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=118",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=116",
"results": [
{
"id": "mp-1180084",
"created_at": "2022-09-04T14:44:30.268457Z",
"structure_string": "Ni1 H2 O2\n1.0\n1.586721 2.726516 0.000000\n-1.586721 2.726516 0.000000\n0.000000 0.305629 4.608637\nNi H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.692452 0.692452 0.568015 H\n0.307548 0.307548 0.431985 H\n0.680670 0.680670 0.778812 O\n0.319330 0.319330 0.221188 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O",
"density": 3.8606067552501853,
"density_atomic": 0.1253888404719302,
"volume": 39.87595691276299,
"volume_molar": 4.802772509367075,
"formula_full": "Ni1 H2 O2",
"formula_reduced": "Ni(HO)2",
"formula_anonymous": "AB2C2",
"energy": -28.66049806,
"energy_per_atom": -5.732099612,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.74549806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0002695,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.240000Z",
"spacegroup": 12
},
{
"id": "mp-463",
"created_at": "2022-09-04T14:45:12.969509Z",
"structure_string": "K1 F1\n1.0\n0.000000 2.711992 2.711992\n2.711992 0.000000 2.711992\n2.711992 2.711992 0.000000\nK F\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"F"
],
"chemical_system": "F-K",
"density": 2.4182732829403464,
"density_atomic": 0.05013428063521097,
"volume": 39.892863219729406,
"volume_molar": 12.012021881431865,
"formula_full": "K1 F1",
"formula_reduced": "KF",
"formula_anonymous": "AB",
"energy": -8.89371896,
"energy_per_atom": -4.44685948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.43171896,
"band_gap": 5.949400000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.579000Z",
"spacegroup": 225
},
{
"id": "mp-865229",
"created_at": "2022-09-04T14:47:23.377656Z",
"structure_string": "Be2 Ni1 Ir1\n1.0\n0.000000 2.712375 2.712375\n2.712375 0.000000 2.712375\n2.712375 2.712375 0.000000\nBe Ni Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Be\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Ir"
],
"chemical_system": "Be-Ir-Ni",
"density": 11.189658914947081,
"density_atomic": 0.10022609210237655,
"volume": 39.90976716835548,
"volume_molar": 6.008555889666583,
"formula_full": "Be2 Ni1 Ir1",
"formula_reduced": "Be2NiIr",
"formula_anonymous": "ABC2",
"energy": -24.42595603,
"energy_per_atom": -6.1064890075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.42595603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.172000Z",
"spacegroup": 225
},
{
"id": "mp-632282",
"created_at": "2022-09-04T14:39:34.855280Z",
"structure_string": "Na1 H1 F2\n1.0\n2.447302 2.586453 0.000000\n-2.447302 2.586453 0.000000\n0.000000 0.445978 3.153203\nNa H F\n1 1 2\ndirect\n0.218737 0.781263 0.000000 Na\n0.897843 0.102157 0.500000 H\n0.151265 0.277587 0.389109 F\n0.722413 0.848735 0.610891 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"H",
"F"
],
"chemical_system": "F-H-Na",
"density": 2.578863088530498,
"density_atomic": 0.10020419616102359,
"volume": 39.91848798000616,
"volume_molar": 6.00986883854913,
"formula_full": "Na1 H1 F2",
"formula_reduced": "NaHF2",
"formula_anonymous": "ABC2",
"energy": -17.674102129999998,
"energy_per_atom": -4.4185255324999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.75010213,
"band_gap": 6.677199999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.406000Z",
"spacegroup": 5
},
{
"id": "mp-1246274",
"created_at": "2022-09-04T14:39:40.628266Z",
"structure_string": "Na1 Cu1 N1\n1.0\n3.353373 0.000000 0.000000\n-1.676686 2.814820 0.000000\n0.000000 0.000000 4.229863\nNa Cu N\n1 1 1\ndirect\n0.455129 0.910258 0.000000 Na\n0.108020 0.216039 0.500000 Cu\n0.770251 0.540503 0.500000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Cu",
"N"
],
"chemical_system": "Cu-N-Na",
"density": 4.181574626619041,
"density_atomic": 0.07513848980131199,
"volume": 39.92627490827766,
"volume_molar": 8.014721584003473,
"formula_full": "Na1 Cu1 N1",
"formula_reduced": "NaCuN",
"formula_anonymous": "ABC",
"energy": -13.25672104,
"energy_per_atom": -4.4189070133333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.895721039999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.705000Z",
"spacegroup": 38
},
{
"id": "mp-690760",
"created_at": "2022-09-04T14:42:10.929695Z",
"structure_string": "Ti2 H2\n1.0\n2.946499 0.000000 0.000000\n0.000000 2.946499 0.000000\n0.000000 0.000000 4.599998\nTi H\n2 2\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.250000 H\n0.000000 0.000000 0.750000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 4.064387354244768,
"density_atomic": 0.10015894754606132,
"volume": 39.936521878491895,
"volume_molar": 6.012583905427445,
"formula_full": "Ti2 H2",
"formula_reduced": "TiH",
"formula_anonymous": "AB",
"energy": -24.37860183,
"energy_per_atom": -6.0946504575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.02060183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000381,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.218000Z",
"spacegroup": 131
},
{
"id": "mp-1217820",
"created_at": "2022-09-04T14:48:15.909175Z",
"structure_string": "Ta1 V1 N2\n1.0\n3.049867 0.000000 0.000000\n0.000000 3.049867 0.000000\n0.000000 0.000000 4.296062\nTa V N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"V",
"N"
],
"chemical_system": "N-Ta-V",
"density": 10.800097601068018,
"density_atomic": 0.10009851837344144,
"volume": 39.96063143589243,
"volume_molar": 6.016213684135629,
"formula_full": "Ta1 V1 N2",
"formula_reduced": "TaVN2",
"formula_anonymous": "ABC2",
"energy": -42.09244656,
"energy_per_atom": -10.52311164,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.37044656,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1341133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.361000Z",
"spacegroup": 123
},
{
"id": "mp-984717",
"created_at": "2022-09-04T14:45:29.292496Z",
"structure_string": "Be1 Ni3\n1.0\n3.418936 0.000000 0.000000\n0.000000 3.418936 0.000000\n0.000000 0.000000 3.418936\nBe Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Ni"
],
"chemical_system": "Be-Ni",
"density": 7.690679772029176,
"density_atomic": 0.10008916767465807,
"volume": 39.96436470530041,
"volume_molar": 6.016775740982376,
"formula_full": "Be1 Ni3",
"formula_reduced": "BeNi3",
"formula_anonymous": "AB3",
"energy": -21.72474128,
"energy_per_atom": -5.43118532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.72474128,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2090081,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.155000Z",
"spacegroup": 221
},
{
"id": "mp-984050",
"created_at": "2022-09-04T14:47:58.364146Z",
"structure_string": "Bi1 H3\n1.0\n-1.767708 1.767708 3.197434\n1.767708 -1.767708 3.197434\n1.767708 1.767708 -3.197434\nBi H\n1 3\ndirect\n0.000000 0.000000 0.000000 Bi\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": [
"Bi",
"H"
],
"chemical_system": "Bi-H",
"density": 8.808682740012483,
"density_atomic": 0.10008692730525763,
"volume": 39.96525927707122,
"volume_molar": 6.016910421910468,
"formula_full": "Bi1 H3",
"formula_reduced": "BiH3",
"formula_anonymous": "AB3",
"energy": -11.52419484,
"energy_per_atom": -2.88104871,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.98719484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.455000Z",
"spacegroup": 139
},
{
"id": "mp-44",
"created_at": "2022-09-04T14:41:52.105492Z",
"structure_string": "U2\n1.0\n1.404314 -2.898772 0.000000\n1.404314 2.898772 0.000000\n0.000000 0.000000 4.909646\nU\n2\ndirect\n0.900983 0.099017 0.250000 U\n0.099017 0.900983 0.750000 U\n",
"nsites": 2,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.776541402477005,
"density_atomic": 0.050034727341666925,
"volume": 39.97223740908606,
"volume_molar": 12.035922008482698,
"formula_full": "U2",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -22.58282002,
"energy_per_atom": -11.29141001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.58282002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002211,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.361000Z",
"spacegroup": 63
},
{
"id": "mp-634659",
"created_at": "2022-09-04T14:39:44.232237Z",
"structure_string": "H1\n1.0\n0.000000 2.714276 2.714276\n2.714276 0.000000 2.714276\n2.714276 2.714276 0.000000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.04184964346674343,
"density_atomic": 0.025003913308295884,
"volume": 39.99373968666803,
"volume_molar": 24.084792991191318,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -1.11598378,
"energy_per_atom": -1.11598378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.11598378,
"band_gap": 7.5516,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.544000Z",
"spacegroup": 225
},
{
"id": "mp-1094850",
"created_at": "2022-09-04T14:42:20.499171Z",
"structure_string": "Mg1 Ga1\n1.0\n1.569364 -2.718217 0.000000\n1.569364 2.718217 0.000000\n0.000000 0.000000 4.687775\nMg Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.9039273904375964,
"density_atomic": 0.050006381652612494,
"volume": 39.99489532943469,
"volume_molar": 12.042744467766115,
"formula_full": "Mg1 Ga1",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -4.81537694,
"energy_per_atom": -2.40768847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.81537694,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.115000Z",
"spacegroup": 187
}
]
}