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_atomic&page=12187",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=12185",
"results": [
{
"id": "mp-644751",
"created_at": "2022-09-04T14:42:50.061954Z",
"structure_string": "B4 N4\n1.0\n2.591464 0.000000 0.000000\n0.000000 4.292049 0.000000\n0.000000 0.000000 4.880089\nB N\n4 4\ndirect\n0.750000 0.092904 0.659587 B\n0.250000 0.592904 0.840413 B\n0.750000 0.407096 0.159587 B\n0.250000 0.907096 0.340413 B\n0.750000 0.393514 0.821130 N\n0.250000 0.606486 0.178870 N\n0.250000 0.893514 0.678870 N\n0.750000 0.106486 0.321130 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 3.036917717318018,
"density_atomic": 0.14738469702306975,
"volume": 54.27971941176349,
"volume_molar": 4.086001383886801,
"formula_full": "B4 N4",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy": -69.57665762,
"energy_per_atom": -8.6970822025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.13265762,
"band_gap": 5.7747,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.64e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.971000Z",
"spacegroup": 62
},
{
"id": "mp-984728",
"created_at": "2022-09-04T14:41:33.521110Z",
"structure_string": "B2 C2\n1.0\n1.295834 -2.244451 0.000000\n1.295834 2.244451 0.000000\n0.000000 0.000000 4.657464\nB C\n2 2\ndirect\n0.666667 0.333333 0.519483 B\n0.333333 0.666667 0.019483 B\n0.666667 0.333333 0.855518 C\n0.333333 0.666667 0.355518 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 2.7976158746225206,
"density_atomic": 0.14764576341998636,
"volume": 27.09187116071718,
"volume_molar": 4.078776539540586,
"formula_full": "B2 C2",
"formula_reduced": "BC",
"formula_anonymous": "AB",
"energy": -29.81644403,
"energy_per_atom": -7.4541110075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.81644403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.520000Z",
"spacegroup": 186
},
{
"id": "mp-973053",
"created_at": "2022-09-04T14:48:07.100334Z",
"structure_string": "Sc1 H3\n1.0\n0.000000 2.382874 2.382874\n2.382874 0.000000 2.382874\n2.382874 2.382874 0.000000\nSc H\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n0.500000 0.500000 0.500000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"H"
],
"chemical_system": "H-Sc",
"density": 2.944243220669791,
"density_atomic": 0.14781780867535113,
"volume": 27.060338912107053,
"volume_molar": 4.074029248550349,
"formula_full": "Sc1 H3",
"formula_reduced": "ScH3",
"formula_anonymous": "AB3",
"energy": -18.71122181,
"energy_per_atom": -4.6778054525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.17422181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013702,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.208000Z",
"spacegroup": 225
},
{
"id": "mp-18337",
"created_at": "2022-09-04T14:46:03.579720Z",
"structure_string": "Be24 N16\n1.0\n-4.074555 4.074555 4.074555\n4.074555 -4.074555 4.074555\n4.074555 4.074555 -4.074555\nBe N\n24 16\ndirect\n0.766323 0.531876 0.525917 Be\n0.968124 0.734447 0.994041 Be\n0.765553 0.733677 0.259595 Be\n0.240405 0.974083 0.505959 Be\n0.734447 0.994041 0.968124 Be\n0.259595 0.765553 0.733677 Be\n0.974083 0.505959 0.240405 Be\n0.525917 0.766323 0.531876 Be\n0.531876 0.525917 0.766323 Be\n0.994041 0.968124 0.734447 Be\n0.733677 0.259595 0.765553 Be\n0.505959 0.240405 0.974083 Be\n0.233677 0.468124 0.474083 Be\n0.031876 0.265553 0.005959 Be\n0.234447 0.266323 0.740405 Be\n0.759595 0.025917 0.494041 Be\n0.265553 0.005959 0.031876 Be\n0.740405 0.234447 0.266323 Be\n0.025917 0.494041 0.759595 Be\n0.474083 0.233677 0.468124 Be\n0.468124 0.474083 0.233677 Be\n0.005959 0.031876 0.265553 Be\n0.266323 0.740405 0.234447 Be\n0.494041 0.759595 0.025917 Be\n0.229124 0.979124 0.250000 N\n0.520876 0.750000 0.270876 N\n0.750000 0.270876 0.520876 N\n0.979124 0.250000 0.229124 N\n0.250000 0.229124 0.979124 N\n0.270876 0.520876 0.750000 N\n0.770876 0.020876 0.750000 N\n0.479124 0.250000 0.729124 N\n0.250000 0.729124 0.479124 N\n0.020876 0.750000 0.770876 N\n0.750000 0.770876 0.020876 N\n0.729124 0.479124 0.250000 N\n0.500000 0.500000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Be",
"N"
],
"chemical_system": "Be-N",
"density": 2.7026850357286945,
"density_atomic": 0.1478289344800488,
"volume": 270.58302314557005,
"volume_molar": 4.0737226316224024,
"formula_full": "Be24 N16",
"formula_reduced": "Be3N2",
"formula_anonymous": "A2B3",
"energy": -271.85246462000003,
"energy_per_atom": -6.7963116155000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -266.07646462,
"band_gap": 3.3145000000000007,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003541,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.329000Z",
"spacegroup": 206
},
{
"id": "mp-1569",
"created_at": "2022-09-04T14:39:22.092042Z",
"structure_string": "Be2 C1\n1.0\n0.000000 2.163864 2.163864\n2.163864 0.000000 2.163864\n2.163864 2.163864 0.000000\nBe C\n2 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Be\n0.000000 0.000000 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"C"
],
"chemical_system": "Be-C",
"density": 2.4612616144131447,
"density_atomic": 0.1480476009070897,
"volume": 20.263752885011026,
"volume_molar": 4.06770573997975,
"formula_full": "Be2 C1",
"formula_reduced": "Be2C",
"formula_anonymous": "AB2",
"energy": -17.40137255,
"energy_per_atom": -5.800457516666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.40137255,
"band_gap": 1.1636999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012937,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.118000Z",
"spacegroup": 225
},
{
"id": "mp-985293",
"created_at": "2022-09-04T14:46:02.119240Z",
"structure_string": "Al4 H12 O12\n1.0\n5.078031 0.000000 0.000000\n0.000000 5.135686 0.000000\n0.000000 0.000000 7.250552\nAl H O\n4 12 12\ndirect\n0.247839 0.000032 0.499660 Al\n0.252161 0.999968 0.999660 Al\n0.747839 0.499968 0.500340 Al\n0.752161 0.500032 0.000340 Al\n0.029635 0.204931 0.752978 H\n0.081891 0.332843 0.295135 H\n0.216126 0.460991 0.020693 H\n0.283874 0.539009 0.520693 H\n0.418109 0.667157 0.795135 H\n0.470365 0.795069 0.252978 H\n0.529635 0.295069 0.247022 H\n0.581891 0.167157 0.704865 H\n0.716126 0.039009 0.979307 H\n0.783874 0.960991 0.479307 H\n0.918109 0.832843 0.204865 H\n0.970365 0.704931 0.747022 H\n0.073916 0.319955 0.433018 O\n0.087610 0.323664 0.060409 O\n0.129265 0.037967 0.750140 O\n0.370735 0.962033 0.250140 O\n0.412390 0.676336 0.560409 O\n0.426084 0.680045 0.933018 O\n0.573916 0.180045 0.566982 O\n0.587610 0.176336 0.939591 O\n0.629265 0.462033 0.249860 O\n0.870735 0.537967 0.749860 O\n0.912390 0.823664 0.439591 O\n0.926084 0.819955 0.066982 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.7400508511392356,
"density_atomic": 0.1480788896286902,
"volume": 189.08839788176678,
"volume_molar": 4.066846243310305,
"formula_full": "Al4 H12 O12",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy": -172.09318669,
"energy_per_atom": -6.146185238928572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.84918669,
"band_gap": 5.8109,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.706000Z",
"spacegroup": 19
},
{
"id": "mp-1078791",
"created_at": "2022-09-04T14:47:44.698103Z",
"structure_string": "C4 N6\n1.0\n2.224600 -3.792406 0.000000\n2.224600 3.792406 0.000000\n0.000000 0.000000 3.998972\nC N\n4 6\ndirect\n0.330382 0.993292 0.502020 C\n0.993292 0.330382 0.502020 C\n0.669618 0.006708 0.002020 C\n0.006708 0.669618 0.002020 C\n0.330743 0.943727 0.862695 N\n0.943727 0.330743 0.862695 N\n0.669257 0.056273 0.362695 N\n0.056273 0.669257 0.362695 N\n0.710058 0.710058 0.908570 N\n0.289942 0.289942 0.408570 N\n",
"nsites": 10,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.2505054990993743,
"density_atomic": 0.14820227935082628,
"volume": 67.4753454791871,
"volume_molar": 4.063460283052944,
"formula_full": "C4 N6",
"formula_reduced": "C2N3",
"formula_anonymous": "A2B3",
"energy": -81.34400688,
"energy_per_atom": -8.134400688,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.17800688,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000618,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.751000Z",
"spacegroup": 36
},
{
"id": "mp-24287",
"created_at": "2022-09-04T14:42:46.017142Z",
"structure_string": "Cr1 H1\n1.0\n0.000000 1.889517 1.889517\n1.889517 0.000000 1.889517\n1.889517 1.889517 0.000000\nCr H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"H"
],
"chemical_system": "Cr-H",
"density": 6.523424854788317,
"density_atomic": 0.14823391849524625,
"volume": 13.4921886994719,
"volume_molar": 4.062592975435056,
"formula_full": "Cr1 H1",
"formula_reduced": "CrH",
"formula_anonymous": "AB",
"energy": -13.16174567,
"energy_per_atom": -6.580872835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.98274567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.012102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.937000Z",
"spacegroup": 225
},
{
"id": "mp-1096977",
"created_at": "2022-09-04T14:44:29.481562Z",
"structure_string": "H1\n1.0\n2.612964 0.000000 0.000000\n0.000000 2.612964 0.000000\n0.000000 0.000000 0.985799\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.24867295324987948,
"density_atomic": 0.14857466993999568,
"volume": 6.730622389427931,
"volume_molar": 4.053275543154253,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -3.00810299,
"energy_per_atom": -3.00810299,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.00810299,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.914000Z",
"spacegroup": 123
},
{
"id": "mp-1216687",
"created_at": "2022-09-04T14:41:48.577539Z",
"structure_string": "Ti1 V1 H4\n1.0\n5.067267 -1.528128 0.000000\n5.067267 1.528128 0.000000\n4.606432 0.000000 2.606368\nTi V H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 V\n0.621502 0.621502 0.621502 H\n0.128368 0.128368 0.128368 H\n0.871632 0.871632 0.871632 H\n0.378498 0.378498 0.378498 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"V",
"H"
],
"chemical_system": "H-Ti-V",
"density": 4.2307076042875185,
"density_atomic": 0.14864557936488945,
"volume": 40.364469805532735,
"volume_molar": 4.0513419811948,
"formula_full": "Ti1 V1 H4",
"formula_reduced": "TiVH4",
"formula_anonymous": "ABC4",
"energy": -33.26749634,
"energy_per_atom": -5.544582723333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.55149634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0219126,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.395000Z",
"spacegroup": 166
},
{
"id": "mp-1061298",
"created_at": "2022-09-04T14:39:22.023188Z",
"structure_string": "N2\n1.0\n1.259737 -2.181928 0.000000\n1.259737 2.181928 0.000000\n0.000000 0.000000 2.446002\nN\n2\ndirect\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 2,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 3.4594560356260002,
"density_atomic": 0.14873832670629697,
"volume": 13.446433372544645,
"volume_molar": 4.048815724471268,
"formula_full": "N2",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -9.41235188,
"energy_per_atom": -4.70617594,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.41235188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.416000Z",
"spacegroup": 194
},
{
"id": "mp-1183993",
"created_at": "2022-09-04T14:46:21.719374Z",
"structure_string": "Ga1 H3\n1.0\n-1.433753 1.433753 3.238004\n1.433753 -1.433753 3.238004\n1.433753 1.433753 -3.238004\nGa H\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 H\n0.250000 0.750000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"H"
],
"chemical_system": "Ga-H",
"density": 4.53708650412198,
"density_atomic": 0.15023597500240493,
"volume": 26.62478144755921,
"volume_molar": 4.008454539535954,
"formula_full": "Ga1 H3",
"formula_reduced": "GaH3",
"formula_anonymous": "AB3",
"energy": -10.80033843,
"energy_per_atom": -2.7000846075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.26333843,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.993000Z",
"spacegroup": 139
}
]
}