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=elements&page=135",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=133",
"results": [
{
"id": "mp-1183252",
"created_at": "2022-09-04T14:42:59.287713Z",
"structure_string": "B1 Ir1\n1.0\n1.525180 -2.641689 0.000000\n1.525180 2.641689 0.000000\n0.000000 0.000000 2.719451\nB Ir\n1 1\ndirect\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"Ir"
],
"chemical_system": "B-Ir",
"density": 15.38477010210741,
"density_atomic": 0.09126746177586144,
"volume": 21.913614787619338,
"volume_molar": 6.598343640573058,
"formula_full": "B1 Ir1",
"formula_reduced": "BIr",
"formula_anonymous": "AB",
"energy": -15.91883799,
"energy_per_atom": -7.959418995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.91883799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.177000Z",
"spacegroup": 187
},
{
"id": "mp-999198",
"created_at": "2022-09-04T14:44:07.777139Z",
"structure_string": "B2 Mo2\n1.0\n1.582395 -4.269626 0.000000\n1.582395 4.269626 0.000000\n0.000000 0.000000 3.095708\nB Mo\n2 2\ndirect\n0.559466 0.440534 0.750000 B\n0.440534 0.559466 0.250000 B\n0.855687 0.144313 0.750000 Mo\n0.144313 0.855687 0.250000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 8.475324270781801,
"density_atomic": 0.09562363961542385,
"volume": 41.83066045265663,
"volume_molar": 6.297753133241589,
"formula_full": "B2 Mo2",
"formula_reduced": "BMo",
"formula_anonymous": "AB",
"energy": -37.01722136,
"energy_per_atom": -9.25430534,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.01722136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001512,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.185000Z",
"spacegroup": 63
},
{
"id": "mp-2331",
"created_at": "2022-09-04T14:48:07.649117Z",
"structure_string": "B4 Mo2\n1.0\n7.043048 -1.513979 0.000000\n7.043048 1.513979 0.000000\n6.717602 0.000000 2.602016\nB Mo\n4 2\ndirect\n0.667804 0.667804 0.667804 B\n0.332196 0.332196 0.332196 B\n0.818437 0.818437 0.818437 B\n0.181563 0.181563 0.181563 B\n0.924419 0.924419 0.924419 Mo\n0.075581 0.075581 0.075581 Mo\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 7.035996278697895,
"density_atomic": 0.10812616319507413,
"volume": 55.49073251748694,
"volume_molar": 5.569550034930259,
"formula_full": "B4 Mo2",
"formula_reduced": "B2Mo",
"formula_anonymous": "AB2",
"energy": -50.99919303,
"energy_per_atom": -8.499865505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.99919303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012315,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.344000Z",
"spacegroup": 166
},
{
"id": "mp-1228730",
"created_at": "2022-09-04T14:39:13.700429Z",
"structure_string": "B24 Mo7\n1.0\n2.617486 -4.533620 0.000000\n2.617486 4.533620 0.000000\n0.000000 0.000000 12.260307\nB Mo\n24 7\ndirect\n0.999348 0.333952 0.118054 B\n0.999415 0.335137 0.627668 B\n0.666048 0.665396 0.118054 B\n0.664863 0.664278 0.627668 B\n0.334604 0.000652 0.118054 B\n0.335722 0.000585 0.627668 B\n0.999348 0.665396 0.118054 B\n0.999415 0.664278 0.627668 B\n0.666048 0.000652 0.118054 B\n0.664863 0.000585 0.627668 B\n0.334604 0.333952 0.118054 B\n0.335722 0.335137 0.627668 B\n0.999348 0.665396 0.881946 B\n0.999415 0.664278 0.372332 B\n0.334604 0.333952 0.881946 B\n0.335722 0.335137 0.372332 B\n0.664863 0.000585 0.372332 B\n0.666048 0.000652 0.881946 B\n0.999348 0.333952 0.881946 B\n0.999415 0.335137 0.372332 B\n0.335722 0.000585 0.372332 B\n0.334604 0.000652 0.881946 B\n0.666048 0.665396 0.881946 B\n0.664863 0.664278 0.372332 B\n0.666667 0.333333 0.000000 Mo\n0.666667 0.333333 0.500000 Mo\n0.333333 0.666667 0.244477 Mo\n0.333333 0.666667 0.755523 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.246802 Mo\n0.000000 0.000000 0.753198 Mo\n",
"nsites": 31,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 5.313228326987755,
"density_atomic": 0.10653709980109517,
"volume": 290.9784484266703,
"volume_molar": 5.6526231437155126,
"formula_full": "B24 Mo7",
"formula_reduced": "B24Mo7",
"formula_anonymous": "A7B24",
"energy": -240.57700994,
"energy_per_atom": -7.760548707741936,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -240.57700994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.197000Z",
"spacegroup": 187
},
{
"id": "mp-960",
"created_at": "2022-09-04T14:39:16.895345Z",
"structure_string": "B2 Mo1\n1.0\n1.515246 -2.624484 0.000000\n1.515246 2.624484 0.000000\n0.000000 0.000000 3.349321\nB Mo\n2 1\ndirect\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 7.328282782684588,
"density_atomic": 0.11261789641634747,
"volume": 26.6387501051256,
"volume_molar": 5.347410093451038,
"formula_full": "B2 Mo1",
"formula_reduced": "B2Mo",
"formula_anonymous": "AB2",
"energy": -25.03127307,
"energy_per_atom": -8.34375769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.03127307,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.439000Z",
"spacegroup": 191
},
{
"id": "mp-7229",
"created_at": "2022-09-04T14:46:24.061759Z",
"structure_string": "B5 Mo2\n1.0\n7.220133 -1.543031 0.000000\n7.220133 1.543031 0.000000\n6.890369 0.000000 2.652186\nB Mo\n5 2\ndirect\n0.668410 0.668410 0.668410 B\n0.331590 0.331590 0.331590 B\n0.815738 0.815738 0.815738 B\n0.184262 0.184262 0.184262 B\n0.500000 0.500000 0.500000 B\n0.924414 0.924414 0.924414 Mo\n0.075586 0.075586 0.075586 Mo\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 6.910597742884047,
"density_atomic": 0.118452496189796,
"volume": 59.09541989544843,
"volume_molar": 5.084013384024214,
"formula_full": "B5 Mo2",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy": -54.63026953,
"energy_per_atom": -7.804324218571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.63026953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0189101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:32.321000Z",
"spacegroup": 166
},
{
"id": "mp-1106346",
"created_at": "2022-09-04T14:44:15.714118Z",
"structure_string": "B16 Mo4\n1.0\n2.660729 -4.608517 0.000000\n2.660729 4.608517 0.000000\n0.000000 0.000000 6.540853\nB Mo\n16 4\ndirect\n0.336447 0.336447 0.500000 B\n0.663553 0.000000 0.500000 B\n0.000000 0.663553 0.500000 B\n0.663553 0.663553 0.500000 B\n0.000000 0.336447 0.500000 B\n0.336447 0.000000 0.500000 B\n0.663553 0.663553 0.000000 B\n0.336447 0.000000 0.000000 B\n0.000000 0.336447 0.000000 B\n0.336447 0.336447 0.000000 B\n0.000000 0.663553 0.000000 B\n0.663553 0.000000 0.000000 B\n0.333333 0.666667 0.879456 B\n0.666667 0.333333 0.120544 B\n0.666667 0.333333 0.379456 B\n0.333333 0.666667 0.620544 B\n0.333333 0.666667 0.250000 Mo\n0.666667 0.333333 0.750000 Mo\n0.000000 0.000000 0.250000 Mo\n0.000000 0.000000 0.750000 Mo\n",
"nsites": 20,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 5.7633126608138605,
"density_atomic": 0.12468200403532506,
"volume": 160.40807295921852,
"volume_molar": 4.829999972003819,
"formula_full": "B16 Mo4",
"formula_reduced": "B4Mo",
"formula_anonymous": "AB4",
"energy": -144.78758,
"energy_per_atom": -7.239379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.78758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0226705,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.015000Z",
"spacegroup": 194
},
{
"id": "mp-1080111",
"created_at": "2022-09-04T14:43:10.260243Z",
"structure_string": "B6 Mo2\n1.0\n3.472501 -2.613583 0.000000\n3.472501 2.613583 0.000000\n1.505384 0.000000 4.077119\nB Mo\n6 2\ndirect\n0.334985 0.665015 0.000000 B\n0.000000 0.334985 0.665015 B\n0.665015 0.000000 0.334985 B\n0.000000 0.665015 0.334985 B\n0.334985 0.000000 0.665015 B\n0.665015 0.334985 0.000000 B\n0.835339 0.835339 0.835339 Mo\n0.164661 0.164661 0.164661 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 5.760905143492877,
"density_atomic": 0.10810055600822996,
"volume": 74.00516977351107,
"volume_molar": 5.570869366797263,
"formula_full": "B6 Mo2",
"formula_reduced": "B3Mo",
"formula_anonymous": "AB3",
"energy": -64.29089903,
"energy_per_atom": -8.03636237875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.29089903,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.91e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.996000Z",
"spacegroup": 166
},
{
"id": "mp-2501",
"created_at": "2022-09-04T14:41:20.662359Z",
"structure_string": "B2 Mo4\n1.0\n-2.780403 2.780403 2.390440\n2.780403 -2.780403 2.390440\n2.780403 2.780403 -2.390440\nB Mo\n2 4\ndirect\n0.750000 0.750000 0.000000 B\n0.250000 0.250000 0.000000 B\n0.668753 0.168753 0.837506 Mo\n0.331247 0.831247 0.162494 Mo\n0.831247 0.668753 0.500000 Mo\n0.168753 0.331247 0.500000 Mo\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 9.106683076768183,
"density_atomic": 0.08117044273888827,
"volume": 73.91853238131269,
"volume_molar": 7.4191301128813825,
"formula_full": "B2 Mo4",
"formula_reduced": "BMo2",
"formula_anonymous": "AB2",
"energy": -58.640377580000006,
"energy_per_atom": -9.773396263333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.640377580000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001098,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.532000Z",
"spacegroup": 140
},
{
"id": "mp-1079053",
"created_at": "2022-09-04T14:41:31.493739Z",
"structure_string": "B4 Mo6\n1.0\n6.065209 0.000000 0.000000\n0.000000 6.065209 0.000000\n0.000000 0.000000 3.143764\nB Mo\n4 6\ndirect\n0.112033 0.612033 0.000000 B\n0.887967 0.387967 0.000000 B\n0.612033 0.887967 0.000000 B\n0.387967 0.112033 0.000000 B\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.671743 0.171743 0.500000 Mo\n0.328257 0.828257 0.500000 Mo\n0.171743 0.328257 0.500000 Mo\n0.828257 0.671743 0.500000 Mo\n",
"nsites": 10,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 8.886216184550266,
"density_atomic": 0.08646861884560783,
"volume": 115.64889243640266,
"volume_molar": 6.964539089901161,
"formula_full": "B4 Mo6",
"formula_reduced": "B2Mo3",
"formula_anonymous": "A2B3",
"energy": -95.49461036,
"energy_per_atom": -9.549461036,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.49461036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019215,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.816000Z",
"spacegroup": 127
},
{
"id": "mp-1228687",
"created_at": "2022-09-04T14:46:10.801242Z",
"structure_string": "B12 Mo3\n1.0\n2.757940 -4.776892 0.000000\n2.757940 4.776892 0.000000\n0.000000 0.000000 5.167407\nB Mo\n12 3\ndirect\n0.659920 0.000000 0.285466 B\n0.000000 0.659920 0.285466 B\n0.340080 0.340080 0.285466 B\n0.000000 0.340080 0.285466 B\n0.340080 0.000000 0.285466 B\n0.659920 0.659920 0.285466 B\n0.000000 0.340080 0.714534 B\n0.659920 0.659920 0.714534 B\n0.340080 0.000000 0.714534 B\n0.659920 0.000000 0.714534 B\n0.340080 0.340080 0.714534 B\n0.000000 0.659920 0.714534 B\n0.666667 0.333333 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.333333 0.666667 0.000000 Mo\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 5.092449894871613,
"density_atomic": 0.11016873380116274,
"volume": 136.15478259986762,
"volume_molar": 5.466288439757343,
"formula_full": "B12 Mo3",
"formula_reduced": "B4Mo",
"formula_anonymous": "AB4",
"energy": -112.70567401,
"energy_per_atom": -7.513711600666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.70567401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007169,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.321000Z",
"spacegroup": 191
},
{
"id": "mp-1104594",
"created_at": "2022-09-04T14:45:04.580012Z",
"structure_string": "B10 Mo4\n1.0\n-1.953331 -3.381415 0.000000\n-1.953331 3.381415 0.000000\n0.000000 0.000000 -10.296860\nB Mo\n10 4\ndirect\n0.666655 0.333345 0.838234 B\n0.333345 0.666655 0.161766 B\n0.333345 0.666655 0.338234 B\n0.666655 0.333345 0.661766 B\n0.500000 0.000000 0.500000 B\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.500000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 B\n0.000000 0.500000 0.000000 B\n0.000092 0.999908 0.866896 Mo\n0.999908 0.000092 0.133104 Mo\n0.999908 0.000092 0.366896 Mo\n0.000092 0.999908 0.633104 Mo\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 6.004686131047063,
"density_atomic": 0.10292453526052493,
"volume": 136.02198897049067,
"volume_molar": 5.851025457396158,
"formula_full": "B10 Mo4",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy": -104.19287617,
"energy_per_atom": -7.442348297857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.19287617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.978000Z",
"spacegroup": 194
}
]
}