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=-energy_per_atom&page=141",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=139",
"results": [
{
"id": "mp-1026568",
"created_at": "2022-09-04T14:41:51.799798Z",
"structure_string": "Cs1 Mg14 Sb1\n1.0\n6.513440 -0.000000 0.000000\n-3.256720 5.640804 -0.000000\n-0.000000 0.000000 11.123327\nCs Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Cs\n0.171104 0.835551 0.125000 Mg\n0.160752 0.830375 0.625000 Mg\n0.664449 0.328896 0.125000 Mg\n0.669625 0.339248 0.625000 Mg\n0.664449 0.835551 0.125000 Mg\n0.669625 0.830375 0.625000 Mg\n0.337406 0.162594 0.389318 Mg\n0.337406 0.162594 0.860682 Mg\n0.337406 0.674812 0.389318 Mg\n0.337406 0.674812 0.860682 Mg\n0.825188 0.162594 0.389318 Mg\n0.825188 0.162594 0.860682 Mg\n0.833333 0.666667 0.369390 Mg\n0.833333 0.666667 0.880610 Mg\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Sb"
],
"chemical_system": "Cs-Mg-Sb",
"density": 2.417312597691012,
"density_atomic": 0.039150187961417074,
"volume": 408.68258450682714,
"volume_molar": 15.382150312879428,
"formula_full": "Cs1 Mg14 Sb1",
"formula_reduced": "CsMg14Sb",
"formula_anonymous": "ABC14",
"energy": -25.22320467,
"energy_per_atom": -1.576450291875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.03120467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.457000Z",
"spacegroup": 187
},
{
"id": "mp-1187815",
"created_at": "2022-09-04T14:43:03.983970Z",
"structure_string": "Yb2 Zn6\n1.0\n3.108561 -5.384185 0.000000\n3.108561 5.384185 0.000000\n0.000000 0.000000 4.647222\nYb Zn\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.150361 0.300722 0.250000 Zn\n0.699278 0.849639 0.250000 Zn\n0.150361 0.849639 0.250000 Zn\n0.849639 0.699278 0.750000 Zn\n0.300722 0.150361 0.750000 Zn\n0.849639 0.150361 0.750000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 7.883458909769751,
"density_atomic": 0.05142652795588669,
"volume": 155.56173667532724,
"volume_molar": 11.710183439110939,
"formula_full": "Yb2 Zn6",
"formula_reduced": "YbZn3",
"formula_anonymous": "AB3",
"energy": -12.61399073,
"energy_per_atom": -1.57674884125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.61399073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.88e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.301000Z",
"spacegroup": 194
},
{
"id": "mp-1198904",
"created_at": "2022-09-04T14:46:22.453805Z",
"structure_string": "Ca8 Mg26 Zn58\n1.0\n15.009779 0.000000 0.000000\n-7.504890 12.998850 0.000000\n0.000000 0.000000 8.542531\nCa Mg Zn\n8 26 58\ndirect\n0.456587 0.543413 0.250000 Ca\n0.456587 0.913175 0.250000 Ca\n0.086825 0.543413 0.250000 Ca\n0.543413 0.456587 0.750000 Ca\n0.543413 0.086825 0.750000 Ca\n0.913175 0.456587 0.750000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.120451 0.879549 0.933339 Mg\n0.120451 0.240901 0.933339 Mg\n0.759099 0.879549 0.933339 Mg\n0.879549 0.120451 0.066661 Mg\n0.879549 0.759099 0.066661 Mg\n0.240901 0.120451 0.066661 Mg\n0.879549 0.120451 0.433339 Mg\n0.879549 0.759099 0.433339 Mg\n0.240901 0.120451 0.433339 Mg\n0.120451 0.879549 0.566661 Mg\n0.120451 0.240901 0.566661 Mg\n0.759099 0.879549 0.566661 Mg\n0.231193 0.768807 0.452450 Mg\n0.231193 0.462385 0.452450 Mg\n0.537615 0.768807 0.452450 Mg\n0.768807 0.231193 0.547550 Mg\n0.768807 0.537615 0.547550 Mg\n0.462385 0.231193 0.547550 Mg\n0.768807 0.231193 0.952450 Mg\n0.768807 0.537615 0.952450 Mg\n0.462385 0.231193 0.952450 Mg\n0.231193 0.768807 0.047550 Mg\n0.231193 0.462385 0.047550 Mg\n0.537615 0.768807 0.047550 Mg\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.567745 0.432255 0.407805 Zn\n0.567745 0.135491 0.407805 Zn\n0.864509 0.432255 0.407805 Zn\n0.432255 0.567745 0.592195 Zn\n0.432255 0.864509 0.592195 Zn\n0.135491 0.567745 0.592195 Zn\n0.432255 0.567745 0.907805 Zn\n0.432255 0.864509 0.907805 Zn\n0.135491 0.567745 0.907805 Zn\n0.567745 0.432255 0.092195 Zn\n0.567745 0.135491 0.092195 Zn\n0.864509 0.432255 0.092195 Zn\n0.065851 0.756726 0.250000 Zn\n0.243274 0.309124 0.250000 Zn\n0.690876 0.934149 0.250000 Zn\n0.243274 0.934149 0.250000 Zn\n0.690876 0.756726 0.250000 Zn\n0.065851 0.309124 0.250000 Zn\n0.934149 0.243274 0.750000 Zn\n0.756726 0.690876 0.750000 Zn\n0.309124 0.065851 0.750000 Zn\n0.756726 0.065851 0.750000 Zn\n0.309124 0.243274 0.750000 Zn\n0.934149 0.690876 0.750000 Zn\n0.409285 0.290242 0.250000 Zn\n0.709758 0.119043 0.250000 Zn\n0.880957 0.590715 0.250000 Zn\n0.709758 0.590715 0.250000 Zn\n0.880957 0.290242 0.250000 Zn\n0.409285 0.119043 0.250000 Zn\n0.590715 0.709758 0.750000 Zn\n0.290242 0.880957 0.750000 Zn\n0.119043 0.409285 0.750000 Zn\n0.290242 0.409285 0.750000 Zn\n0.119043 0.709758 0.750000 Zn\n0.590715 0.880957 0.750000 Zn\n0.364277 0.364277 0.500000 Zn\n0.635723 0.000000 0.500000 Zn\n0.000000 0.635723 0.500000 Zn\n0.635723 0.635723 0.500000 Zn\n0.000000 0.364277 0.500000 Zn\n0.364277 0.000000 0.500000 Zn\n0.635723 0.635723 0.000000 Zn\n0.364277 0.000000 0.000000 Zn\n0.000000 0.364277 0.000000 Zn\n0.364277 0.364277 0.000000 Zn\n0.000000 0.635723 0.000000 Zn\n0.635723 0.000000 0.000000 Zn\n0.333333 0.666667 0.402432 Zn\n0.666667 0.333333 0.597568 Zn\n0.666667 0.333333 0.902432 Zn\n0.333333 0.666667 0.097568 Zn\n0.069310 0.930690 0.250000 Zn\n0.069310 0.138620 0.250000 Zn\n0.861380 0.930690 0.250000 Zn\n0.930690 0.069310 0.750000 Zn\n0.930690 0.861380 0.750000 Zn\n0.138620 0.069310 0.750000 Zn\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Zn"
],
"chemical_system": "Ca-Mg-Zn",
"density": 4.728640451255326,
"density_atomic": 0.055197833707673026,
"volume": 1666.7320766106645,
"volume_molar": 10.91010345060492,
"formula_full": "Ca8 Mg26 Zn58",
"formula_reduced": "Ca4Mg13Zn29",
"formula_anonymous": "A4B13C29",
"energy": -145.11675287,
"energy_per_atom": -1.5773560094565218,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.11675287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1591976,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.470000Z",
"spacegroup": 194
},
{
"id": "mp-1093815",
"created_at": "2022-09-04T14:39:06.474916Z",
"structure_string": "Li2 Sc1 In1\n1.0\n-5.830803 6.195357 7.909795\n5.830803 -6.195357 7.909795\n5.830803 6.195357 -7.909795\nLi Sc In\n2 1 1\ndirect\n0.000000 0.254295 0.254295 Li\n0.000000 0.745705 0.745705 Li\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"In"
],
"chemical_system": "In-Li-Sc",
"density": 0.25230086860452267,
"density_atomic": 0.00349977453144646,
"volume": 1142.9307699850015,
"volume_molar": 172.07224939462154,
"formula_full": "Li2 Sc1 In1",
"formula_reduced": "Li2ScIn",
"formula_anonymous": "ABC2",
"energy": -6.30957886,
"energy_per_atom": -1.577394715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.30957886,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000114,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.920000Z",
"spacegroup": 71
},
{
"id": "mp-1026608",
"created_at": "2022-09-04T14:40:31.652524Z",
"structure_string": "Rb1 Mg14 Bi1\n1.0\n6.569803 0.000000 0.000000\n-3.284901 5.689615 -0.000000\n0.000000 0.000000 10.916809\nRb Mg Bi\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Rb\n0.171338 0.835668 0.125000 Mg\n0.163236 0.831618 0.625000 Mg\n0.664332 0.328662 0.125000 Mg\n0.668382 0.336764 0.625000 Mg\n0.664332 0.835668 0.125000 Mg\n0.668382 0.831618 0.625000 Mg\n0.339034 0.160966 0.381746 Mg\n0.339034 0.160966 0.868254 Mg\n0.339034 0.678070 0.381746 Mg\n0.339034 0.678070 0.868254 Mg\n0.821930 0.160966 0.381746 Mg\n0.821930 0.160966 0.868254 Mg\n0.833333 0.666667 0.370618 Mg\n0.833333 0.666667 0.879382 Mg\n0.166667 0.333333 0.625000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg-Rb",
"density": 2.582849553086023,
"density_atomic": 0.039209295907285724,
"volume": 408.066496216448,
"volume_molar": 15.358961747846609,
"formula_full": "Rb1 Mg14 Bi1",
"formula_reduced": "RbMg14Bi",
"formula_anonymous": "ABC14",
"energy": -25.24455894,
"energy_per_atom": -1.57778493375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.24455894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.332000Z",
"spacegroup": 187
},
{
"id": "mp-939375",
"created_at": "2022-09-04T14:40:55.196119Z",
"structure_string": "Li2 Cu2 P2 O8 F2\n1.0\n5.252087 0.000000 0.000000\n-0.728298 5.176462 0.000000\n-1.807729 -2.634386 6.533298\nLi Cu P O F\n2 2 2 8 2\ndirect\n0.921592 0.182866 0.193322 Li\n0.078408 0.817134 0.806678 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.452289 0.598906 0.758676 P\n0.547711 0.401094 0.241324 P\n0.705288 0.661682 0.083166 O\n0.642984 0.985928 0.345570 O\n0.357016 0.014072 0.654430 O\n0.645818 0.395633 0.396072 O\n0.294712 0.338318 0.916834 O\n0.354182 0.604367 0.603928 O\n0.237617 0.526472 0.129618 O\n0.762383 0.473528 0.870382 O\n0.111414 0.815613 0.250872 F\n0.888586 0.184387 0.749128 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"Cu",
"P",
"O",
"F"
],
"chemical_system": "Cu-F-Li-O-P",
"density": 3.448865609201706,
"density_atomic": 0.0900787960608271,
"volume": 177.62226738905073,
"volume_molar": 6.685414352045133,
"formula_full": "Li2 Cu2 P2 O8 F2",
"formula_reduced": "LiCuPO4F",
"formula_anonymous": "ABCDE4",
"energy": -25.24687886,
"energy_per_atom": -1.57792992875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.82687886,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0291107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.224000Z",
"spacegroup": 2
},
{
"id": "mp-1094264",
"created_at": "2022-09-04T14:43:36.638728Z",
"structure_string": "Sr4 Mg2\n1.0\n3.438111 -5.954984 0.000000\n3.438111 5.954984 0.000000\n0.000000 0.000000 6.291383\nSr Mg\n4 2\ndirect\n0.645414 0.000000 0.500000 Sr\n0.354586 0.354586 0.500000 Sr\n0.000000 0.645414 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5724286054969845,
"density_atomic": 0.023290276122238423,
"volume": 257.61824241624066,
"volume_molar": 25.85688863624006,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -9.4718648,
"energy_per_atom": -1.5786441333333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.4718648,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015923,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.679000Z",
"spacegroup": 189
},
{
"id": "mp-1026841",
"created_at": "2022-09-04T14:40:37.960928Z",
"structure_string": "Na1 Li1 Mg14\n1.0\n6.452530 0.024385 0.000000\n-3.205146 5.551476 0.000000\n0.000000 0.000000 10.348100\nNa Li Mg\n1 1 14\ndirect\n0.166148 0.833073 0.125000 Na\n0.166024 0.333012 0.125000 Li\n0.167317 0.333658 0.625000 Mg\n0.167056 0.833527 0.625000 Mg\n0.667567 0.333925 0.125000 Mg\n0.665961 0.333132 0.625000 Mg\n0.667567 0.833641 0.125000 Mg\n0.665961 0.832828 0.625000 Mg\n0.334275 0.169965 0.378850 Mg\n0.334275 0.169965 0.871150 Mg\n0.334275 0.664310 0.378850 Mg\n0.334275 0.664310 0.871150 Mg\n0.834217 0.167109 0.373403 Mg\n0.834217 0.167109 0.876597 Mg\n0.830432 0.665217 0.378886 Mg\n0.830432 0.665217 0.871114 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Li",
"Mg"
],
"chemical_system": "Li-Mg-Na",
"density": 1.654781852848368,
"density_atomic": 0.04306994506908999,
"volume": 371.4887486931745,
"volume_molar": 13.98223459616602,
"formula_full": "Na1 Li1 Mg14",
"formula_reduced": "NaLiMg14",
"formula_anonymous": "ABC14",
"energy": -25.27632627,
"energy_per_atom": -1.579770391875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.27632627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032385,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.119000Z",
"spacegroup": 38
},
{
"id": "mp-1021300",
"created_at": "2022-09-04T14:42:03.672513Z",
"structure_string": "K2 Mg12 Ga2\n1.0\n5.127349 0.000000 0.000000\n0.000000 6.837244 0.000000\n0.000000 0.000000 11.732675\nK Mg Ga\n2 12 2\ndirect\n0.000000 0.500000 0.670624 K\n0.000000 0.000000 0.170624 K\n0.000000 0.261137 0.917809 Mg\n0.000000 0.738863 0.917809 Mg\n0.000000 0.500000 0.163718 Mg\n0.500000 0.273291 0.072852 Mg\n0.500000 0.726709 0.072852 Mg\n0.500000 0.500000 0.333218 Mg\n0.000000 0.761137 0.417809 Mg\n0.000000 0.238863 0.417809 Mg\n0.000000 0.000000 0.663718 Mg\n0.500000 0.773291 0.572852 Mg\n0.500000 0.226709 0.572852 Mg\n0.500000 0.000000 0.833218 Mg\n0.500000 0.500000 0.851118 Ga\n0.500000 0.000000 0.351118 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"Ga"
],
"chemical_system": "Ga-K-Mg",
"density": 2.0561462023158756,
"density_atomic": 0.038899944693829513,
"volume": 411.3116387679079,
"volume_molar": 15.48110365554134,
"formula_full": "K2 Mg12 Ga2",
"formula_reduced": "KMg6Ga",
"formula_anonymous": "ABC6",
"energy": -25.28763333,
"energy_per_atom": -1.580477083125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.28763333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031478,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.633000Z",
"spacegroup": 38
},
{
"id": "mp-1026618",
"created_at": "2022-09-04T14:39:18.877775Z",
"structure_string": "Cs1 Mg14 Bi1\n1.0\n6.681993 -0.057008 0.000000\n-3.390367 5.872288 0.000000\n0.000000 0.000000 10.669152\nCs Mg Bi\n1 14 1\ndirect\n0.172400 0.336199 0.125000 Cs\n0.166222 0.333111 0.625000 Mg\n0.159765 0.829882 0.625000 Mg\n0.665734 0.325201 0.125000 Mg\n0.671888 0.340741 0.625000 Mg\n0.665734 0.840532 0.125000 Mg\n0.671888 0.831146 0.625000 Mg\n0.338044 0.159205 0.394702 Mg\n0.338044 0.159205 0.855298 Mg\n0.338044 0.678840 0.394702 Mg\n0.338044 0.678840 0.855298 Mg\n0.817521 0.158761 0.393318 Mg\n0.817521 0.158761 0.856682 Mg\n0.826194 0.663098 0.370686 Mg\n0.826194 0.663098 0.879314 Mg\n0.186760 0.843379 0.125000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Bi"
],
"chemical_system": "Bi-Cs-Mg",
"density": 2.719154828662468,
"density_atomic": 0.03840795756333632,
"volume": 416.58033946781296,
"volume_molar": 15.679409013273457,
"formula_full": "Cs1 Mg14 Bi1",
"formula_reduced": "CsMg14Bi",
"formula_anonymous": "ABC14",
"energy": -25.29539627,
"energy_per_atom": -1.580962266875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.29539627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.060000Z",
"spacegroup": 38
},
{
"id": "mp-1028214",
"created_at": "2022-09-04T14:48:16.129627Z",
"structure_string": "Sr1 Ca1 Mg14\n1.0\n6.667800 -0.011450 0.000000\n-3.343815 5.791658 0.000000\n0.000000 0.000000 10.662681\nSr Ca Mg\n1 1 14\ndirect\n0.169536 0.834768 0.125000 Sr\n0.174100 0.337050 0.125000 Ca\n0.165062 0.332531 0.625000 Mg\n0.166096 0.833048 0.625000 Mg\n0.662799 0.333004 0.125000 Mg\n0.668041 0.333112 0.625000 Mg\n0.662799 0.829795 0.125000 Mg\n0.668041 0.834928 0.625000 Mg\n0.340804 0.173220 0.389295 Mg\n0.340804 0.173220 0.860705 Mg\n0.340804 0.667585 0.389295 Mg\n0.340804 0.667585 0.860705 Mg\n0.827221 0.163611 0.377807 Mg\n0.827221 0.163611 0.872193 Mg\n0.822932 0.661466 0.382603 Mg\n0.822932 0.661466 0.867397 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Sr",
"density": 1.8890530342964054,
"density_atomic": 0.03889545705542059,
"volume": 411.3590946418816,
"volume_molar": 15.48288981774733,
"formula_full": "Sr1 Ca1 Mg14",
"formula_reduced": "SrCaMg14",
"formula_anonymous": "ABC14",
"energy": -25.3046971,
"energy_per_atom": -1.58154356875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.3046971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.79e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.055000Z",
"spacegroup": 38
},
{
"id": "mp-13427",
"created_at": "2022-09-04T14:45:13.188288Z",
"structure_string": "Sr6 Hg4\n1.0\n9.072015 0.000000 0.000000\n0.000000 9.072015 0.000000\n0.000000 0.000000 4.558525\nSr Hg\n6 4\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.345692 0.845692 0.500000 Sr\n0.845692 0.654308 0.500000 Sr\n0.654308 0.154308 0.500000 Sr\n0.154308 0.345692 0.500000 Sr\n0.142765 0.642765 0.000000 Hg\n0.642765 0.857235 0.000000 Hg\n0.357235 0.142765 0.000000 Hg\n0.857235 0.357235 0.000000 Hg\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 5.878160957259461,
"density_atomic": 0.02665435267964731,
"volume": 375.1732454427897,
"volume_molar": 22.59346093442508,
"formula_full": "Sr6 Hg4",
"formula_reduced": "Sr3Hg2",
"formula_anonymous": "A2B3",
"energy": -15.817106380000002,
"energy_per_atom": -1.5817106380000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.817106380000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001434,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.815000Z",
"spacegroup": 127
}
]
}