0.123934 O\n",
"nsites": 24,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.6332930910367458,
"density_atomic": 0.06147681100514933,
"volume": 390.39110206919725,
"volume_molar": 9.795792367134306,
"formula_full": "O24",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -108.87989591000002,
"energy_per_atom": -4.536662329583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.87989591000002,
"band_gap": 1.3241,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010189,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.789000Z",
"spacegroup": 61
},
{
"id": "mp-639747",
"created_at": "2022-09-04T14:40:57.181822Z",
"structure_string": "Ba1\n1.0\n3.953643 0.000000 0.000000\n0.000000 3.953643 0.000000\n0.000000 0.000000 3.953643\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.6898836803357216,
"density_atomic": 0.016181085233557612,
"volume": 61.800552037518536,
"volume_molar": 37.21716234156414,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -1.6229062,
"energy_per_atom": -1.6229062,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.6229062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.748000Z",
"spacegroup": 221
}
]
}