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=energy_uncorrected&page=10405",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10403",
"results": [
{
"id": "mp-1026884",
"created_at": "2022-09-04T14:40:33.279889Z",
"structure_string": "Mg14 Ga1 Cu1\n1.0\n6.207534 -0.000000 -0.000000\n-3.103767 5.375882 0.000000\n0.000000 0.000000 10.223369\nMg Ga Cu\n14 1 1\ndirect\n0.164385 0.832192 0.125000 Mg\n0.166455 0.833227 0.625000 Mg\n0.667808 0.335615 0.125000 Mg\n0.666773 0.333545 0.625000 Mg\n0.667808 0.832192 0.125000 Mg\n0.666773 0.833227 0.625000 Mg\n0.329499 0.170501 0.371779 Mg\n0.329499 0.170501 0.878221 Mg\n0.329499 0.659000 0.371779 Mg\n0.329499 0.659000 0.878221 Mg\n0.841000 0.170501 0.371779 Mg\n0.841000 0.170501 0.878221 Mg\n0.833333 0.666667 0.374656 Mg\n0.833333 0.666667 0.875344 Mg\n0.166667 0.333333 0.625000 Ga\n0.166667 0.333333 0.125000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Mg",
"density": 2.3048463522284344,
"density_atomic": 0.04689830123589006,
"volume": 341.16374321370114,
"volume_molar": 12.840850524008768,
"formula_full": "Mg14 Ga1 Cu1",
"formula_reduced": "Mg14GaCu",
"formula_anonymous": "ABC14",
"energy": -29.59395492,
"energy_per_atom": -1.8496221825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.59395492,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.526000Z",
"spacegroup": 187
},
{
"id": "mp-974583",
"created_at": "2022-09-04T14:48:02.043637Z",
"structure_string": "Nd1 Sm1 Ir2\n1.0\n0.000000 3.527678 3.527678\n3.527678 0.000000 3.527678\n3.527678 3.527678 0.000000\nNd Sm Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Sm",
"Ir"
],
"chemical_system": "Ir-Nd-Sm",
"density": 12.842367434412784,
"density_atomic": 0.04555784636360983,
"volume": 87.80046291202812,
"volume_molar": 13.21866866123482,
"formula_full": "Nd1 Sm1 Ir2",
"formula_reduced": "NdSmIr2",
"formula_anonymous": "ABC2",
"energy": -29.59325871,
"energy_per_atom": -7.3983146775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.59325871,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.679000Z",
"spacegroup": 225
},
{
"id": "mp-1028323",
"created_at": "2022-09-04T14:39:27.714266Z",
"structure_string": "K1 Mg14 V1\n1.0\n6.511205 -0.000000 -0.000000\n-3.255602 5.638868 0.000000\n-0.000000 0.000000 10.387449\nK Mg V\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.163941 0.831970 0.125000 Mg\n0.174772 0.837386 0.625000 Mg\n0.668030 0.336059 0.125000 Mg\n0.662614 0.325228 0.625000 Mg\n0.668030 0.831970 0.125000 Mg\n0.662614 0.837386 0.625000 Mg\n0.333875 0.166125 0.357511 Mg\n0.333875 0.166125 0.892489 Mg\n0.333875 0.667752 0.357511 Mg\n0.333875 0.667752 0.892489 Mg\n0.832248 0.166125 0.357511 Mg\n0.832248 0.166125 0.892489 Mg\n0.833333 0.666667 0.380431 Mg\n0.833333 0.666667 0.869569 Mg\n0.166667 0.333333 0.125000 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"V"
],
"chemical_system": "K-Mg-V",
"density": 1.8735622728104444,
"density_atomic": 0.041952493699708,
"volume": 381.38376503972546,
"volume_molar": 14.354666979049961,
"formula_full": "K1 Mg14 V1",
"formula_reduced": "KMg14V",
"formula_anonymous": "ABC14",
"energy": -29.59295676,
"energy_per_atom": -1.8495597975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.59295676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.875534,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.044000Z",
"spacegroup": 187
},
{
"id": "mp-1185693",
"created_at": "2022-09-04T14:39:14.105560Z",
"structure_string": "Mg1 B1 O3\n1.0\n3.357238 0.000000 0.000000\n0.000000 3.357238 0.000000\n0.000000 0.000000 3.357238\nMg B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O",
"density": 3.647354163171599,
"density_atomic": 0.13213674787089313,
"volume": 37.83958725006121,
"volume_molar": 4.557506414403398,
"formula_full": "Mg1 B1 O3",
"formula_reduced": "MgBO3",
"formula_anonymous": "ABC3",
"energy": -31.65356941,
"energy_per_atom": -6.3307138819999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.59256941,
"band_gap": 0.2542999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.811000Z",
"spacegroup": 221
},
{
"id": "mp-1110632",
"created_at": "2022-09-04T14:40:22.383121Z",
"structure_string": "Rb2 In1 As1 Br6\n1.0\n0.000000 5.709548 5.709548\n5.709548 0.000000 5.709548\n5.709548 5.709548 0.000000\nRb In As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.764125 0.235875 0.235875 Br\n0.235875 0.235875 0.764125 Br\n0.235875 0.764125 0.764125 Br\n0.235875 0.764125 0.235875 Br\n0.764125 0.235875 0.764125 Br\n0.764125 0.764125 0.235875 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"As",
"Br"
],
"chemical_system": "As-Br-In-Rb",
"density": 3.747524559773956,
"density_atomic": 0.026863637542226988,
"volume": 372.2504066800703,
"volume_molar": 22.41744346994627,
"formula_full": "Rb2 In1 As1 Br6",
"formula_reduced": "Rb2InAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.79605446,
"energy_per_atom": -3.279605446,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.59205446,
"band_gap": 0.6249,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.821000Z",
"spacegroup": 225
},
{
"id": "mp-973963",
"created_at": "2022-09-04T14:43:16.605532Z",
"structure_string": "Ni2 H6\n1.0\n2.554054 -4.423751 0.000000\n2.554054 4.423751 0.000000\n0.000000 0.000000 2.340432\nNi H\n2 6\ndirect\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n0.209550 0.419100 0.250000 H\n0.580900 0.790450 0.250000 H\n0.209550 0.790450 0.250000 H\n0.790450 0.580900 0.750000 H\n0.419100 0.209550 0.750000 H\n0.790450 0.209550 0.750000 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"H"
],
"chemical_system": "H-Ni",
"density": 3.875597582624382,
"density_atomic": 0.15126665899562783,
"volume": 52.886736926153894,
"volume_molar": 3.9811421763298562,
"formula_full": "Ni2 H6",
"formula_reduced": "NiH3",
"formula_anonymous": "AB3",
"energy": -30.66121533,
"energy_per_atom": -3.83265191625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.58721533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.183000Z",
"spacegroup": 194
},
{
"id": "mp-1236123",
"created_at": "2022-09-04T14:42:07.564944Z",
"structure_string": "Li1 Er1 Tl1 O2\n1.0\n3.349783 0.039979 0.651242\n0.025321 -0.014620 8.675669\n1.640269 -2.920987 0.651242\nLi Er Tl O\n1 1 1 2\ndirect\n0.273341 0.242630 0.273341 Li\n0.522189 0.517552 0.522189 Er\n0.038188 0.940829 0.038188 Tl\n0.151954 0.627566 0.151954 O\n0.907185 0.356608 0.907185 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Li",
"Er",
"Tl",
"O"
],
"chemical_system": "Er-Li-O-Tl",
"density": 7.984172473548767,
"density_atomic": 0.05855322297835694,
"volume": 85.39239593776337,
"volume_molar": 10.284900563417263,
"formula_full": "Li1 Er1 Tl1 O2",
"formula_reduced": "LiErTlO2",
"formula_anonymous": "ABCD2",
"energy": -30.96026084,
"energy_per_atom": -6.192052168,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.58626084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.530000Z",
"spacegroup": 160
},
{
"id": "mp-1008226",
"created_at": "2022-09-04T14:40:42.349796Z",
"structure_string": "Cr1 Fe2 Sn1\n1.0\n0.000000 3.002795 3.002795\n3.002795 0.000000 3.002795\n3.002795 3.002795 0.000000\nCr Fe Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Cr\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"Sn"
],
"chemical_system": "Cr-Fe-Sn",
"density": 8.659658074883348,
"density_atomic": 0.07386742221785636,
"volume": 54.15107066011922,
"volume_molar": 8.152634245498602,
"formula_full": "Cr1 Fe2 Sn1",
"formula_reduced": "CrFe2Sn",
"formula_anonymous": "ABC2",
"energy": -29.58527747,
"energy_per_atom": -7.3963193675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.58527747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0285434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.159000Z",
"spacegroup": 225
},
{
"id": "mp-10697",
"created_at": "2022-09-04T14:42:02.255496Z",
"structure_string": "Sr1 Ge2 Rh2\n1.0\n-2.116045 2.116045 5.472009\n2.116045 -2.116045 5.472009\n2.116045 2.116045 -5.472009\nSr Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.632378 0.632378 0.000000 Ge\n0.367622 0.367622 0.000000 Ge\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Sr",
"density": 7.433118021875065,
"density_atomic": 0.051016823180742715,
"volume": 98.00688651831513,
"volume_molar": 11.804225321252801,
"formula_full": "Sr1 Ge2 Rh2",
"formula_reduced": "Sr(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -29.58330369,
"energy_per_atom": -5.916660738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.58330369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.52e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.354000Z",
"spacegroup": 139
},
{
"id": "mp-1069147",
"created_at": "2022-09-04T14:40:27.673229Z",
"structure_string": "Pr1 Fe1 Ge3\n1.0\n-2.168182 2.168182 5.005685\n2.168182 -2.168182 5.005685\n2.168182 2.168182 -5.005685\nPr Fe Ge\n1 1 3\ndirect\n0.998969 0.998969 0.000000 Pr\n0.665008 0.665008 0.000000 Fe\n0.438075 0.438075 0.000000 Ge\n0.254474 0.754474 0.500000 Ge\n0.754474 0.254474 0.500000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Pr",
"density": 7.31542416114054,
"density_atomic": 0.05311962825703306,
"volume": 94.1271647423097,
"volume_molar": 11.336940708357965,
"formula_full": "Pr1 Fe1 Ge3",
"formula_reduced": "PrFeGe3",
"formula_anonymous": "ABC3",
"energy": -29.58198944,
"energy_per_atom": -5.9163978880000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.58198944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.016496,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.271000Z",
"spacegroup": 107
},
{
"id": "mp-1221425",
"created_at": "2022-09-04T14:42:28.064149Z",
"structure_string": "Mo1 Pt3\n1.0\n9.262844 -1.400123 0.000000\n9.262844 1.400123 0.000000\n9.051208 0.000000 2.415833\nMo Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Mo\n0.253259 0.253259 0.253259 Pt\n0.500000 0.500000 0.500000 Pt\n0.746741 0.746741 0.746741 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"Pt"
],
"chemical_system": "Mo-Pt",
"density": 18.05141253927555,
"density_atomic": 0.06383407160736684,
"volume": 62.66246064646103,
"volume_molar": 9.434053959523723,
"formula_full": "Mo1 Pt3",
"formula_reduced": "MoPt3",
"formula_anonymous": "AB3",
"energy": -29.58032977,
"energy_per_atom": -7.3950824425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.58032977,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0837958,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.694000Z",
"spacegroup": 166
},
{
"id": "mp-1187065",
"created_at": "2022-09-04T14:46:31.480149Z",
"structure_string": "Sn1 Ge1 O3\n1.0\n3.864235 0.000000 0.000000\n0.000000 3.864235 0.000000\n0.000000 0.000000 3.864235\nSn Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sn",
"Ge",
"O"
],
"chemical_system": "Ge-O-Sn",
"density": 6.887929191489851,
"density_atomic": 0.08665216439981481,
"volume": 57.701963183861174,
"volume_molar": 6.949786888430996,
"formula_full": "Sn1 Ge1 O3",
"formula_reduced": "SnGeO3",
"formula_anonymous": "ABC3",
"energy": -31.64086604,
"energy_per_atom": -6.328173208,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.57986604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.168000Z",
"spacegroup": 221
}
]
}