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=-spacegroup&page=1765",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=1763",
"results": [
{
"id": "mp-561147",
"created_at": "2022-09-04T14:48:18.733181Z",
"structure_string": "Ba8 Bi4 Ru4 O24\n1.0\n3.067375 -5.312849 0.000000\n3.067375 5.312849 0.000000\n0.000000 0.000000 20.600019\nBa Bi Ru O\n8 4 4 24\ndirect\n0.666667 0.333333 0.644565 Ba\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666667 0.144565 Ba\n0.333333 0.666667 0.355435 Ba\n0.666667 0.333333 0.855435 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.438868 Bi\n0.333333 0.666667 0.561132 Bi\n0.666667 0.333333 0.061132 Bi\n0.333333 0.666667 0.938868 Bi\n0.000000 0.000000 0.683341 Ru\n0.000000 0.000000 0.316659 Ru\n0.000000 0.000000 0.816659 Ru\n0.000000 0.000000 0.183341 Ru\n0.158353 0.841647 0.636605 O\n0.847574 0.695149 0.750000 O\n0.158353 0.316705 0.863395 O\n0.841647 0.158353 0.363395 O\n0.158353 0.316705 0.636605 O\n0.500000 0.000000 0.000000 O\n0.683295 0.841647 0.636605 O\n0.152426 0.304851 0.250000 O\n0.152426 0.847574 0.250000 O\n0.841647 0.683295 0.136605 O\n0.304851 0.152426 0.750000 O\n0.316705 0.158353 0.136605 O\n0.500000 0.000000 0.500000 O\n0.695149 0.847574 0.250000 O\n0.316705 0.158353 0.363395 O\n0.841647 0.158353 0.136605 O\n0.841647 0.683295 0.363395 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.683295 0.841647 0.863395 O\n0.847574 0.152426 0.750000 O\n0.000000 0.500000 0.000000 O\n0.158353 0.841647 0.863395 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Ru",
"O"
],
"chemical_system": "Ba-Bi-O-Ru",
"density": 6.734004261215104,
"density_atomic": 0.05957554560460551,
"volume": 671.4164275636576,
"volume_molar": 10.108410588411726,
"formula_full": "Ba8 Bi4 Ru4 O24",
"formula_reduced": "Ba2BiRuO6",
"formula_anonymous": "ABC2D6",
"energy": -274.43920158,
"energy_per_atom": -6.860980039499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.95120158,
"band_gap": 0.2069,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.5636593,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:02.272000Z",
"spacegroup": 194
},
{
"id": "mp-1007992",
"created_at": "2022-09-04T14:48:18.815891Z",
"structure_string": "Cr2 H2\n1.0\n1.342599 -2.325450 0.000000\n1.342599 2.325450 0.000000\n0.000000 0.000000 4.650100\nCr H\n2 2\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 6.062370192503156,
"density_atomic": 0.13775722247247132,
"volume": 29.036590083683915,
"volume_molar": 4.371560816859118,
"formula_full": "Cr2 H2",
"formula_reduced": "CrH",
"formula_anonymous": "AB",
"energy": -24.85975625,
"energy_per_atom": -6.2149390625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.50175625,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0219373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.100000Z",
"spacegroup": 194
},
{
"id": "mp-866201",
"created_at": "2022-09-04T14:48:18.857123Z",
"structure_string": "Ti6 Bi2\n1.0\n3.001473 -5.198703 0.000000\n3.001473 5.198703 0.000000\n0.000000 0.000000 4.826148\nTi Bi\n6 2\ndirect\n0.158032 0.316065 0.250000 Ti\n0.683935 0.841968 0.250000 Ti\n0.158032 0.841968 0.250000 Ti\n0.841968 0.683935 0.750000 Ti\n0.316065 0.158032 0.750000 Ti\n0.841968 0.158032 0.750000 Ti\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Bi"
],
"chemical_system": "Bi-Ti",
"density": 7.7746063971988635,
"density_atomic": 0.053116555886054045,
"volume": 150.61217480217746,
"volume_molar": 11.337596460355472,
"formula_full": "Ti6 Bi2",
"formula_reduced": "Ti3Bi",
"formula_anonymous": "AB3",
"energy": -55.86361702,
"energy_per_atom": -6.9829521275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.86361702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2306839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:59.980000Z",
"spacegroup": 194
},
{
"id": "mp-1199900",
"created_at": "2022-09-04T14:48:18.919518Z",
"structure_string": "Yb4 Co34\n1.0\n4.125108 -7.144897 0.000000\n4.125108 7.144897 0.000000\n0.000000 0.000000 8.075952\nYb Co\n4 34\ndirect\n0.000000 0.000000 0.250000 Yb\n0.000000 0.000000 0.750000 Yb\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.333333 0.666667 0.393984 Co\n0.666667 0.333333 0.606016 Co\n0.666667 0.333333 0.893984 Co\n0.333333 0.666667 0.106016 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.328248 0.374097 0.250000 Co\n0.625903 0.954151 0.250000 Co\n0.045849 0.671752 0.250000 Co\n0.625903 0.671752 0.250000 Co\n0.045849 0.374097 0.250000 Co\n0.328248 0.954151 0.250000 Co\n0.671752 0.625903 0.750000 Co\n0.374097 0.045849 0.750000 Co\n0.954151 0.328248 0.750000 Co\n0.374097 0.328248 0.750000 Co\n0.954151 0.625903 0.750000 Co\n0.671752 0.045849 0.750000 Co\n0.166756 0.833244 0.522934 Co\n0.166756 0.333512 0.522934 Co\n0.666488 0.833244 0.522934 Co\n0.833244 0.166756 0.477066 Co\n0.833244 0.666488 0.477066 Co\n0.333512 0.166756 0.477066 Co\n0.833244 0.166756 0.022934 Co\n0.833244 0.666488 0.022934 Co\n0.333512 0.166756 0.022934 Co\n0.166756 0.833244 0.977066 Co\n0.166756 0.333512 0.977066 Co\n0.666488 0.833244 0.977066 Co\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Yb",
"Co"
],
"chemical_system": "Co-Yb",
"density": 9.403640636773748,
"density_atomic": 0.07982309745657971,
"volume": 476.0526866383548,
"volume_molar": 7.544358652927222,
"formula_full": "Yb4 Co34",
"formula_reduced": "Yb2Co17",
"formula_anonymous": "A2B17",
"energy": -248.76398852,
"energy_per_atom": -6.546420750526316,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -248.76398852,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 53.3532173,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:46.167000Z",
"spacegroup": 194
},
{
"id": "mp-973352",
"created_at": "2022-09-04T14:48:19.273410Z",
"structure_string": "Na2 Co6\n1.0\n3.005340 -5.205402 0.000000\n3.005340 5.205402 0.000000\n0.000000 0.000000 4.016092\nNa Co\n2 6\ndirect\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n0.131494 0.868506 0.250000 Co\n0.737012 0.868506 0.250000 Co\n0.131494 0.262988 0.250000 Co\n0.868506 0.131494 0.750000 Co\n0.262988 0.131494 0.750000 Co\n0.868506 0.737012 0.750000 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Co"
],
"chemical_system": "Co-Na",
"density": 5.280437436602272,
"density_atomic": 0.06366613004617937,
"volume": 125.65550936105757,
"volume_molar": 9.45893955802233,
"formula_full": "Na2 Co6",
"formula_reduced": "NaCo3",
"formula_anonymous": "AB3",
"energy": -40.16116615,
"energy_per_atom": -5.02014576875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.16116615,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.7973445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:01.155000Z",
"spacegroup": 194
},
{
"id": "mp-559740",
"created_at": "2022-09-04T14:48:19.162310Z",
"structure_string": "Si12 O24\n1.0\n5.045546 -8.739142 0.000000\n5.045546 8.739142 0.000000\n0.000000 0.000000 10.296279\nSi O\n12 24\ndirect\n0.568639 0.137278 0.603545 Si\n0.431361 0.568639 0.103545 Si\n0.568639 0.431361 0.603545 Si\n0.862722 0.431361 0.603545 Si\n0.431361 0.568639 0.396455 Si\n0.137278 0.568639 0.396455 Si\n0.862722 0.431361 0.896455 Si\n0.431361 0.862722 0.396455 Si\n0.431361 0.862722 0.103545 Si\n0.568639 0.137278 0.896455 Si\n0.568639 0.431361 0.896455 Si\n0.137278 0.568639 0.103545 Si\n0.245768 0.491535 0.083499 O\n0.532432 0.467568 0.750000 O\n0.754232 0.508465 0.916501 O\n0.508465 0.754232 0.083499 O\n0.754232 0.245768 0.583499 O\n0.500000 0.500000 0.500000 O\n0.532432 0.064864 0.750000 O\n0.245768 0.491535 0.416501 O\n0.245768 0.754232 0.083499 O\n0.491535 0.245768 0.583499 O\n0.467568 0.935136 0.250000 O\n0.508465 0.754232 0.416501 O\n0.064864 0.532432 0.250000 O\n0.000000 0.500000 0.000000 O\n0.935136 0.467568 0.750000 O\n0.500000 0.000000 0.000000 O\n0.491535 0.245768 0.916501 O\n0.754232 0.245768 0.916501 O\n0.467568 0.532432 0.250000 O\n0.245768 0.754232 0.416501 O\n0.754232 0.508465 0.583499 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.3185727170969321,
"density_atomic": 0.039647447872726296,
"volume": 908.0029593724394,
"volume_molar": 15.189226755103864,
"formula_full": "Si12 O24",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -299.95751133,
"energy_per_atom": -8.3321530925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -283.46951133,
"band_gap": 5.912800000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:01.583000Z",
"spacegroup": 194
},
{
"id": "mp-976930",
"created_at": "2022-09-04T14:48:22.409937Z",
"structure_string": "Ni6 As2\n1.0\n2.547002 -4.411536 0.000000\n2.547002 4.411536 0.000000\n0.000000 0.000000 4.109564\nNi As\n6 2\ndirect\n0.167062 0.334124 0.250000 Ni\n0.665876 0.832938 0.250000 Ni\n0.167062 0.832938 0.250000 Ni\n0.832938 0.665876 0.750000 Ni\n0.334124 0.167062 0.750000 Ni\n0.832938 0.167062 0.750000 Ni\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"As"
],
"chemical_system": "As-Ni",
"density": 9.026327180892585,
"density_atomic": 0.08662537535258158,
"volume": 92.3516921853267,
"volume_molar": 6.951936122052867,
"formula_full": "Ni6 As2",
"formula_reduced": "Ni3As",
"formula_anonymous": "AB3",
"energy": -45.03484033,
"energy_per_atom": -5.62935504125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.03484033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:11.638000Z",
"spacegroup": 194
},
{
"id": "mp-1094548",
"created_at": "2022-09-04T14:48:19.408795Z",
"structure_string": "Mg6 Sb2\n1.0\n3.129330 -5.420158 0.000000\n3.129330 5.420158 0.000000\n0.000000 0.000000 5.439521\nMg Sb\n6 2\ndirect\n0.329159 0.164579 0.250000 Mg\n0.835421 0.164579 0.250000 Mg\n0.835421 0.670841 0.250000 Mg\n0.670841 0.835421 0.750000 Mg\n0.164579 0.329159 0.750000 Mg\n0.164579 0.835421 0.750000 Mg\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.5037677660366553,
"density_atomic": 0.04335468382630591,
"volume": 184.5244687298565,
"volume_molar": 13.890404054442678,
"formula_full": "Mg6 Sb2",
"formula_reduced": "Mg3Sb",
"formula_anonymous": "AB3",
"energy": -19.32147312,
"energy_per_atom": -2.41518414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.93747312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000817,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:11.540000Z",
"spacegroup": 194
},
{
"id": "mp-1025029",
"created_at": "2022-09-04T14:48:19.602417Z",
"structure_string": "Pr2 H2 Se2\n1.0\n2.031383 -3.518459 0.000000\n2.031383 3.518459 0.000000\n0.000000 0.000000 8.025771\nPr H Se\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.750000 Pr\n0.333333 0.666667 0.750000 H\n0.666667 0.333333 0.250000 H\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"H",
"Se"
],
"chemical_system": "H-Pr-Se",
"density": 6.39389864985402,
"density_atomic": 0.052298614375497106,
"volume": 114.7257928655776,
"volume_molar": 11.514914557318535,
"formula_full": "Pr2 H2 Se2",
"formula_reduced": "PrHSe",
"formula_anonymous": "ABC",
"energy": -33.164635940000004,
"energy_per_atom": -5.527439323333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.86263594,
"band_gap": 1.9162000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:56.786000Z",
"spacegroup": 194
},
{
"id": "mp-976829",
"created_at": "2022-09-04T14:48:19.585247Z",
"structure_string": "Na2 Dy6\n1.0\n3.593694 -6.224461 0.000000\n3.593694 6.224461 0.000000\n0.000000 0.000000 5.776068\nNa Dy\n2 6\ndirect\n0.333333 0.666667 0.750000 Na\n0.666667 0.333333 0.250000 Na\n0.164424 0.835576 0.250000 Dy\n0.835576 0.671152 0.750000 Dy\n0.328848 0.164424 0.750000 Dy\n0.835576 0.164424 0.750000 Dy\n0.164424 0.328848 0.250000 Dy\n0.671152 0.835576 0.250000 Dy\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Dy"
],
"chemical_system": "Dy-Na",
"density": 6.560863437860359,
"density_atomic": 0.030958852083803744,
"volume": 258.40751389439384,
"volume_molar": 19.452080276421196,
"formula_full": "Na2 Dy6",
"formula_reduced": "NaDy3",
"formula_anonymous": "AB3",
"energy": -27.83406906,
"energy_per_atom": -3.4792586325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.83406906,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9010138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:25.551000Z",
"spacegroup": 194
},
{
"id": "mp-10662",
"created_at": "2022-09-04T14:48:19.601966Z",
"structure_string": "K4 C2 O6\n1.0\n2.892361 -5.009715 0.000000\n2.892361 5.009715 0.000000\n0.000000 0.000000 7.151099\nK C O\n4 2 6\ndirect\n0.666667 0.333333 0.750000 K\n0.333333 0.666667 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.750000 C\n0.666667 0.333333 0.250000 C\n0.593814 0.796907 0.750000 O\n0.406186 0.203093 0.250000 O\n0.796907 0.593814 0.250000 O\n0.203093 0.796907 0.750000 O\n0.203093 0.406186 0.750000 O\n0.796907 0.203093 0.250000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"C",
"O"
],
"chemical_system": "C-K-O",
"density": 2.2148081692677186,
"density_atomic": 0.05790458363670358,
"volume": 207.23748011536762,
"volume_molar": 10.400110633353705,
"formula_full": "K4 C2 O6",
"formula_reduced": "K2CO3",
"formula_anonymous": "AB2C3",
"energy": -77.90717658,
"energy_per_atom": -6.492264715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.78517658,
"band_gap": 3.2835,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005454,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:27.677000Z",
"spacegroup": 194
},
{
"id": "mp-979900",
"created_at": "2022-09-04T14:48:19.642516Z",
"structure_string": "Tm2 As6\n1.0\n2.968156 -5.140997 0.000000\n2.968156 5.140997 0.000000\n0.000000 0.000000 5.491204\nTm As\n2 6\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.181664 0.363328 0.250000 As\n0.636672 0.818336 0.250000 As\n0.181664 0.818336 0.250000 As\n0.818336 0.636672 0.750000 As\n0.363328 0.181664 0.750000 As\n0.818336 0.181664 0.750000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"As"
],
"chemical_system": "As-Tm",
"density": 7.802104605357404,
"density_atomic": 0.04773735364378354,
"volume": 167.58365073388975,
"volume_molar": 12.615154172427017,
"formula_full": "Tm2 As6",
"formula_reduced": "TmAs3",
"formula_anonymous": "AB3",
"energy": -40.50556393,
"energy_per_atom": -5.06319549125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.50556393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:09.632000Z",
"spacegroup": 194
}
]
}