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=-volume&page=10171",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10169",
"results": [
{
"id": "mp-1232311",
"created_at": "2022-09-04T14:43:20.707022Z",
"structure_string": "Ac2 Cu2 O4 F2\n1.0\n-2.823761 2.823761 4.088983\n2.823761 -2.823761 4.088983\n2.823761 2.823761 -4.088983\nAc Cu O F\n2 2 4 2\ndirect\n0.250000 0.750000 0.500000 Ac\n0.750000 0.250000 0.500000 Ac\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.295408 0.795408 0.090815 O\n0.795408 0.704592 0.500000 O\n0.704592 0.204592 0.909185 O\n0.204592 0.295408 0.500000 O\n0.250000 0.250000 0.000000 F\n0.750000 0.750000 0.000000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ac",
"Cu",
"O",
"F"
],
"chemical_system": "Ac-Cu-F-O",
"density": 8.69748267941945,
"density_atomic": 0.0766776567071009,
"volume": 130.4160876772585,
"volume_molar": 7.853840373609523,
"formula_full": "Ac2 Cu2 O4 F2",
"formula_reduced": "AcCuO2F",
"formula_anonymous": "ABCD2",
"energy": -66.40930369,
"energy_per_atom": -6.640930369,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.73730369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.904000Z",
"spacegroup": 140
},
{
"id": "mp-1521981",
"created_at": "2022-09-04T14:41:14.005606Z",
"structure_string": "Na1 Pr1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.024976 -4.024976\n4.024976 0.000000 -4.024976\n4.024976 -4.024976 0.000000\nNa Pr Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.757913 0.242087 0.242087 O\n0.242087 0.757913 0.757913 O\n0.757913 0.242087 0.757913 O\n0.242087 0.757913 0.242087 O\n0.757913 0.757913 0.242087 O\n0.242087 0.242087 0.757913 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Pr",
"Zr",
"Ti",
"O"
],
"chemical_system": "Na-O-Pr-Ti-Zr",
"density": 5.080255892683245,
"density_atomic": 0.07667964948726606,
"volume": 130.41269837391036,
"volume_molar": 7.853636264991113,
"formula_full": "Na1 Pr1 Zr1 Ti1 O6",
"formula_reduced": "NaPrZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -85.72730636,
"energy_per_atom": -8.572730636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.60530636000001,
"band_gap": 2.1536000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.615000Z",
"spacegroup": 216
},
{
"id": "mp-697068",
"created_at": "2022-09-04T14:42:27.770960Z",
"structure_string": "Si3 Pd6\n1.0\n3.271432 -5.666287 0.000000\n3.271432 5.666287 0.000000\n0.000000 0.000000 3.517617\nSi Pd\n3 6\ndirect\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.734646 0.734646 0.000000 Pd\n0.265354 0.000000 0.000000 Pd\n0.000000 0.265354 0.000000 Pd\n0.393880 0.393880 0.500000 Pd\n0.606120 0.000000 0.500000 Pd\n0.000000 0.606120 0.500000 Pd\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"Pd"
],
"chemical_system": "Pd-Si",
"density": 9.203184075581008,
"density_atomic": 0.06901245816133071,
"volume": 130.41123646053387,
"volume_molar": 8.726164696121991,
"formula_full": "Si3 Pd6",
"formula_reduced": "SiPd2",
"formula_anonymous": "AB2",
"energy": -53.34928962,
"energy_per_atom": -5.927698846666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.56228962,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.554000Z",
"spacegroup": 189
},
{
"id": "mp-1042479",
"created_at": "2022-09-04T14:46:17.306439Z",
"structure_string": "Ba1 Y1 Cu1 W1 O5\n1.0\n4.036774 0.000000 0.000000\n0.000000 4.036774 0.000000\n0.000000 0.000000 8.002694\nBa Y Cu W O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.997126 Ba\n0.000000 0.000000 0.433555 Y\n0.500000 0.500000 0.288786 Cu\n0.500000 0.500000 0.677406 W\n0.000000 0.500000 0.644799 O\n0.500000 0.000000 0.644799 O\n0.000000 0.500000 0.283768 O\n0.500000 0.000000 0.283768 O\n0.500000 0.500000 0.933909 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Cu",
"W",
"O"
],
"chemical_system": "Ba-Cu-O-W-Y",
"density": 7.049406098808905,
"density_atomic": 0.06901403605856,
"volume": 130.40825481302517,
"volume_molar": 8.725965186110944,
"formula_full": "Ba1 Y1 Cu1 W1 O5",
"formula_reduced": "BaYCuWO5",
"formula_anonymous": "ABCDE5",
"energy": -71.31586096,
"energy_per_atom": -7.92398455111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.44286096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3212817,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.636000Z",
"spacegroup": 99
},
{
"id": "mp-1516399",
"created_at": "2022-09-04T14:42:52.030460Z",
"structure_string": "Ba1 Ti1 Mn1 Nb1 O6\n1.0\n-0.000000 -4.024881 -4.024881\n4.024881 -0.000000 -4.024881\n4.024881 -4.024881 0.000000\nBa Ti Mn Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Mn\n0.000000 -0.000000 -0.000000 Nb\n0.747635 0.252365 0.252365 O\n0.252365 0.747635 0.747635 O\n0.747635 0.252365 0.747635 O\n0.252365 0.747635 0.252365 O\n0.747635 0.747635 0.252365 O\n0.252365 0.252365 0.747635 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ti",
"Mn",
"Nb",
"O"
],
"chemical_system": "Ba-Mn-Nb-O-Ti",
"density": 5.463268107322307,
"density_atomic": 0.07668507926666199,
"volume": 130.40346434573476,
"volume_molar": 7.853080178816561,
"formula_full": "Ba1 Ti1 Mn1 Nb1 O6",
"formula_reduced": "BaTiMnNbO6",
"formula_anonymous": "ABCDE6",
"energy": -87.50523913,
"energy_per_atom": -8.750523913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.71523913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0920113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.642000Z",
"spacegroup": 216
},
{
"id": "mp-1183299",
"created_at": "2022-09-04T14:45:10.498405Z",
"structure_string": "Ba1 Hg2 Bi1\n1.0\n0.000000 4.024854 4.024854\n4.024854 0.000000 4.024854\n4.024854 4.024854 0.000000\nBa Hg Bi\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Bi"
],
"chemical_system": "Ba-Bi-Hg",
"density": 9.518589215581933,
"density_atomic": 0.03067464902427077,
"volume": 130.40084001727521,
"volume_molar": 19.632305345156805,
"formula_full": "Ba1 Hg2 Bi1",
"formula_reduced": "BaHg2Bi",
"formula_anonymous": "ABC2",
"energy": -8.33345173,
"energy_per_atom": -2.0833629325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.33345173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.463000Z",
"spacegroup": 225
},
{
"id": "mp-1522475",
"created_at": "2022-09-04T14:40:39.851620Z",
"structure_string": "Sm1 Eu1 Nb1 V1 O6\n1.0\n-0.000000 -4.024817 -4.024817\n4.024817 0.000000 -4.024817\n4.024817 -4.024817 -0.000000\nSm Eu Nb V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 -0.000000 Nb\n0.500000 0.500000 0.500000 V\n0.751997 0.248003 0.248003 O\n0.248003 0.751997 0.751997 O\n0.751997 0.248003 0.751997 O\n0.248003 0.751997 0.248003 O\n0.751997 0.751997 0.248003 O\n0.248003 0.248003 0.751997 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sm",
"Eu",
"Nb",
"V",
"O"
],
"chemical_system": "Eu-Nb-O-Sm-V",
"density": 6.904222693403385,
"density_atomic": 0.07668873751232744,
"volume": 130.39724377249706,
"volume_molar": 7.852705567140108,
"formula_full": "Sm1 Eu1 Nb1 V1 O6",
"formula_reduced": "SmEuNbVO6",
"formula_anonymous": "ABCDE6",
"energy": -94.28229306,
"energy_per_atom": -9.428229306,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.46029306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0017837,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.033000Z",
"spacegroup": 216
},
{
"id": "mp-1094605",
"created_at": "2022-09-04T14:40:38.632405Z",
"structure_string": "Li2 Mg4\n1.0\n5.210275 -2.754372 0.000000\n5.210275 2.754372 0.000000\n3.754197 0.000000 4.543076\nLi Mg\n2 4\ndirect\n0.166301 0.166301 0.166301 Li\n0.833699 0.833699 0.833699 Li\n0.331492 0.000000 0.668508 Mg\n0.668508 0.331492 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.668508 0.331492 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4148413231658088,
"density_atomic": 0.04601379059304211,
"volume": 130.3956905673248,
"volume_molar": 13.087686718230572,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy": -10.38002632,
"energy_per_atom": -1.7300043866666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.38002632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.675000Z",
"spacegroup": 155
},
{
"id": "mp-625402",
"created_at": "2022-09-04T14:41:15.218327Z",
"structure_string": "Sm2 H6 O6\n1.0\n3.193289 -5.530939 0.000000\n3.193289 5.530939 0.000000\n0.000000 0.000000 3.691437\nSm H O\n2 6 6\ndirect\n0.333333 0.666667 0.250000 Sm\n0.666667 0.333333 0.750000 Sm\n0.860732 0.724840 0.250000 H\n0.864108 0.139268 0.250000 H\n0.275160 0.135892 0.250000 H\n0.139268 0.275160 0.750000 H\n0.135892 0.860732 0.750000 H\n0.724840 0.864108 0.750000 H\n0.916988 0.607815 0.250000 O\n0.690826 0.083012 0.250000 O\n0.392185 0.309174 0.250000 O\n0.083012 0.392185 0.750000 O\n0.309174 0.916988 0.750000 O\n0.607815 0.690826 0.750000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sm",
"H",
"O"
],
"chemical_system": "H-O-Sm",
"density": 5.129053577372971,
"density_atomic": 0.1073656815709617,
"volume": 130.3954838748629,
"volume_molar": 5.608999702590961,
"formula_full": "Sm2 H6 O6",
"formula_reduced": "Sm(HO)3",
"formula_anonymous": "AB3C3",
"energy": -90.62603155,
"energy_per_atom": -6.473287967857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.50403155,
"band_gap": 3.7105,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.029000Z",
"spacegroup": 176
},
{
"id": "mp-1228939",
"created_at": "2022-09-04T14:40:26.643429Z",
"structure_string": "Al6 N2 O6\n1.0\n4.973608 -2.830783 0.000000\n4.973608 2.830783 0.000000\n3.362437 0.000000 4.630781\nAl N O\n6 2 6\ndirect\n0.133336 0.133336 0.133336 Al\n0.866664 0.866664 0.866664 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.736922 0.736922 0.736922 N\n0.263078 0.263078 0.263078 N\n0.740546 0.265882 0.740546 O\n0.265882 0.740546 0.740546 O\n0.740546 0.740546 0.265882 O\n0.259454 0.734118 0.259454 O\n0.734118 0.259454 0.259454 O\n0.259454 0.259454 0.734118 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"N",
"O"
],
"chemical_system": "Al-N-O",
"density": 3.6408217055570344,
"density_atomic": 0.10736572610589643,
"volume": 130.39542978726368,
"volume_molar": 5.608997375997134,
"formula_full": "Al6 N2 O6",
"formula_reduced": "Al3NO3",
"formula_anonymous": "AB3C3",
"energy": -108.76077153,
"energy_per_atom": -7.768626537857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.91677153,
"band_gap": 4.146599999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.236000Z",
"spacegroup": 166
},
{
"id": "mp-972763",
"created_at": "2022-09-04T14:41:56.689849Z",
"structure_string": "Si6 Pt2\n1.0\n3.739451 -6.476919 0.000000\n3.739451 6.476919 0.000000\n0.000000 0.000000 2.691877\nSi Pt\n6 2\ndirect\n0.168405 0.336810 0.250000 Si\n0.663190 0.831595 0.250000 Si\n0.168405 0.831595 0.250000 Si\n0.831595 0.663190 0.750000 Si\n0.336810 0.168405 0.750000 Si\n0.831595 0.168405 0.750000 Si\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Pt"
],
"chemical_system": "Pt-Si",
"density": 7.114616237868436,
"density_atomic": 0.06135196357510887,
"volume": 130.39517456040613,
"volume_molar": 9.815726195344212,
"formula_full": "Si6 Pt2",
"formula_reduced": "Si3Pt",
"formula_anonymous": "AB3",
"energy": -44.82948966,
"energy_per_atom": -5.6036862075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.25548966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036623,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.692000Z",
"spacegroup": 194
},
{
"id": "mp-1518717",
"created_at": "2022-09-04T14:46:37.259228Z",
"structure_string": "Ca1 Eu1 Zr1 Ti1 O6\n1.0\n0.000000 -4.024785 -4.024785\n4.024785 0.000000 -4.024785\n4.024785 -4.024785 -0.000000\nCa Eu Zr Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Ti\n0.757754 0.242246 0.242246 O\n0.242246 0.757754 0.757754 O\n0.757754 0.242246 0.757754 O\n0.242246 0.757754 0.242246 O\n0.757754 0.757754 0.242246 O\n0.242246 0.242246 0.757754 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Zr",
"Ti",
"O"
],
"chemical_system": "Ca-Eu-O-Ti-Zr",
"density": 5.439393903919052,
"density_atomic": 0.07669056672241831,
"volume": 130.39413356006384,
"volume_molar": 7.852518265769444,
"formula_full": "Ca1 Eu1 Zr1 Ti1 O6",
"formula_reduced": "CaEuZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -93.50248188,
"energy_per_atom": -9.350248188,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.38048187999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0027481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.981000Z",
"spacegroup": 216
}
]
}