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=is_magnetic&page=33",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=31",
"results": [
{
"id": "mp-1188603",
"created_at": "2022-09-04T14:39:31.536143Z",
"structure_string": "La1 Sb12 Ru4\n1.0\n-4.697419 4.697419 4.697419\n4.697419 -4.697419 4.697419\n4.697419 4.697419 -4.697419\nLa Sb Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 La\n0.158334 0.818762 0.660428 Sb\n0.841666 0.181238 0.339572 Sb\n0.841666 0.502094 0.660428 Sb\n0.158334 0.497906 0.339572 Sb\n0.818762 0.660428 0.158334 Sb\n0.181238 0.339572 0.841666 Sb\n0.502094 0.660428 0.841666 Sb\n0.497906 0.339572 0.158334 Sb\n0.660428 0.158334 0.818762 Sb\n0.339572 0.841666 0.181238 Sb\n0.660428 0.841666 0.502094 Sb\n0.339572 0.158334 0.497906 Sb\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 17,
"nelements": 3,
"elements": [
"La",
"Sb",
"Ru"
],
"chemical_system": "La-Ru-Sb",
"density": 8.027403946460424,
"density_atomic": 0.041002565384127464,
"volume": 414.6082041632664,
"volume_molar": 14.68722921012946,
"formula_full": "La1 Sb12 Ru4",
"formula_reduced": "La(Sb3Ru)4",
"formula_anonymous": "AB4C12",
"energy": -100.04255692,
"energy_per_atom": -5.884856289411765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.73855692,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024212,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.783000Z",
"spacegroup": 204
},
{
"id": "mp-1211954",
"created_at": "2022-09-04T14:39:30.929254Z",
"structure_string": "Ir4 N12\n1.0\n-3.433379 3.433379 3.433379\n3.433379 -3.433379 3.433379\n3.433379 3.433379 -3.433379\nIr N\n4 12\ndirect\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.908599 0.692655 0.601254 N\n0.091401 0.307345 0.398746 N\n0.091401 0.692655 0.784056 N\n0.908599 0.307345 0.215944 N\n0.692655 0.601254 0.908599 N\n0.307345 0.398746 0.091401 N\n0.692655 0.784056 0.091401 N\n0.307345 0.215944 0.908599 N\n0.601254 0.908599 0.692655 N\n0.398746 0.091401 0.307345 N\n0.215944 0.908599 0.307345 N\n0.784056 0.091401 0.692655 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ir",
"N"
],
"chemical_system": "Ir-N",
"density": 9.610357435872467,
"density_atomic": 0.0988313554987438,
"volume": 161.89194126962437,
"volume_molar": 6.093350363970819,
"formula_full": "Ir4 N12",
"formula_reduced": "IrN3",
"formula_anonymous": "AB3",
"energy": -134.10647566999998,
"energy_per_atom": -8.381654729374999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.77447567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.464000Z",
"spacegroup": 204
},
{
"id": "mp-1111788",
"created_at": "2022-09-04T14:39:31.574494Z",
"structure_string": "Rb2 Sc1 Au1 I6\n1.0\n0.000000 5.928473 5.928473\n5.928473 0.000000 5.928473\n5.928473 5.928473 0.000000\nRb Sc Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.754540 0.245460 0.245460 I\n0.245460 0.245460 0.754540 I\n0.245460 0.754540 0.754540 I\n0.245460 0.754540 0.245460 I\n0.754540 0.245460 0.754540 I\n0.754540 0.754540 0.245460 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"Au",
"I"
],
"chemical_system": "Au-I-Rb-Sc",
"density": 4.679118453368526,
"density_atomic": 0.023996144329745225,
"volume": 416.73361614199683,
"volume_molar": 25.096284958309134,
"formula_full": "Rb2 Sc1 Au1 I6",
"formula_reduced": "Rb2ScAuI6",
"formula_anonymous": "ABC2D6",
"energy": -33.23941239,
"energy_per_atom": -3.323941239,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.96541239,
"band_gap": 1.1719,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0083285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.777000Z",
"spacegroup": 225
},
{
"id": "mp-1521898",
"created_at": "2022-09-04T14:39:31.580646Z",
"structure_string": "Ba1 Ca1 Ce1 Ti1 O6\n1.0\n0.000000 -4.197193 -4.197193\n4.197193 0.000000 -4.197193\n4.197193 -4.197193 0.000000\nBa Ca Ce Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ti\n0.735531 0.264469 0.264469 O\n0.264469 0.735531 0.735531 O\n0.735531 0.264469 0.735531 O\n0.264469 0.735531 0.264469 O\n0.735531 0.735531 0.264469 O\n0.264469 0.264469 0.735531 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Ce",
"Ti",
"O"
],
"chemical_system": "Ba-Ca-Ce-O-Ti",
"density": 5.180899746729713,
"density_atomic": 0.06762280551539404,
"volume": 147.87910563284072,
"volume_molar": 8.905487895838757,
"formula_full": "Ba1 Ca1 Ce1 Ti1 O6",
"formula_reduced": "BaCaCeTiO6",
"formula_anonymous": "ABCDE6",
"energy": -81.81050932,
"energy_per_atom": -8.181050932,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.68850932,
"band_gap": 2.1876,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.415000Z",
"spacegroup": 216
},
{
"id": "mp-755436",
"created_at": "2022-09-04T14:39:30.966516Z",
"structure_string": "Na6 V2 O8\n1.0\n5.602864 0.000000 0.000000\n0.000000 6.151709 0.000000\n0.000000 0.000000 7.183611\nNa V O\n6 2 8\ndirect\n0.487466 0.658497 0.000000 Na\n0.988867 0.826412 0.246070 Na\n0.488867 0.173588 0.253930 Na\n0.987466 0.341503 0.500000 Na\n0.488867 0.173588 0.746070 Na\n0.988867 0.826412 0.753930 Na\n0.001066 0.326736 0.000000 V\n0.501066 0.673264 0.500000 V\n0.903928 0.597612 0.000000 O\n0.311572 0.322286 0.000000 O\n0.901483 0.192392 0.201383 O\n0.401483 0.807608 0.298617 O\n0.811572 0.677714 0.500000 O\n0.403928 0.402388 0.500000 O\n0.401483 0.807608 0.701383 O\n0.901483 0.192392 0.798617 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 2.466789019778296,
"density_atomic": 0.06462064842792895,
"volume": 247.59887728215404,
"volume_molar": 9.319220568819363,
"formula_full": "Na6 V2 O8",
"formula_reduced": "Na3VO4",
"formula_anonymous": "AB3C4",
"energy": -102.40335324,
"energy_per_atom": -6.4002095775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.50735324,
"band_gap": 4.0296,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012791,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.196000Z",
"spacegroup": 31
},
{
"id": "mp-865846",
"created_at": "2022-09-04T14:39:30.258949Z",
"structure_string": "Lu1 Hf1 Ru2\n1.0\n0.000000 3.282046 3.282046\n3.282046 0.000000 3.282046\n3.282046 3.282046 0.000000\nLu Hf Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Hf",
"Ru"
],
"chemical_system": "Hf-Lu-Ru",
"density": 13.048031690312856,
"density_atomic": 0.056571279907673584,
"volume": 70.70725651829245,
"volume_molar": 10.645226287664618,
"formula_full": "Lu1 Hf1 Ru2",
"formula_reduced": "LuHfRu2",
"formula_anonymous": "ABC2",
"energy": -35.69862587,
"energy_per_atom": -8.9246564675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.69862587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.040000Z",
"spacegroup": 225
},
{
"id": "mp-1192029",
"created_at": "2022-09-04T14:39:31.503169Z",
"structure_string": "Tm6 Al2 Ni16\n1.0\n2.506237 -4.340930 0.000000\n2.506237 4.340930 0.000000\n0.000000 0.000000 15.962697\nTm Al Ni\n6 2 16\ndirect\n0.333333 0.666667 0.959124 Tm\n0.666667 0.333333 0.040876 Tm\n0.666667 0.333333 0.459124 Tm\n0.333333 0.666667 0.540876 Tm\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.167897 0.832103 0.373692 Ni\n0.167897 0.335794 0.373692 Ni\n0.664206 0.832103 0.373692 Ni\n0.832103 0.167897 0.626308 Ni\n0.832103 0.664206 0.626308 Ni\n0.335794 0.167897 0.626308 Ni\n0.832103 0.167897 0.873692 Ni\n0.832103 0.664206 0.873692 Ni\n0.335794 0.167897 0.873692 Ni\n0.167897 0.832103 0.126308 Ni\n0.167897 0.335794 0.126308 Ni\n0.664206 0.832103 0.126308 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Tm",
"density": 9.593615266724083,
"density_atomic": 0.06909872852963189,
"volume": 347.32911170294517,
"volume_molar": 8.715270003003747,
"formula_full": "Tm6 Al2 Ni16",
"formula_reduced": "Tm3AlNi8",
"formula_anonymous": "AB3C8",
"energy": -138.95207183,
"energy_per_atom": -5.789669659583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.95207183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0136547,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.101000Z",
"spacegroup": 194
},
{
"id": "mp-540553",
"created_at": "2022-09-04T14:39:31.512402Z",
"structure_string": "Te7 O6 F30\n1.0\n9.103319 0.000000 0.000000\n-1.601857 9.174092 0.000000\n-1.660639 -4.366953 8.100034\nTe O F\n7 6 30\ndirect\n0.000000 0.000000 0.000000 Te\n0.248687 0.394245 0.084363 Te\n0.751313 0.605755 0.915637 Te\n0.773791 0.242152 0.239131 Te\n0.226209 0.757848 0.760869 Te\n0.241745 0.074966 0.392842 Te\n0.758255 0.925034 0.607158 Te\n0.059187 0.220137 0.016800 O\n0.940813 0.779863 0.983200 O\n0.883674 0.074918 0.162327 O\n0.116326 0.925082 0.837673 O\n0.188475 0.054175 0.172938 O\n0.811525 0.945825 0.827062 O\n0.131188 0.545246 0.140314 F\n0.868812 0.454754 0.859686 F\n0.296873 0.427073 0.300986 F\n0.703127 0.572927 0.699014 F\n0.369654 0.246076 0.028876 F\n0.630346 0.753924 0.971124 F\n0.205436 0.370143 0.871204 F\n0.794564 0.629857 0.128796 F\n0.424637 0.567651 0.147179 F\n0.575363 0.432349 0.852821 F\n0.820001 0.243934 0.442525 F\n0.179999 0.756066 0.557475 F\n0.954412 0.414864 0.314047 F\n0.045588 0.585136 0.685953 F\n0.724820 0.244118 0.037236 F\n0.275180 0.755882 0.962764 F\n0.590674 0.074851 0.169678 F\n0.409326 0.925149 0.830322 F\n0.665977 0.398890 0.320136 F\n0.334023 0.601110 0.679864 F\n0.428781 0.227271 0.438595 F\n0.571219 0.772729 0.561405 F\n0.150469 0.247571 0.475575 F\n0.849531 0.752429 0.524425 F\n0.056236 0.921242 0.349931 F\n0.943764 0.078758 0.650069 F\n0.337132 0.904883 0.319247 F\n0.662868 0.095117 0.680753 F\n0.303681 0.099390 0.605043 F\n0.696319 0.900610 0.394957 F\n",
"nsites": 43,
"nelements": 3,
"elements": [
"Te",
"O",
"F"
],
"chemical_system": "F-O-Te",
"density": 3.8272504527397877,
"density_atomic": 0.06356510388475028,
"volume": 676.4717961912432,
"volume_molar": 9.473972969380696,
"formula_full": "Te7 O6 F30",
"formula_reduced": "Te7(OF5)6",
"formula_anonymous": "A6B7C30",
"energy": -203.01162537,
"energy_per_atom": -4.72120059,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.02962537,
"band_gap": 2.9024,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.631000Z",
"spacegroup": 2
},
{
"id": "mp-1183943",
"created_at": "2022-09-04T14:39:31.538412Z",
"structure_string": "Cs3 Yb1\n1.0\n7.108280 0.000000 0.000000\n0.000000 7.108280 0.000000\n0.000000 0.000000 7.108280\nCs Yb\n3 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Yb"
],
"chemical_system": "Cs-Yb",
"density": 2.643422112232733,
"density_atomic": 0.01113695363051883,
"volume": 359.16464526158353,
"volume_molar": 54.07350124451808,
"formula_full": "Cs3 Yb1",
"formula_reduced": "Cs3Yb",
"formula_anonymous": "AB3",
"energy": -3.46184103,
"energy_per_atom": -0.8654602575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.46184103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0641004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.269000Z",
"spacegroup": 221
},
{
"id": "mp-1399685",
"created_at": "2022-09-04T14:39:30.969625Z",
"structure_string": "Sb4 O10\n1.0\n3.716966 0.000000 0.000000\n0.000000 5.834871 0.000000\n0.000000 0.000000 10.251042\nSb O\n4 10\ndirect\n0.500000 0.722852 0.360277 Sb\n0.500000 0.277148 0.639723 Sb\n0.500000 0.222852 0.139723 Sb\n0.500000 0.777148 0.860277 Sb\n0.000000 0.795294 0.403065 O\n0.000000 0.204706 0.596935 O\n0.000000 0.295294 0.096935 O\n0.000000 0.704706 0.903065 O\n0.500000 0.049231 0.298338 O\n0.500000 0.950769 0.701662 O\n0.500000 0.549231 0.201662 O\n0.500000 0.450769 0.798338 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 4.832683344801252,
"density_atomic": 0.0629709398661298,
"volume": 222.32477440804698,
"volume_molar": 9.563364899432177,
"formula_full": "Sb4 O10",
"formula_reduced": "Sb2O5",
"formula_anonymous": "A2B5",
"energy": -87.33808084,
"energy_per_atom": -6.238434345714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.46808084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.241000Z",
"spacegroup": 55
},
{
"id": "mp-1396276",
"created_at": "2022-09-04T14:39:31.545305Z",
"structure_string": "Ca1 La2 Sn1 O6\n1.0\n5.077375 -2.999995 0.000000\n5.077375 2.999995 0.000000\n3.304810 0.000000 4.884458\nCa La Sn O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.763678 0.763678 0.763678 La\n0.236322 0.236322 0.236322 La\n0.000000 0.000000 0.000000 Sn\n0.782960 0.345383 0.128100 O\n0.128100 0.782960 0.345383 O\n0.345383 0.128100 0.782960 O\n0.217040 0.654617 0.871900 O\n0.654617 0.871900 0.217040 O\n0.871900 0.217040 0.654617 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"La",
"Sn",
"O"
],
"chemical_system": "Ca-La-O-Sn",
"density": 5.943473261322795,
"density_atomic": 0.06720380353938364,
"volume": 148.80110162425063,
"volume_molar": 8.961011792243019,
"formula_full": "Ca1 La2 Sn1 O6",
"formula_reduced": "CaLa2SnO6",
"formula_anonymous": "ABC2D6",
"energy": -78.0596328,
"energy_per_atom": -7.80596328,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.9376328,
"band_gap": 3.8928,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.440000Z",
"spacegroup": 148
},
{
"id": "mp-649331",
"created_at": "2022-09-04T14:39:32.517881Z",
"structure_string": "Sm22 Co80 B80\n1.0\n7.039273 0.000000 0.000000\n0.000000 7.039273 0.000000\n0.000000 0.000000 38.625723\nSm Co B\n22 80 80\ndirect\n0.000000 0.000000 0.682513 Sm\n0.500000 0.500000 0.272960 Sm\n0.000000 0.000000 0.772960 Sm\n0.000000 0.000000 0.408744 Sm\n0.500000 0.500000 0.727040 Sm\n0.500000 0.500000 0.454519 Sm\n0.500000 0.500000 0.182513 Sm\n0.000000 0.000000 0.136475 Sm\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.817487 Sm\n0.000000 0.000000 0.227040 Sm\n0.500000 0.500000 0.091256 Sm\n0.500000 0.500000 0.908744 Sm\n0.500000 0.500000 0.363525 Sm\n0.000000 0.000000 0.954519 Sm\n0.000000 0.000000 0.317487 Sm\n0.000000 0.000000 0.863525 Sm\n0.500000 0.500000 0.636475 Sm\n0.500000 0.500000 0.545481 Sm\n0.000000 0.000000 0.045481 Sm\n0.000000 0.000000 0.591256 Sm\n0.500000 0.500000 0.000000 Sm\n0.119427 0.635763 0.439805 Co\n0.383540 0.853650 0.411135 Co\n0.356758 0.882959 0.812239 Co\n0.856758 0.617041 0.687761 Co\n0.125483 0.628048 0.838649 Co\n0.146350 0.383540 0.588866 Co\n0.869646 0.623135 0.389348 Co\n0.364237 0.119427 0.560195 Co\n0.640518 0.117383 0.010188 Co\n0.616460 0.146350 0.411135 Co\n0.116460 0.353650 0.088865 Co\n0.133475 0.378525 0.788069 Co\n0.871952 0.374517 0.338649 Co\n0.880767 0.361127 0.737786 Co\n0.878525 0.633475 0.288069 Co\n0.361127 0.119233 0.262214 Co\n0.855662 0.383523 0.039424 Co\n0.380573 0.135763 0.060195 Co\n0.117383 0.359482 0.989812 Co\n0.616165 0.853499 0.861810 Co\n0.116165 0.646501 0.638190 Co\n0.646350 0.116460 0.911134 Co\n0.882959 0.643242 0.187761 Co\n0.138873 0.619233 0.237786 Co\n0.643242 0.117041 0.812239 Co\n0.876865 0.630354 0.889348 Co\n0.144338 0.616477 0.039424 Co\n0.359482 0.882617 0.010188 Co\n0.861127 0.380767 0.237786 Co\n0.140518 0.382617 0.489812 Co\n0.371952 0.125483 0.161351 Co\n0.383523 0.144338 0.960576 Co\n0.621475 0.133475 0.211931 Co\n0.619233 0.861127 0.762214 Co\n0.380767 0.138873 0.762214 Co\n0.859482 0.617383 0.489812 Co\n0.117041 0.356758 0.187761 Co\n0.143242 0.382959 0.687761 Co\n0.853499 0.383835 0.138190 Co\n0.880573 0.364237 0.439805 Co\n0.376865 0.869646 0.610652 Co\n0.883540 0.646350 0.088865 Co\n0.616477 0.855662 0.960576 Co\n0.853650 0.616460 0.588866 Co\n0.619427 0.864237 0.060195 Co\n0.353650 0.883540 0.911134 Co\n0.135763 0.619427 0.939805 Co\n0.383835 0.146501 0.861810 Co\n0.866525 0.621475 0.788069 Co\n0.382959 0.856758 0.312239 Co\n0.374517 0.128048 0.661351 Co\n0.635763 0.880573 0.560195 Co\n0.121475 0.366525 0.288069 Co\n0.625483 0.871952 0.661351 Co\n0.882617 0.640518 0.989812 Co\n0.146501 0.616165 0.138190 Co\n0.864237 0.380573 0.939805 Co\n0.633475 0.121475 0.711931 Co\n0.355662 0.116477 0.460576 Co\n0.130354 0.376865 0.389348 Co\n0.123135 0.369646 0.889348 Co\n0.630354 0.123135 0.110652 Co\n0.628048 0.874517 0.161351 Co\n0.646501 0.883835 0.361810 Co\n0.638873 0.880767 0.262214 Co\n0.128048 0.625483 0.338649 Co\n0.883835 0.353499 0.638190 Co\n0.353499 0.116165 0.361810 Co\n0.644338 0.883523 0.460576 Co\n0.617041 0.143242 0.312239 Co\n0.119233 0.638873 0.737786 Co\n0.874517 0.371952 0.838649 Co\n0.366525 0.878525 0.711931 Co\n0.378525 0.866525 0.211931 Co\n0.116477 0.644338 0.539424 Co\n0.617383 0.140518 0.510188 Co\n0.623135 0.130354 0.610652 Co\n0.883523 0.355662 0.539424 Co\n0.369646 0.876865 0.110652 Co\n0.382617 0.859482 0.510188 Co\n0.663049 0.793625 0.411057 B\n0.294339 0.835734 0.361575 B\n0.699321 0.836691 0.010059 B\n0.674141 0.175885 0.160869 B\n0.705661 0.164266 0.361575 B\n0.167223 0.309541 0.738153 B\n0.668482 0.817834 0.610326 B\n0.336691 0.199321 0.510059 B\n0.334780 0.808629 0.060000 B\n0.164266 0.294339 0.638425 B\n0.808629 0.665220 0.940000 B\n0.175885 0.325859 0.839131 B\n0.794339 0.664266 0.138425 B\n0.834780 0.691371 0.440000 B\n0.801450 0.334194 0.688106 B\n0.308629 0.834780 0.560000 B\n0.165220 0.308629 0.440000 B\n0.328880 0.182199 0.211479 B\n0.317801 0.171120 0.711479 B\n0.325859 0.824115 0.160869 B\n0.317834 0.168482 0.110326 B\n0.706375 0.836951 0.911057 B\n0.293625 0.163049 0.911057 B\n0.682166 0.831518 0.110326 B\n0.704649 0.162735 0.460460 B\n0.190459 0.332777 0.238153 B\n0.834194 0.301450 0.188106 B\n0.835734 0.705661 0.638425 B\n0.690459 0.167223 0.261847 B\n0.793625 0.336951 0.588943 B\n0.831518 0.317834 0.889674 B\n0.800679 0.336691 0.489941 B\n0.665806 0.801450 0.311894 B\n0.182199 0.671120 0.788521 B\n0.174141 0.324115 0.339131 B\n0.662735 0.204649 0.960460 B\n0.332777 0.809541 0.761847 B\n0.191371 0.334780 0.940000 B\n0.682199 0.828880 0.711479 B\n0.163309 0.699321 0.989941 B\n0.832777 0.690459 0.738153 B\n0.817801 0.328880 0.788521 B\n0.309541 0.832777 0.261847 B\n0.837265 0.704649 0.539540 B\n0.324115 0.825859 0.660869 B\n0.337265 0.795351 0.960460 B\n0.295351 0.837265 0.460460 B\n0.828880 0.317801 0.288521 B\n0.182166 0.668482 0.389674 B\n0.171120 0.682199 0.288521 B\n0.691371 0.165220 0.560000 B\n0.331518 0.182166 0.610326 B\n0.836951 0.293625 0.088943 B\n0.698550 0.834194 0.811894 B\n0.168482 0.682166 0.889674 B\n0.336951 0.206375 0.411057 B\n0.667223 0.190459 0.761847 B\n0.664266 0.205661 0.861575 B\n0.165806 0.698550 0.188106 B\n0.300679 0.163309 0.010059 B\n0.334194 0.198550 0.311894 B\n0.809541 0.667223 0.238153 B\n0.335734 0.794339 0.861575 B\n0.163049 0.706375 0.088943 B\n0.836691 0.300679 0.989941 B\n0.795351 0.662735 0.039540 B\n0.301450 0.165806 0.811894 B\n0.198550 0.665806 0.688106 B\n0.824115 0.674141 0.839131 B\n0.206375 0.663049 0.588943 B\n0.204649 0.337265 0.039540 B\n0.162735 0.295351 0.539540 B\n0.205661 0.335734 0.138425 B\n0.665220 0.191371 0.060000 B\n0.199321 0.663309 0.489941 B\n0.663309 0.800679 0.510059 B\n0.671120 0.817801 0.211479 B\n0.825859 0.675885 0.339131 B\n0.675885 0.174141 0.660869 B\n0.817834 0.331518 0.389674 B\n",
"nsites": 182,
"nelements": 3,
"elements": [
"Sm",
"Co",
"B"
],
"chemical_system": "B-Co-Sm",
"density": 7.710708814711641,
"density_atomic": 0.09509094191239169,
"volume": 1913.957274370871,
"volume_molar": 6.33303303015787,
"formula_full": "Sm22 Co80 B80",
"formula_reduced": "Sm11(CoB)40",
"formula_anonymous": "A11B40C40",
"energy": -1293.21145966,
"energy_per_atom": -7.10555747065934,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1293.21145966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0445174,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.331000Z",
"spacegroup": 114
}
]
}