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=density&page=10121",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10119",
"results": [
{
"id": "mp-551816",
"created_at": "2022-09-04T14:46:52.990679Z",
"structure_string": "Y1 Bi2 I1 O4\n1.0\n3.952110 0.000000 0.000000\n0.000000 3.952110 0.000000\n0.000000 0.000000 9.689004\nY Bi I O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.257520 Bi\n0.500000 0.500000 0.742480 Bi\n0.000000 0.000000 0.500000 I\n0.500000 0.000000 0.143132 O\n0.500000 0.000000 0.856868 O\n0.000000 0.500000 0.143132 O\n0.000000 0.500000 0.856868 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Y",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-I-O-Y",
"density": 7.656378784706029,
"density_atomic": 0.05286312148737342,
"volume": 151.3342340540907,
"volume_molar": 11.391950741006497,
"formula_full": "Y1 Bi2 I1 O4",
"formula_reduced": "YBi2IO4",
"formula_anonymous": "ABC2D4",
"energy": -54.07321795,
"energy_per_atom": -6.75915224375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.94621795,
"band_gap": 1.3836000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001144,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.067000Z",
"spacegroup": 123
},
{
"id": "mp-1219209",
"created_at": "2022-09-04T14:43:14.005666Z",
"structure_string": "Sm3 Bi1 Ru4 O14\n1.0\n6.332784 -3.676829 0.000000\n6.332784 3.676829 0.000000\n4.198009 0.000000 5.999995\nSm Bi Ru O\n3 1 4 14\ndirect\n0.000000 0.500000 0.000000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.127134 0.127134 0.127134 O\n0.872866 0.872866 0.872866 O\n0.418096 0.418096 0.831356 O\n0.831356 0.418096 0.418096 O\n0.418096 0.831356 0.418096 O\n0.829981 0.829981 0.419144 O\n0.419144 0.829981 0.829981 O\n0.829981 0.419144 0.829981 O\n0.581904 0.581904 0.168644 O\n0.168644 0.581904 0.581904 O\n0.581904 0.168644 0.581904 O\n0.170019 0.170019 0.580856 O\n0.580856 0.170019 0.170019 O\n0.170019 0.580856 0.170019 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sm",
"Bi",
"Ru",
"O"
],
"chemical_system": "Bi-O-Ru-Sm",
"density": 7.656457915670079,
"density_atomic": 0.07873606188129613,
"volume": 279.41453349759337,
"volume_molar": 7.648516595964738,
"formula_full": "Sm3 Bi1 Ru4 O14",
"formula_reduced": "Sm3Bi(Ru2O7)2",
"formula_anonymous": "AB3C4D14",
"energy": -174.91258717,
"energy_per_atom": -7.950572144090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.29458717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0349405,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.022000Z",
"spacegroup": 166
},
{
"id": "mp-1043618",
"created_at": "2022-09-04T14:48:29.719285Z",
"structure_string": "Mg1 Bi4 O8\n1.0\n5.296092 -3.560314 0.000000\n5.296092 3.560314 0.000000\n2.902660 0.000000 5.683220\nMg Bi O\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.279256 0.737724 0.737724 O\n0.262276 0.262276 0.720744 O\n0.720744 0.262276 0.262276 O\n0.262276 0.720744 0.262276 O\n0.262204 0.262204 0.262204 O\n0.737796 0.737796 0.737796 O\n0.737724 0.279256 0.737724 O\n0.737724 0.737724 0.279256 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 7.656587341214875,
"density_atomic": 0.060656181379275136,
"volume": 214.3227566323819,
"volume_molar": 9.928321603934055,
"formula_full": "Mg1 Bi4 O8",
"formula_reduced": "Mg(BiO2)4",
"formula_anonymous": "AB4C8",
"energy": -76.18096252,
"energy_per_atom": -5.86007404,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.68496252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:45.062000Z",
"spacegroup": 166
},
{
"id": "mp-1079435",
"created_at": "2022-09-04T14:40:57.692155Z",
"structure_string": "Er3 Mg3 Pd3\n1.0\n3.734806 -6.468874 0.000000\n3.734806 6.468874 0.000000\n0.000000 0.000000 4.012345\nEr Mg Pd\n3 3 3\ndirect\n0.414361 0.414361 0.500000 Er\n0.585639 0.000000 0.500000 Er\n0.000000 0.585639 0.500000 Er\n0.754666 0.754666 0.000000 Mg\n0.245334 0.000000 0.000000 Mg\n0.000000 0.245334 0.000000 Mg\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Pd"
],
"chemical_system": "Er-Mg-Pd",
"density": 7.656641158549358,
"density_atomic": 0.04642132210608099,
"volume": 193.87642556654023,
"volume_molar": 12.972790275637424,
"formula_full": "Er3 Mg3 Pd3",
"formula_reduced": "ErMgPd",
"formula_anonymous": "ABC",
"energy": -40.32932196,
"energy_per_atom": -4.481035773333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.32932196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014366,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.079000Z",
"spacegroup": 189
},
{
"id": "mp-1225230",
"created_at": "2022-09-04T14:42:57.840198Z",
"structure_string": "Eu2 Cd2 Ag2\n1.0\n2.469961 5.587109 0.000000\n-2.469961 5.587109 0.000000\n0.000000 4.914190 5.850059\nEu Cd Ag\n2 2 2\ndirect\n0.548925 0.548925 0.699697 Eu\n0.451075 0.451075 0.300303 Eu\n0.829916 0.829916 0.110068 Cd\n0.170084 0.170084 0.889932 Cd\n0.158799 0.158799 0.294324 Ag\n0.841201 0.841201 0.705676 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Eu",
"density": 7.6566427554829035,
"density_atomic": 0.03716068992407656,
"volume": 161.46094198624056,
"volume_molar": 16.20567533138891,
"formula_full": "Eu2 Cd2 Ag2",
"formula_reduced": "EuCdAg",
"formula_anonymous": "ABC",
"energy": -30.03599007,
"energy_per_atom": -5.005998345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.03599007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.2624799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.077000Z",
"spacegroup": 12
},
{
"id": "mp-1276532",
"created_at": "2022-09-04T14:43:58.441212Z",
"structure_string": "V2 Re2 O8\n1.0\n4.793684 -0.061366 0.000162\n-0.061948 4.764110 -2.860326\n-0.061845 4.764123 2.860222\nV Re O\n2 2 8\ndirect\n0.488806 0.514221 0.014146 V\n0.511385 0.985843 0.485825 V\n0.999983 0.030950 0.969063 Re\n0.999969 0.469003 0.531000 Re\n0.218900 0.133463 0.633567 O\n0.187851 0.657052 0.156955 O\n0.812055 0.842945 0.342894 O\n0.781077 0.366451 0.866580 O\n0.290341 0.152069 0.132678 O\n0.290374 0.632778 0.652089 O\n0.709623 0.347935 0.367214 O\n0.709638 0.867292 0.847989 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"Re",
"O"
],
"chemical_system": "O-Re-V",
"density": 7.656656522483771,
"density_atomic": 0.09186796045900078,
"volume": 130.6222532866114,
"volume_molar": 6.555213297336221,
"formula_full": "V2 Re2 O8",
"formula_reduced": "VReO4",
"formula_anonymous": "ABC4",
"energy": -109.4104235,
"energy_per_atom": -9.117535291666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.51442350000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8230733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.038000Z",
"spacegroup": 12
},
{
"id": "mp-1188322",
"created_at": "2022-09-04T14:40:51.969453Z",
"structure_string": "V4 Cu6 Sb8\n1.0\n0.000000 0.000000 -5.320294\n-4.283190 -7.419135 0.000000\n-4.283190 7.419135 0.000000\nV Cu Sb\n4 6 8\ndirect\n0.750000 0.666617 0.333383 V\n0.250000 0.333383 0.666617 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.750000 0.844365 0.688749 Sb\n0.750000 0.844404 0.155596 Sb\n0.750000 0.311251 0.155635 Sb\n0.250000 0.155635 0.311251 Sb\n0.250000 0.155596 0.844404 Sb\n0.250000 0.688749 0.844365 Sb\n0.250000 0.666701 0.333299 Sb\n0.750000 0.333299 0.666701 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-V",
"density": 7.656723354048531,
"density_atomic": 0.05323365231579663,
"volume": 338.1319751126423,
"volume_molar": 11.312657497695271,
"formula_full": "V4 Cu6 Sb8",
"formula_reduced": "V2Cu3Sb4",
"formula_anonymous": "A2B3C4",
"energy": -96.69235607,
"energy_per_atom": -5.3717975594444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.15635607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4516322,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.208000Z",
"spacegroup": 194
},
{
"id": "mp-1103406",
"created_at": "2022-09-04T14:47:26.009850Z",
"structure_string": "Nd4 P4 Au2 O2\n1.0\n0.000000 -4.245448 0.000000\n-7.624362 -2.122724 0.000000\n-1.099403 -2.122724 -7.549547\nNd P Au O\n4 4 2 2\ndirect\n0.132693 0.687043 0.047572 Nd\n0.867307 0.312957 0.952428 Nd\n0.173604 0.269779 0.383013 Nd\n0.826396 0.730221 0.616987 Nd\n0.549472 0.545978 0.355078 P\n0.450528 0.454022 0.644922 P\n0.148043 0.970699 0.733214 P\n0.851957 0.029301 0.266786 P\n0.411500 0.873831 0.303168 Au\n0.588500 0.126169 0.696832 Au\n0.279224 0.369609 0.071944 O\n0.720776 0.630391 0.928056 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Nd",
"P",
"Au",
"O"
],
"chemical_system": "Au-Nd-O-P",
"density": 7.656778365355189,
"density_atomic": 0.049105859724043556,
"volume": 244.37002157044967,
"volume_molar": 12.263588895179035,
"formula_full": "Nd4 P4 Au2 O2",
"formula_reduced": "Nd2P2AuO",
"formula_anonymous": "ABC2D2",
"energy": -78.49940479,
"energy_per_atom": -6.541617065833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.12540479,
"band_gap": 0.0323000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0116621,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.714000Z",
"spacegroup": 12
},
{
"id": "mp-1228506",
"created_at": "2022-09-04T14:48:07.982989Z",
"structure_string": "Al4 V1 Ni15\n1.0\n3.542131 0.000000 0.000000\n0.000000 3.542131 0.000000\n0.000000 0.000000 17.963394\nAl V Ni\n4 1 15\ndirect\n0.000000 0.000000 0.201876 Al\n0.000000 0.000000 0.399946 Al\n0.000000 0.000000 0.600054 Al\n0.000000 0.000000 0.798124 Al\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.199389 Ni\n0.500000 0.500000 0.399262 Ni\n0.500000 0.500000 0.600738 Ni\n0.500000 0.500000 0.800611 Ni\n0.500000 0.000000 0.097053 Ni\n0.500000 0.000000 0.299916 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.700084 Ni\n0.500000 0.000000 0.902947 Ni\n0.000000 0.500000 0.097053 Ni\n0.000000 0.500000 0.299916 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.700084 Ni\n0.000000 0.500000 0.902947 Ni\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"V",
"Ni"
],
"chemical_system": "Al-Ni-V",
"density": 7.6570113851440125,
"density_atomic": 0.08873855702848381,
"volume": 225.3811721727714,
"volume_molar": 6.786385717391122,
"formula_full": "Al4 V1 Ni15",
"formula_reduced": "Al4VNi15",
"formula_anonymous": "AB4C15",
"energy": -118.94683349000002,
"energy_per_atom": -5.9473416745000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.94683349000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8771271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.667000Z",
"spacegroup": 123
},
{
"id": "mp-979424",
"created_at": "2022-09-04T14:48:21.628104Z",
"structure_string": "Y1 Er1 In2\n1.0\n0.000000 3.748631 3.748631\n3.748631 0.000000 3.748631\n3.748631 3.748631 0.000000\nY Er In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Er",
"In"
],
"chemical_system": "Er-In-Y",
"density": 7.657011425377346,
"density_atomic": 0.037967492745626774,
"volume": 105.35328278849106,
"volume_molar": 15.86130746200946,
"formula_full": "Y1 Er1 In2",
"formula_reduced": "YErIn2",
"formula_anonymous": "ABC2",
"energy": -18.38001401,
"energy_per_atom": -4.5950035025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.38001401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001114,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:04.382000Z",
"spacegroup": 225
},
{
"id": "mp-1517113",
"created_at": "2022-09-04T14:43:34.303296Z",
"structure_string": "Eu1 Hf1 V1 Sn1 O6\n1.0\n0.000000 -4.013211 -4.013211\n4.013211 0.000000 -4.013211\n4.013211 -4.013211 -0.000000\nEu Hf V Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 V\n0.750000 0.750000 0.750000 Sn\n0.743552 0.256448 0.256448 O\n0.256448 0.743552 0.743552 O\n0.743552 0.256448 0.743552 O\n0.256448 0.743552 0.256448 O\n0.743552 0.743552 0.256448 O\n0.256448 0.256448 0.743552 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Hf",
"V",
"Sn",
"O"
],
"chemical_system": "Eu-Hf-O-Sn-V",
"density": 7.657087783575876,
"density_atomic": 0.07735600316037523,
"volume": 129.27244934394943,
"volume_molar": 7.784968863392332,
"formula_full": "Eu1 Hf1 V1 Sn1 O6",
"formula_reduced": "EuHfVSnO6",
"formula_anonymous": "ABCDE6",
"energy": -91.45612432,
"energy_per_atom": -9.145612432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.63412432,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.612000Z",
"spacegroup": 216
},
{
"id": "mp-1206292",
"created_at": "2022-09-04T14:41:59.176487Z",
"structure_string": "Ba2 Er1 U1 O6\n1.0\n0.000000 4.381879 4.381879\n4.381879 0.000000 4.381879\n4.381879 4.381879 0.000000\nBa Er U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 U\n0.754295 0.245705 0.245705 O\n0.245705 0.754295 0.754295 O\n0.245705 0.754295 0.245705 O\n0.754295 0.245705 0.754295 O\n0.245705 0.245705 0.754295 O\n0.754295 0.754295 0.245705 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Er",
"U",
"O"
],
"chemical_system": "Ba-Er-O-U",
"density": 7.657114717938615,
"density_atomic": 0.05942769169733279,
"volume": 168.2717217241136,
"volume_molar": 10.13355994150162,
"formula_full": "Ba2 Er1 U1 O6",
"formula_reduced": "Ba2ErUO6",
"formula_anonymous": "ABC2D6",
"energy": -86.15758887,
"energy_per_atom": -8.615758887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.03558887,
"band_gap": 0.8790000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999696,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.697000Z",
"spacegroup": 225
}
]
}