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=92",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=90",
"results": [
{
"id": "mp-1245584",
"created_at": "2022-09-04T14:43:54.259036Z",
"structure_string": "Li1 Pd1 N1\n1.0\n0.000000 -2.168170 -2.167996\n0.000000 -2.168170 2.167996\n-3.828942 0.000000 0.000000\nLi Pd N\n1 1 1\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Pd",
"N"
],
"chemical_system": "Li-N-Pd",
"density": 5.875540346376463,
"density_atomic": 0.08334137544879731,
"volume": 35.99652614136563,
"volume_molar": 7.2258715764774495,
"formula_full": "Li1 Pd1 N1",
"formula_reduced": "LiPdN",
"formula_anonymous": "ABC",
"energy": -15.64502608,
"energy_per_atom": -5.215008693333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.28402608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.699000Z",
"spacegroup": 123
},
{
"id": "mp-1229092",
"created_at": "2022-09-04T14:40:56.520613Z",
"structure_string": "Ag1 Au1\n1.0\n4.864328 -1.473069 0.000000\n4.864328 1.473069 0.000000\n4.418238 0.000000 2.512130\nAg Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 14.06033119330126,
"density_atomic": 0.055553566862013855,
"volume": 36.00128871954665,
"volume_molar": 10.840241410525506,
"formula_full": "Ag1 Au1",
"formula_reduced": "AgAu",
"formula_anonymous": "AB",
"energy": -6.1898896,
"energy_per_atom": -3.0949448,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.1898896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.014000Z",
"spacegroup": 166
},
{
"id": "mp-1017541",
"created_at": "2022-09-04T14:46:59.109232Z",
"structure_string": "Zr1 Ir1\n1.0\n3.136106 0.000000 0.000000\n0.000000 3.136106 0.000000\n0.000000 0.000000 3.663068\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 13.064275235468594,
"density_atomic": 0.05551413128133359,
"volume": 36.026862959710805,
"volume_molar": 10.847941994230434,
"formula_full": "Zr1 Ir1",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy": -18.96595299,
"energy_per_atom": -9.482976495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.96595299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.082000Z",
"spacegroup": 123
},
{
"id": "mp-1215257",
"created_at": "2022-09-04T14:40:00.744917Z",
"structure_string": "Zr1 Rh1\n1.0\n3.384336 0.000000 0.000000\n0.000000 3.384336 0.000000\n0.000000 0.000000 3.145621\nZr Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Rh"
],
"chemical_system": "Rh-Zr",
"density": 8.947202991947536,
"density_atomic": 0.05551069347463569,
"volume": 36.02909412244783,
"volume_molar": 10.848613813033475,
"formula_full": "Zr1 Rh1",
"formula_reduced": "ZrRh",
"formula_anonymous": "AB",
"energy": -17.40272455,
"energy_per_atom": -8.701362275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.40272455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.994000Z",
"spacegroup": 123
},
{
"id": "mp-1014219",
"created_at": "2022-09-04T14:39:30.230839Z",
"structure_string": "Hf1 Zn1\n1.0\n3.303560 0.000000 0.000000\n0.000000 3.303560 0.000000\n0.000000 0.000000 3.303560\nHf Zn\n1 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Zn"
],
"chemical_system": "Hf-Zn",
"density": 11.23343353979691,
"density_atomic": 0.05547322294731853,
"volume": 36.05343071375802,
"volume_molar": 10.855941731957902,
"formula_full": "Hf1 Zn1",
"formula_reduced": "HfZn",
"formula_anonymous": "AB",
"energy": -11.61533778,
"energy_per_atom": -5.80766889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.61533778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38Z",
"spacegroup": 221
},
{
"id": "mp-1018649",
"created_at": "2022-09-04T14:41:26.098572Z",
"structure_string": "B1 C5\n1.0\n1.275776 -2.209708 0.000000\n1.275776 2.209708 0.000000\n0.000000 0.000000 6.399657\nB C\n1 5\ndirect\n0.333333 0.666667 0.007586 B\n0.333333 0.666667 0.259511 C\n0.666667 0.333333 0.339033 C\n0.000000 0.000000 0.664563 C\n0.666667 0.333333 0.581364 C\n0.000000 0.000000 0.898942 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.2612329021534134,
"density_atomic": 0.16628582939015887,
"volume": 36.08244925021309,
"volume_molar": 3.6215598058389946,
"formula_full": "B1 C5",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy": -51.27068012,
"energy_per_atom": -8.545113353333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.27068012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.621000Z",
"spacegroup": 156
},
{
"id": "mp-1183227",
"created_at": "2022-09-04T14:42:00.987350Z",
"structure_string": "Ag1 Au1\n1.0\n1.468806 -2.544046 0.000000\n1.468806 2.544046 0.000000\n0.000000 0.000000 4.828324\nAg Au\n1 1\ndirect\n0.333333 0.666667 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 14.028065961543124,
"density_atomic": 0.05542608418147444,
"volume": 36.0840934288567,
"volume_molar": 10.865174491278305,
"formula_full": "Ag1 Au1",
"formula_reduced": "AgAu",
"formula_anonymous": "AB",
"energy": -6.17619639,
"energy_per_atom": -3.088098195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.17619639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.950000Z",
"spacegroup": 187
},
{
"id": "mp-24724",
"created_at": "2022-09-04T14:40:21.582084Z",
"structure_string": "Tb1 H2\n1.0\n0.000000 2.623000 2.623000\n2.623000 0.000000 2.623000\n2.623000 2.623000 0.000000\nTb H\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"H"
],
"chemical_system": "H-Tb",
"density": 7.404428540602138,
"density_atomic": 0.08311824931549915,
"volume": 36.09315673400001,
"volume_molar": 7.245269010829664,
"formula_full": "Tb1 H2",
"formula_reduced": "TbH2",
"formula_anonymous": "AB2",
"energy": -13.82250828,
"energy_per_atom": -4.60750276,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.46450828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009987,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.673000Z",
"spacegroup": 225
},
{
"id": "mp-437",
"created_at": "2022-09-04T14:46:16.317314Z",
"structure_string": "Mg1 Au1\n1.0\n3.305237 0.000000 0.000000\n0.000000 3.305237 0.000000\n0.000000 0.000000 3.305237\nMg Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Au"
],
"chemical_system": "Au-Mg",
"density": 10.175760941309065,
"density_atomic": 0.05538882833144307,
"volume": 36.108364452703945,
"volume_molar": 10.872482667378176,
"formula_full": "Mg1 Au1",
"formula_reduced": "MgAu",
"formula_anonymous": "AB",
"energy": -6.08833195,
"energy_per_atom": -3.044165975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.08833195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008927,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.704000Z",
"spacegroup": 221
},
{
"id": "mp-1222302",
"created_at": "2022-09-04T14:45:14.361541Z",
"structure_string": "Li1 Fe1 O2\n1.0\n3.024906 0.000000 0.000000\n0.000000 3.024906 0.000000\n0.000000 0.000000 3.946806\nLi Fe O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.3583113180503785,
"density_atomic": 0.110761912214915,
"volume": 36.113497140051784,
"volume_molar": 5.437014077831233,
"formula_full": "Li1 Fe1 O2",
"formula_reduced": "LiFeO2",
"formula_anonymous": "ABC2",
"energy": -27.57569467,
"energy_per_atom": -6.8939236675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.94569467,
"band_gap": 0.1032999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9996501,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.766000Z",
"spacegroup": 123
},
{
"id": "mp-1925",
"created_at": "2022-09-04T14:47:10.563036Z",
"structure_string": "Zr1 S1\n1.0\n0.000000 2.623508 2.623508\n2.623508 0.000000 2.623508\n2.623508 2.623508 0.000000\nZr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"S"
],
"chemical_system": "S-Zr",
"density": 5.6688668086978575,
"density_atomic": 0.05537998342669354,
"volume": 36.114131428865434,
"volume_molar": 10.874219144488379,
"formula_full": "Zr1 S1",
"formula_reduced": "ZrS",
"formula_anonymous": "AB",
"energy": -15.87267105,
"energy_per_atom": -7.936335525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.36967105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.330000Z",
"spacegroup": 225
},
{
"id": "mp-1077125",
"created_at": "2022-09-04T14:43:52.079763Z",
"structure_string": "B1 C5\n1.0\n-1.258025 1.258025 5.704881\n1.258025 -1.258025 5.704881\n1.258025 1.258025 -5.704881\nB C\n1 5\ndirect\n0.750000 0.250000 0.500000 B\n0.843719 0.843719 0.000000 C\n0.156281 0.156281 0.000000 C\n0.500000 0.500000 0.000000 C\n0.419884 0.919884 0.500000 C\n0.080116 0.580116 0.500000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.258312242793307,
"density_atomic": 0.1661369089423918,
"volume": 36.1147925418578,
"volume_molar": 3.6248060700877645,
"formula_full": "B1 C5",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy": -51.4462147,
"energy_per_atom": -8.574369116666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.4462147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.681000Z",
"spacegroup": 119
}
]
}