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=formation_energy&page=12169",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=12167",
"results": [
{
"id": "mp-1180",
"created_at": "2022-09-04T14:48:07.061873Z",
"structure_string": "Mn1 Pt3\n1.0\n3.936087 0.000000 0.000000\n0.000000 3.936087 0.000000\n0.000000 0.000000 3.936087\nMn Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt",
"density": 17.432671505765754,
"density_atomic": 0.06559427312984353,
"volume": 60.98093338243142,
"volume_molar": 9.180894112629623,
"formula_full": "Mn1 Pt3",
"formula_reduced": "MnPt3",
"formula_anonymous": "AB3",
"energy": -28.79002885,
"energy_per_atom": -7.1975072125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79002885,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1149618,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.823000Z",
"spacegroup": 221
},
{
"id": "mp-758834",
"created_at": "2022-09-04T14:48:07.063524Z",
"structure_string": "Mn3 Ni34 O40\n1.0\n0.000000 -4.216123 -4.216123\n0.000000 4.216123 -4.216123\n21.060098 0.000000 4.216123\nMn Ni O\n3 34 40\ndirect\n0.599665 0.599665 0.199329 Mn\n0.200000 0.200000 0.400000 Mn\n0.800335 0.800335 0.600671 Mn\n0.500177 0.000177 0.000354 Ni\n0.999324 0.999324 0.998648 Ni\n0.000177 0.500177 0.000354 Ni\n0.499936 0.499936 0.999871 Ni\n0.807183 0.807183 0.101066 Ni\n0.293884 0.807183 0.101066 Ni\n0.807183 0.293884 0.101066 Ni\n0.293884 0.293884 0.101066 Ni\n0.100207 0.600207 0.200414 Ni\n0.600207 0.100207 0.200414 Ni\n0.399769 0.399769 0.299933 Ni\n0.900165 0.399769 0.299933 Ni\n0.900165 0.900165 0.299933 Ni\n0.399769 0.900165 0.299933 Ni\n0.700000 0.200000 0.400000 Ni\n0.200000 0.700000 0.400000 Ni\n0.499835 0.499835 0.500067 Ni\n0.000231 0.000231 0.500067 Ni\n0.000231 0.499835 0.500067 Ni\n0.499835 0.000231 0.500067 Ni\n0.299793 0.799793 0.599586 Ni\n0.799793 0.299793 0.599586 Ni\n0.592817 0.106116 0.698934 Ni\n0.592817 0.592817 0.698934 Ni\n0.106116 0.106116 0.698934 Ni\n0.106116 0.592817 0.698934 Ni\n0.399823 0.899823 0.799646 Ni\n0.900064 0.900064 0.800129 Ni\n0.400676 0.400676 0.801352 Ni\n0.899823 0.399823 0.799646 Ni\n0.700000 0.200000 0.900000 Ni\n0.700000 0.700000 0.900000 Ni\n0.200000 0.200000 0.900000 Ni\n0.200000 0.700000 0.900000 Ni\n0.747555 0.252708 0.000263 O\n0.252708 0.252708 0.000263 O\n0.252708 0.747555 0.000263 O\n0.747555 0.747555 0.000263 O\n0.046841 0.046841 0.093683 O\n0.550449 0.050449 0.100898 O\n0.050449 0.550449 0.100898 O\n0.552620 0.552620 0.105239 O\n0.370953 0.829615 0.200568 O\n0.829615 0.829615 0.200568 O\n0.829615 0.370953 0.200568 O\n0.370953 0.370953 0.200568 O\n0.645203 0.645203 0.290406 O\n0.150205 0.650205 0.300410 O\n0.650205 0.150205 0.300410 O\n0.154160 0.154160 0.308321 O\n0.970451 0.429549 0.400000 O\n0.429549 0.429549 0.400000 O\n0.429549 0.970451 0.400000 O\n0.970451 0.970451 0.400000 O\n0.245840 0.245840 0.491679 O\n0.749795 0.249795 0.499590 O\n0.249795 0.749795 0.499590 O\n0.754797 0.754797 0.509594 O\n0.570385 0.029047 0.599432 O\n0.029047 0.029047 0.599432 O\n0.570385 0.570385 0.599432 O\n0.029047 0.570385 0.599432 O\n0.847380 0.847380 0.694761 O\n0.349551 0.849551 0.699102 O\n0.849551 0.349551 0.699102 O\n0.353159 0.353159 0.706317 O\n0.147292 0.652445 0.799737 O\n0.652445 0.147292 0.799737 O\n0.147292 0.147292 0.799737 O\n0.652445 0.652445 0.799737 O\n0.450080 0.450080 0.900161 O\n0.950000 0.450000 0.900000 O\n0.450000 0.950000 0.900000 O\n0.949920 0.949920 0.899839 O\n",
"nsites": 77,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 6.21079113296987,
"density_atomic": 0.10284277744137228,
"volume": 748.715679561411,
"volume_molar": 5.855676898101133,
"formula_full": "Mn3 Ni34 O40",
"formula_reduced": "Mn3(Ni17O20)2",
"formula_anonymous": "A3B34C40",
"energy": -519.29866849,
"energy_per_atom": -6.744138551818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -400.42066849,
"band_gap": 1.1391999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 76.9958138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.616000Z",
"spacegroup": 139
},
{
"id": "mp-281",
"created_at": "2022-09-04T14:48:07.065914Z",
"structure_string": "Yb2 Co4\n1.0\n0.000000 3.554107 3.554107\n3.554107 0.000000 3.554107\n3.554107 3.554107 0.000000\nYb Co\n2 4\ndirect\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Co"
],
"chemical_system": "Co-Yb",
"density": 10.759965103250984,
"density_atomic": 0.06682358312602708,
"volume": 89.78866022021293,
"volume_molar": 9.011999174965581,
"formula_full": "Yb2 Co4",
"formula_reduced": "YbCo2",
"formula_anonymous": "AB2",
"energy": -31.8830955,
"energy_per_atom": -5.31384925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.8830955,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.1063394,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.083000Z",
"spacegroup": 227
},
{
"id": "mp-1044194",
"created_at": "2022-09-04T14:48:07.066642Z",
"structure_string": "Bi4 Mo4 O20\n1.0\n5.785834 -0.097829 0.000751\n-2.627746 8.809761 0.003017\n0.001706 0.004446 11.384064\nBi Mo O\n4 4 20\ndirect\n0.166694 0.166458 0.089000 Bi\n0.833337 0.833537 0.910989 Bi\n0.666072 0.666333 0.410989 Bi\n0.333927 0.333663 0.589012 Bi\n0.785687 0.947649 0.643602 Mo\n0.214302 0.052351 0.356394 Mo\n0.713912 0.552181 0.143433 Mo\n0.286087 0.447822 0.856568 Mo\n0.533379 0.368394 0.085716 O\n0.074545 0.333844 0.965452 O\n0.526887 0.657141 0.203591 O\n0.679638 0.512697 0.552863 O\n0.870681 0.529416 0.273345 O\n0.370422 0.029207 0.226664 O\n0.574355 0.833682 0.534393 O\n0.425639 0.166317 0.465611 O\n0.320356 0.487301 0.447139 O\n0.966535 0.131433 0.585845 O\n0.129315 0.470586 0.726657 O\n0.466620 0.631611 0.914287 O\n0.033455 0.868571 0.414157 O\n0.629576 0.970791 0.773342 O\n0.821170 0.987488 0.052637 O\n0.178851 0.012512 0.947350 O\n0.473107 0.342859 0.796416 O\n0.925450 0.666154 0.034550 O\n0.972512 0.842714 0.703996 O\n0.027489 0.157288 0.296001 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Bi",
"Mo",
"O"
],
"chemical_system": "Bi-Mo-O",
"density": 4.428382560437288,
"density_atomic": 0.04849830168526805,
"volume": 577.3398042205123,
"volume_molar": 12.417219883452738,
"formula_full": "Bi4 Mo4 O20",
"formula_reduced": "BiMoO5",
"formula_anonymous": "ABC5",
"energy": -201.57878102,
"energy_per_atom": -7.199242179285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.03078102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5313676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.656000Z",
"spacegroup": 14
},
{
"id": "mp-1185667",
"created_at": "2022-09-04T14:48:07.067502Z",
"structure_string": "Na3 Ge1\n1.0\n0.000000 3.712935 3.712935\n3.712935 0.000000 3.712935\n3.712935 3.712935 0.000000\nNa Ge\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ge"
],
"chemical_system": "Ge-Na",
"density": 2.2969887212702433,
"density_atomic": 0.039073107889296015,
"volume": 102.37219960421399,
"volume_molar": 15.412494898184821,
"formula_full": "Na3 Ge1",
"formula_reduced": "Na3Ge",
"formula_anonymous": "AB3",
"energy": -8.58588192,
"energy_per_atom": -2.14647048,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.58588192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0176218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.667000Z",
"spacegroup": 225
},
{
"id": "mp-998947",
"created_at": "2022-09-04T14:48:07.068493Z",
"structure_string": "Ti1 Ru3\n1.0\n3.859584 0.000000 0.000000\n0.000000 3.859584 0.000000\n0.000000 0.000000 3.859584\nTi Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ru"
],
"chemical_system": "Ru-Ti",
"density": 10.139813893026869,
"density_atomic": 0.06957264254293341,
"volume": 57.493863303116484,
"volume_molar": 8.655903441189151,
"formula_full": "Ti1 Ru3",
"formula_reduced": "TiRu3",
"formula_anonymous": "AB3",
"energy": -36.5519635,
"energy_per_atom": -9.137990875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.5519635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.944000Z",
"spacegroup": 221
},
{
"id": "mp-555442",
"created_at": "2022-09-04T14:48:07.088042Z",
"structure_string": "Ni7 Te6 Cl2 O18\n1.0\n5.591416 -5.650256 0.000000\n5.591416 5.650256 0.000000\n-0.118299 0.000000 7.948292\nNi Te Cl O\n7 6 2 18\ndirect\n0.459012 0.130997 0.380049 Ni\n0.380049 0.459012 0.130997 Ni\n0.869003 0.619951 0.540988 Ni\n0.130997 0.380049 0.459012 Ni\n0.500000 0.500000 0.500000 Ni\n0.619951 0.540988 0.869003 Ni\n0.540988 0.869003 0.619951 Ni\n0.793980 0.306261 0.205024 Te\n0.306261 0.205024 0.793980 Te\n0.693739 0.794976 0.206020 Te\n0.205024 0.793980 0.306261 Te\n0.794976 0.206020 0.693739 Te\n0.206020 0.693739 0.794976 Te\n0.795489 0.795489 0.795489 Cl\n0.204511 0.204511 0.204511 Cl\n0.082785 0.533121 0.661190 O\n0.427451 0.005722 0.801141 O\n0.198859 0.572549 0.994278 O\n0.338810 0.917215 0.466879 O\n0.711039 0.433526 0.645211 O\n0.801141 0.427451 0.005722 O\n0.005722 0.801141 0.427451 O\n0.466879 0.338810 0.917215 O\n0.645211 0.711039 0.433526 O\n0.288961 0.566474 0.354789 O\n0.661190 0.082785 0.533121 O\n0.572549 0.994278 0.198859 O\n0.354789 0.288961 0.566474 O\n0.533121 0.661190 0.082785 O\n0.917215 0.466879 0.338810 O\n0.994278 0.198859 0.572549 O\n0.433526 0.645211 0.711039 O\n0.566474 0.354789 0.288961 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Ni",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Ni-O-Te",
"density": 5.076477535200653,
"density_atomic": 0.06570829535520537,
"volume": 502.21969420464904,
"volume_molar": 9.16496269983198,
"formula_full": "Ni7 Te6 Cl2 O18",
"formula_reduced": "Ni7Te6(ClO9)2",
"formula_anonymous": "A2B6C7D18",
"energy": -197.92833403,
"energy_per_atom": -5.997828303939394,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.54733403,
"band_gap": 2.6621,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9998575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.189000Z",
"spacegroup": 148
},
{
"id": "mp-554616",
"created_at": "2022-09-04T14:48:07.055353Z",
"structure_string": "Si2 Ni4 P8 O28\n1.0\n2.487139 8.530751 0.000000\n-2.487139 8.530751 0.000000\n0.000000 2.901083 11.994326\nSi Ni P O\n2 4 8 28\ndirect\n0.659344 0.340656 0.750000 Si\n0.340656 0.659344 0.250000 Si\n0.897703 0.597391 0.371004 Ni\n0.402609 0.102297 0.128996 Ni\n0.597391 0.897703 0.871004 Ni\n0.102297 0.402609 0.628996 Ni\n0.994293 0.258856 0.863543 P\n0.198003 0.529467 0.916124 P\n0.005707 0.741144 0.136457 P\n0.470533 0.801997 0.583876 P\n0.258856 0.994293 0.363543 P\n0.529467 0.198003 0.416124 P\n0.741144 0.005707 0.636457 P\n0.801997 0.470533 0.083876 P\n0.805639 0.103189 0.677735 O\n0.623146 0.186963 0.518492 O\n0.103189 0.805639 0.177735 O\n0.698354 0.013501 0.120501 O\n0.301646 0.986499 0.879499 O\n0.467972 0.404632 0.332339 O\n0.194361 0.896811 0.322265 O\n0.497776 0.890839 0.292937 O\n0.404632 0.467972 0.832339 O\n0.890839 0.497776 0.792937 O\n0.813037 0.376854 0.981508 O\n0.917808 0.772161 0.868151 O\n0.772161 0.917808 0.368151 O\n0.013501 0.698354 0.620501 O\n0.260987 0.329789 0.455585 O\n0.227839 0.082192 0.631849 O\n0.986499 0.301646 0.379499 O\n0.329789 0.260987 0.955585 O\n0.376854 0.813037 0.481508 O\n0.082192 0.227839 0.131849 O\n0.109161 0.502224 0.207063 O\n0.739013 0.670211 0.544415 O\n0.502224 0.109161 0.707063 O\n0.595368 0.532028 0.167661 O\n0.896811 0.194361 0.822265 O\n0.186963 0.623146 0.018492 O\n0.532028 0.595368 0.667661 O\n0.670211 0.739013 0.044415 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Si",
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P-Si",
"density": 3.219207233846239,
"density_atomic": 0.08251941164654197,
"volume": 508.9711519018087,
"volume_molar": 7.297847427457223,
"formula_full": "Si2 Ni4 P8 O28",
"formula_reduced": "SiNi2(P2O7)2",
"formula_anonymous": "AB2C4D14",
"energy": -321.04229431,
"energy_per_atom": -7.643864150238095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -291.64229431,
"band_gap": 4.1276,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9975742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.100000Z",
"spacegroup": 15
},
{
"id": "mp-1205226",
"created_at": "2022-09-04T14:48:07.087819Z",
"structure_string": "Zr4 Cu6 O32 F28\n1.0\n11.556217 0.000000 0.000000\n0.000000 9.976456 0.000000\n0.000000 0.171023 10.333410\nZr Cu O F\n4 6 32 28\ndirect\n0.048437 0.965610 0.162422 Zr\n0.548437 0.534390 0.837578 Zr\n0.951563 0.034390 0.837578 Zr\n0.451563 0.465610 0.162422 Zr\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.619730 0.764872 0.546045 Cu\n0.119730 0.735128 0.453955 Cu\n0.380270 0.235128 0.453955 Cu\n0.880270 0.264872 0.546045 Cu\n0.406586 0.151389 0.974561 O\n0.906586 0.348611 0.025439 O\n0.593414 0.848611 0.025439 O\n0.093414 0.651389 0.974561 O\n0.091619 0.379351 0.068574 O\n0.591619 0.120649 0.931426 O\n0.908381 0.620649 0.931426 O\n0.408381 0.879351 0.068574 O\n0.070035 0.422104 0.746464 O\n0.570035 0.077896 0.253536 O\n0.929965 0.577896 0.253536 O\n0.429965 0.922104 0.746464 O\n0.489104 0.935709 0.648760 O\n0.989104 0.564291 0.351240 O\n0.510896 0.064291 0.351240 O\n0.010896 0.435709 0.648760 O\n0.395702 0.731186 0.462985 O\n0.895702 0.768814 0.537015 O\n0.604298 0.268814 0.537015 O\n0.104298 0.231186 0.462985 O\n0.838047 0.686327 0.598119 O\n0.338047 0.813673 0.401881 O\n0.161953 0.313673 0.401881 O\n0.661953 0.186327 0.598119 O\n0.663373 0.736511 0.373078 O\n0.163373 0.763489 0.626922 O\n0.336627 0.263489 0.626922 O\n0.836627 0.236511 0.373078 O\n0.682229 0.915472 0.501090 O\n0.182229 0.584528 0.498910 O\n0.317771 0.084528 0.498910 O\n0.817771 0.415472 0.501090 O\n0.930456 0.823815 0.173653 F\n0.430456 0.676185 0.826347 F\n0.069544 0.176185 0.826347 F\n0.569544 0.323815 0.173653 F\n0.091919 0.950277 0.968751 F\n0.591919 0.549723 0.031249 F\n0.908081 0.049723 0.031249 F\n0.408081 0.450277 0.968751 F\n0.060561 0.882452 0.369840 F\n0.560561 0.617548 0.630160 F\n0.939439 0.117548 0.630160 F\n0.439439 0.382452 0.369840 F\n0.472085 0.642082 0.234459 F\n0.972085 0.857918 0.765541 F\n0.527915 0.357918 0.765541 F\n0.027915 0.142082 0.234459 F\n0.816065 0.096570 0.362229 F\n0.316065 0.403430 0.637771 F\n0.183935 0.903430 0.637771 F\n0.683935 0.596570 0.362229 F\n0.146108 0.689680 0.094797 F\n0.646108 0.810320 0.905203 F\n0.853892 0.310320 0.905203 F\n0.353892 0.189680 0.094797 F\n0.215739 0.951406 0.194456 F\n0.715739 0.548594 0.805544 F\n0.784261 0.048594 0.805544 F\n0.284261 0.451406 0.194456 F\n",
"nsites": 70,
"nelements": 4,
"elements": [
"Zr",
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-O-Zr",
"density": 2.495127320341819,
"density_atomic": 0.0587573768354915,
"volume": 1191.33977331877,
"volume_molar": 10.249165439874467,
"formula_full": "Zr4 Cu6 O32 F28",
"formula_reduced": "Zr2Cu3(O8F7)2",
"formula_anonymous": "A2B3C14D16",
"energy": -351.73090777000004,
"energy_per_atom": -5.024727253857144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -333.64290777,
"band_gap": 0.1886000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 26.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.893000Z",
"spacegroup": 14
},
{
"id": "mp-4913",
"created_at": "2022-09-04T14:48:07.089155Z",
"structure_string": "Li1 Ga2 Rh1\n1.0\n0.000000 3.044463 3.044463\n3.044463 0.000000 3.044463\n3.044463 3.044463 0.000000\nLi Ga Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Rh"
],
"chemical_system": "Ga-Li-Rh",
"density": 7.334934054721043,
"density_atomic": 0.07087578705033254,
"volume": 56.43676305364192,
"volume_molar": 8.496753278694976,
"formula_full": "Li1 Ga2 Rh1",
"formula_reduced": "LiGa2Rh",
"formula_anonymous": "ABC2",
"energy": -17.54641671,
"energy_per_atom": -4.3866041775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.54641671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.84e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.632000Z",
"spacegroup": 225
},
{
"id": "mp-1103548",
"created_at": "2022-09-04T14:48:07.090859Z",
"structure_string": "Ce3 Si4 Pd4\n1.0\n-2.049312 2.111533 12.351050\n2.049312 -2.111533 12.351050\n2.049312 2.111533 -12.351050\nCe Si Pd\n3 4 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.646209 0.146209 0.500000 Ce\n0.353791 0.853791 0.500000 Ce\n0.803765 0.303765 0.500000 Si\n0.196235 0.696235 0.500000 Si\n0.548432 0.548432 0.000000 Si\n0.451568 0.451568 0.000000 Si\n0.902649 0.402649 0.500000 Pd\n0.097351 0.597351 0.500000 Pd\n0.750528 0.750528 0.000000 Pd\n0.249472 0.249472 0.000000 Pd\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Pd"
],
"chemical_system": "Ce-Pd-Si",
"density": 7.44410483184831,
"density_atomic": 0.0514544402053347,
"volume": 213.78135601326667,
"volume_molar": 11.703831070686947,
"formula_full": "Ce3 Si4 Pd4",
"formula_reduced": "Ce3(SiPd)4",
"formula_anonymous": "A3B4C4",
"energy": -70.14289597,
"energy_per_atom": -6.3766269063636365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.14289597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2289625,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.850000Z",
"spacegroup": 71
},
{
"id": "mp-10142",
"created_at": "2022-09-04T14:48:07.099490Z",
"structure_string": "Ta3 B4\n1.0\n-1.572998 1.655081 7.034996\n1.572998 -1.655081 7.034996\n1.572998 1.655081 -7.034996\nTa B\n3 4\ndirect\n0.000000 0.500000 0.500000 Ta\n0.185262 0.185262 0.000000 Ta\n0.814738 0.814738 0.000000 Ta\n0.366523 0.366523 0.000000 B\n0.633477 0.633477 0.000000 B\n0.435759 0.935759 0.500000 B\n0.564241 0.064241 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"B"
],
"chemical_system": "B-Ta",
"density": 13.28435247984026,
"density_atomic": 0.09554913732132216,
"volume": 73.26073469883566,
"volume_molar": 6.3026636648200665,
"formula_full": "Ta3 B4",
"formula_reduced": "Ta3B4",
"formula_anonymous": "A3B4",
"energy": -67.70295838,
"energy_per_atom": -9.671851197142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.70295838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006494,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.244000Z",
"spacegroup": 71
}
]
}