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=53",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=51",
"results": [
{
"id": "mp-23156",
"created_at": "2022-09-04T14:43:56.764525Z",
"structure_string": "He2\n1.0\n1.366348 -2.366585 0.000000\n1.366348 2.366585 0.000000\n0.000000 0.000000 4.449274\nHe\n2\ndirect\n0.333333 0.666667 0.250000 He\n0.666667 0.333333 0.750000 He\n",
"nsites": 2,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.46197547512238424,
"density_atomic": 0.0695068193094468,
"volume": 28.774155109816345,
"volume_molar": 8.664100616069366,
"formula_full": "He2",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.01417751,
"energy_per_atom": -0.007088755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.01417751,
"band_gap": 17.7675,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.785000Z",
"spacegroup": 194
},
{
"id": "mp-567337",
"created_at": "2022-09-04T14:48:26.246042Z",
"structure_string": "Li8\n1.0\n-3.430450 3.430450 3.430450\n3.430450 -3.430450 3.430450\n3.430450 3.430450 -3.430450\nLi\n8\ndirect\n0.011942 0.500000 0.000000 Li\n0.000000 0.011942 0.500000 Li\n0.988058 0.988058 0.988058 Li\n0.000000 0.511942 0.500000 Li\n0.511942 0.500000 0.000000 Li\n0.488058 0.488058 0.488058 Li\n0.500000 0.000000 0.011942 Li\n0.500000 0.000000 0.511942 Li\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5710154463801983,
"density_atomic": 0.04954236270600979,
"volume": 161.4779667952645,
"volume_molar": 12.155538070996112,
"formula_full": "Li8",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -15.18856493,
"energy_per_atom": -1.89857061625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.18856493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.85e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:09.726000Z",
"spacegroup": 220
},
{
"id": "mp-974788",
"created_at": "2022-09-04T14:41:07.926935Z",
"structure_string": "Nd3\n1.0\n9.013033 -1.855996 0.000000\n9.013033 1.855996 0.000000\n8.630839 0.000000 3.191879\nNd\n3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.777290 0.777290 0.777290 Nd\n0.222710 0.222710 0.222710 Nd\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.728800860293036,
"density_atomic": 0.028092917417047204,
"volume": 106.78848178934791,
"volume_molar": 21.436508962738323,
"formula_full": "Nd3",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -14.29629073,
"energy_per_atom": -4.765430243333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.29629073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0462911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.722000Z",
"spacegroup": 166
},
{
"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-1063005",
"created_at": "2022-09-04T14:44:13.134269Z",
"structure_string": "Li3\n1.0\n2.452644 -4.248104 0.000000\n2.452644 4.248104 0.000000\n0.000000 0.000000 2.889208\nLi\n3\ndirect\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.500000 Li\n0.333333 0.666667 0.500000 Li\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5743199951440476,
"density_atomic": 0.04982907150605391,
"volume": 60.2058177952507,
"volume_molar": 12.085596977797087,
"formula_full": "Li3",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -5.671036,
"energy_per_atom": -1.8903453333333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.671036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.127000Z",
"spacegroup": 191
},
{
"id": "mp-1091415",
"created_at": "2022-09-04T14:41:10.342357Z",
"structure_string": "Ge8\n1.0\n2.040358 -3.534004 0.000000\n2.040358 3.534004 0.000000\n0.000000 0.000000 13.247926\nGe\n8\ndirect\n0.000000 0.000000 0.406763 Ge\n0.000000 0.000000 0.593237 Ge\n0.000000 0.000000 0.906763 Ge\n0.000000 0.000000 0.093237 Ge\n0.333333 0.666667 0.344290 Ge\n0.666667 0.333333 0.655710 Ge\n0.666667 0.333333 0.844290 Ge\n0.333333 0.666667 0.155710 Ge\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.050840088891539,
"density_atomic": 0.04187344435857266,
"volume": 191.0518736288809,
"volume_molar": 14.381765943185659,
"formula_full": "Ge8",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -36.87456134,
"energy_per_atom": -4.6093201675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.87456134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.71e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.096000Z",
"spacegroup": 194
},
{
"id": "mp-11446",
"created_at": "2022-09-04T14:43:06.138768Z",
"structure_string": "Tb1\n1.0\n-2.010000 2.010000 2.010000\n2.010000 -2.010000 2.010000\n2.010000 2.010000 -2.010000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.124452622043565,
"density_atomic": 0.030785898728431564,
"volume": 32.48240399999999,
"volume_molar": 19.561360911118697,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.48633589,
"energy_per_atom": -4.48633589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.48633589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.036963,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.587000Z",
"spacegroup": 229
},
{
"id": "mp-567365",
"created_at": "2022-09-04T14:48:31.165602Z",
"structure_string": "Kr2\n1.0\n2.210190 -3.828161 0.000000\n2.210190 3.828161 0.000000\n0.000000 0.000000 7.360347\nKr\n2\ndirect\n0.333333 0.666667 0.250000 Kr\n0.666667 0.333333 0.750000 Kr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.234419214800725,
"density_atomic": 0.016057646999962698,
"volume": 124.55124963231825,
"volume_molar": 37.50325785598594,
"formula_full": "Kr2",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.10963756,
"energy_per_atom": -0.05481878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.10963756,
"band_gap": 7.1771,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:56.958000Z",
"spacegroup": 194
},
{
"id": "mp-1239196",
"created_at": "2022-09-04T14:47:24.457839Z",
"structure_string": "Al4\n1.0\n-1.971178 1.971178 6.189698\n1.971178 -1.971178 6.189698\n1.971178 1.971178 -6.189698\nAl\n4\ndirect\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.602999 0.602999 0.000000 Al\n0.397001 0.397001 0.000000 Al\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 1.8629219591315038,
"density_atomic": 0.04157946080458826,
"volume": 96.20134370666497,
"volume_molar": 14.483450827566914,
"formula_full": "Al4",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -13.77380119,
"energy_per_atom": -3.4434502975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.77380119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003332,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.804000Z",
"spacegroup": 139
},
{
"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-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-1014111",
"created_at": "2022-09-04T14:39:10.515461Z",
"structure_string": "Ni2\n1.0\n1.208342 -2.092910 0.000000\n1.208342 2.092910 0.000000\n0.000000 0.000000 13.515347\nNi\n2\ndirect\n0.333333 0.666667 0.425238 Ni\n0.666667 0.333333 0.574762 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 2.8514826991109197,
"density_atomic": 0.02925717405140096,
"volume": 68.35930211462892,
"volume_molar": 20.58346697948305,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -10.3197951,
"energy_per_atom": -5.15989755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.3197951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3472965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.320000Z",
"spacegroup": 164
}
]
}