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=-formula_anonymous&page=12138",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12136",
"results": [
{
"id": "mp-1184804",
"created_at": "2022-09-04T14:43:59.573771Z",
"structure_string": "K8\n1.0\n4.535392 -6.424264 0.000000\n4.535392 6.424264 0.000000\n0.000000 0.000000 10.114030\nK\n8\ndirect\n0.745710 0.254290 0.500000 K\n0.254290 0.745710 0.500000 K\n0.763462 0.763462 0.263658 K\n0.263462 0.263462 0.236342 K\n0.754290 0.245710 0.000000 K\n0.245710 0.754290 0.000000 K\n0.736538 0.736538 0.763658 K\n0.236538 0.236538 0.736342 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8812609303512656,
"density_atomic": 0.013573678064514032,
"volume": 589.3759938888323,
"volume_molar": 44.3663149470431,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -8.74609609,
"energy_per_atom": -1.09326201125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.74609609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001974,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.010000Z",
"spacegroup": 64
},
{
"id": "mp-616440",
"created_at": "2022-09-04T14:43:59.798818Z",
"structure_string": "C16\n1.0\n1.261626 -2.185200 0.000000\n1.261626 2.185200 0.000000\n0.000000 0.000000 16.559912\nC\n16\ndirect\n0.000000 0.000000 0.953187 C\n0.666667 0.333333 0.297321 C\n0.333333 0.666667 0.797321 C\n0.666667 0.333333 0.202679 C\n0.333333 0.666667 0.077931 C\n0.333333 0.666667 0.328685 C\n0.333333 0.666667 0.422069 C\n0.666667 0.333333 0.671315 C\n0.333333 0.666667 0.702679 C\n0.000000 0.000000 0.453187 C\n0.000000 0.000000 0.046813 C\n0.333333 0.666667 0.171315 C\n0.666667 0.333333 0.828685 C\n0.000000 0.000000 0.546813 C\n0.666667 0.333333 0.577931 C\n0.666667 0.333333 0.922069 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4948420856278513,
"density_atomic": 0.17523067748670842,
"volume": 91.30821286252021,
"volume_molar": 3.43669319001337,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -145.36998162,
"energy_per_atom": -9.08562385125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.36998162,
"band_gap": 4.3668,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.412000Z",
"spacegroup": 194
},
{
"id": "mp-131",
"created_at": "2022-09-04T14:44:05.213818Z",
"structure_string": "Zr2\n1.0\n1.619616 -2.805257 0.000000\n1.619616 2.805257 0.000000\n0.000000 0.000000 5.172220\nZr\n2\ndirect\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.44609209980321,
"density_atomic": 0.04255379504335922,
"volume": 46.999333384064705,
"volume_molar": 14.151830063250241,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -17.09540126,
"energy_per_atom": -8.54770063,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.09540126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005338,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.756000Z",
"spacegroup": 194
},
{
"id": "mp-10190",
"created_at": "2022-09-04T14:43:59.223743Z",
"structure_string": "Lu1\n1.0\n-1.954218 1.954218 1.954218\n1.954218 -1.954218 1.954218\n1.954218 1.954218 -1.954218\nLu\n1\ndirect\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Lu"
],
"chemical_system": "Lu",
"density": 9.732540598338614,
"density_atomic": 0.03349816219965157,
"volume": 29.852383961840193,
"volume_molar": 17.977525823976812,
"formula_full": "Lu1",
"formula_reduced": "Lu",
"formula_anonymous": "A",
"energy": -4.38886897,
"energy_per_atom": -4.38886897,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.38886897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0740914,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.859000Z",
"spacegroup": 229
},
{
"id": "mp-558014",
"created_at": "2022-09-04T14:45:07.411593Z",
"structure_string": "S24\n1.0\n5.663469 0.000000 0.000000\n0.000000 9.632489 0.000000\n0.000000 0.000000 15.710459\nS\n24\ndirect\n0.009455 0.303651 0.892776 S\n0.500000 0.500000 0.286127 S\n0.190262 0.736624 0.000000 S\n0.990545 0.696349 0.107224 S\n0.799591 0.872707 0.863435 S\n0.490545 0.803651 0.607224 S\n0.299591 0.627293 0.636565 S\n0.500000 0.500000 0.713873 S\n0.509455 0.196349 0.392776 S\n0.490545 0.803651 0.392776 S\n0.299591 0.627293 0.363435 S\n0.700409 0.372707 0.363435 S\n0.309738 0.236624 0.500000 S\n0.000000 0.000000 0.213873 S\n0.000000 0.000000 0.786127 S\n0.200409 0.127293 0.136565 S\n0.509455 0.196349 0.607224 S\n0.990545 0.696349 0.892776 S\n0.200409 0.127293 0.863435 S\n0.700409 0.372707 0.636565 S\n0.690262 0.763376 0.500000 S\n0.799591 0.872707 0.136565 S\n0.009455 0.303651 0.107224 S\n0.809738 0.263376 0.000000 S\n",
"nsites": 24,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.4910137907510814,
"density_atomic": 0.028002790974917143,
"volume": 857.0574276506027,
"volume_molar": 21.50550195298102,
"formula_full": "S24",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -98.93632967,
"energy_per_atom": -4.122347069583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.93632967,
"band_gap": 2.4779,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002936,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.362000Z",
"spacegroup": 58
},
{
"id": "mp-1094122",
"created_at": "2022-09-04T14:45:20.060288Z",
"structure_string": "Mg3\n1.0\n7.698262 -1.605623 0.000000\n7.698262 1.605623 0.000000\n7.363377 0.000000 2.760785\nMg\n3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.222208 0.222208 0.222208 Mg\n0.777792 0.777792 0.777792 Mg\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7740551923933052,
"density_atomic": 0.04395642908164325,
"volume": 68.24940202553526,
"volume_molar": 13.700250192786749,
"formula_full": "Mg3",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -4.79068775,
"energy_per_atom": -1.5968959166666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.79068775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.151000Z",
"spacegroup": 166
},
{
"id": "mp-1009490",
"created_at": "2022-09-04T14:45:20.147462Z",
"structure_string": "O2\n1.0\n2.364873 2.362370 0.000000\n-2.364873 2.362370 0.000000\n0.000000 2.006947 4.167954\nO\n2\ndirect\n0.937265 0.937265 0.147913 O\n0.062735 0.062735 0.852087 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.1409697618155776,
"density_atomic": 0.042945863663209745,
"volume": 46.57025914496468,
"volume_molar": 14.022632790032727,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.89248683,
"energy_per_atom": -4.946243415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.89248683,
"band_gap": 1.6288,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9990628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.049000Z",
"spacegroup": 12
},
{
"id": "mp-11421",
"created_at": "2022-09-04T14:45:16.036298Z",
"structure_string": "Gd1\n1.0\n-2.018432 2.018432 2.018432\n2.018432 -2.018432 2.018432\n2.018432 2.018432 -2.018432\nGd\n1\ndirect\n0.000000 0.000000 0.000000 Gd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Gd"
],
"chemical_system": "Gd",
"density": 7.938480673033082,
"density_atomic": 0.030401683974604583,
"volume": 32.89291477522526,
"volume_molar": 19.808576278309026,
"formula_full": "Gd1",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -13.98852267,
"energy_per_atom": -13.98852267,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.98852267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.6239299,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.046000Z",
"spacegroup": 229
},
{
"id": "mp-12771",
"created_at": "2022-09-04T14:45:19.661585Z",
"structure_string": "Se2\n1.0\n0.000000 3.171379 3.171379\n3.171379 0.000000 3.171379\n3.171379 3.171379 0.000000\nSe\n2\ndirect\n0.500000 0.500000 0.500000 Se\n0.750000 0.750000 0.750000 Se\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.110662289330585,
"density_atomic": 0.031351300572096535,
"volume": 63.79320677305654,
"volume_molar": 19.208583535956592,
"formula_full": "Se2",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -5.96357348,
"energy_per_atom": -2.98178674,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.96357348,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007519,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.414000Z",
"spacegroup": 227
},
{
"id": "mp-1096826",
"created_at": "2022-09-04T14:45:18.336401Z",
"structure_string": "As1\n1.0\n0.000000 2.133318 2.133318\n2.133318 0.000000 2.133318\n2.133318 2.133318 0.000000\nAs\n1\ndirect\n0.500000 0.500000 0.500000 As\n",
"nsites": 1,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 6.407068275258615,
"density_atomic": 0.051499523536432355,
"volume": 19.417655374861265,
"volume_molar": 11.693585389658512,
"formula_full": "As1",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy": -4.10052398,
"energy_per_atom": -4.10052398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.10052398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.996000Z",
"spacegroup": 225
},
{
"id": "mp-697196",
"created_at": "2022-09-04T14:45:20.607235Z",
"structure_string": "Ta22\n1.0\n10.516577 0.000000 0.000000\n0.000000 10.516577 0.000000\n0.000000 0.000000 4.766210\nTa\n22\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.757993 0.432150 0.500000 Ta\n0.242007 0.567850 0.500000 Ta\n0.932150 0.742007 0.000000 Ta\n0.067850 0.257993 0.000000 Ta\n0.432150 0.757993 0.500000 Ta\n0.567850 0.242007 0.500000 Ta\n0.257993 0.067850 0.000000 Ta\n0.742007 0.932150 0.000000 Ta\n0.035151 0.377732 0.500000 Ta\n0.964849 0.622268 0.500000 Ta\n0.877732 0.464849 0.000000 Ta\n0.122268 0.535151 0.000000 Ta\n0.377732 0.035151 0.500000 Ta\n0.622268 0.964849 0.500000 Ta\n0.535151 0.122268 0.000000 Ta\n0.464849 0.877732 0.000000 Ta\n0.102360 0.102360 0.500000 Ta\n0.897640 0.897640 0.500000 Ta\n0.602360 0.397640 0.000000 Ta\n0.397640 0.602360 0.000000 Ta\n",
"nsites": 22,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 12.540166189192433,
"density_atomic": 0.04173502666690942,
"volume": 527.1351609664409,
"volume_molar": 14.42946426765984,
"formula_full": "Ta22",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -234.22388242,
"energy_per_atom": -10.64654011,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -234.22388242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2761434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.648000Z",
"spacegroup": 136
},
{
"id": "mp-684663",
"created_at": "2022-09-04T14:45:16.322623Z",
"structure_string": "I1\n1.0\n-2.072254 2.072254 2.072254\n2.072254 -2.072254 2.072254\n2.072254 2.072254 -2.072254\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 5.920209370234598,
"density_atomic": 0.02809383638617646,
"volume": 35.59499622102337,
"volume_molar": 21.435807759467085,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.07834603,
"energy_per_atom": -1.07834603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.07834603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007851,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.599000Z",
"spacegroup": 229
}
]
}