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=-chemical_system&page=1762",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=1760",
"results": [
{
"id": "mp-1232119",
"created_at": "2022-09-04T14:42:42.143090Z",
"structure_string": "Mg2 Sc4 S8\n1.0\n-3.988144 3.988144 4.079893\n3.988144 -3.988144 4.079893\n3.988144 3.988144 -4.079893\nMg Sc S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.875000 0.756883 0.381883 Sc\n0.506883 0.125000 0.881883 Sc\n0.375000 0.493117 0.618117 Sc\n0.243117 0.625000 0.118117 Sc\n0.521942 0.383244 0.257668 S\n0.735726 0.478058 0.861302 S\n0.125576 0.264274 0.742332 S\n0.616756 0.874424 0.138698 S\n0.228058 0.985726 0.361302 S\n0.014274 0.375576 0.242332 S\n0.624424 0.866756 0.638698 S\n0.133244 0.771942 0.757668 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"S"
],
"chemical_system": "Mg-S-Sc",
"density": 3.102407926799173,
"density_atomic": 0.05393586013649957,
"volume": 259.56756719127384,
"volume_molar": 11.16537447397578,
"formula_full": "Mg2 Sc4 S8",
"formula_reduced": "Mg(ScS2)2",
"formula_anonymous": "AB2C4",
"energy": -88.37865502,
"energy_per_atom": -6.312761072857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.35465502,
"band_gap": 1.8148,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.498000Z",
"spacegroup": 122
},
{
"id": "mp-1232130",
"created_at": "2022-09-04T14:41:30.061165Z",
"structure_string": "Mg4 Sc8 S16\n1.0\n3.638731 0.000000 0.000000\n0.000000 12.105436 0.000000\n0.000000 0.000000 12.580350\nMg Sc S\n4 8 16\ndirect\n0.750000 0.125064 0.425107 Mg\n0.250000 0.874936 0.574893 Mg\n0.250000 0.374936 0.925107 Mg\n0.750000 0.625064 0.074893 Mg\n0.250000 0.109565 0.079496 Sc\n0.750000 0.890435 0.920504 Sc\n0.750000 0.390435 0.579496 Sc\n0.250000 0.609565 0.420504 Sc\n0.250000 0.146559 0.702170 Sc\n0.750000 0.853441 0.297830 Sc\n0.750000 0.353441 0.202170 Sc\n0.250000 0.646559 0.797830 Sc\n0.750000 0.025370 0.613934 S\n0.250000 0.974630 0.386066 S\n0.250000 0.474630 0.113934 S\n0.750000 0.525370 0.886066 S\n0.250000 0.032838 0.881068 S\n0.750000 0.967162 0.118932 S\n0.750000 0.467162 0.381068 S\n0.250000 0.532838 0.618932 S\n0.250000 0.216924 0.259020 S\n0.750000 0.783076 0.740980 S\n0.750000 0.283076 0.759020 S\n0.250000 0.716924 0.240980 S\n0.750000 0.248692 0.021806 S\n0.250000 0.751308 0.978194 S\n0.250000 0.251308 0.521806 S\n0.750000 0.748692 0.478194 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"S"
],
"chemical_system": "Mg-S-Sc",
"density": 2.9064055431143734,
"density_atomic": 0.05052832721295176,
"volume": 554.1446064896218,
"volume_molar": 11.918345791697542,
"formula_full": "Mg4 Sc8 S16",
"formula_reduced": "Mg(ScS2)2",
"formula_anonymous": "AB2C4",
"energy": -179.1200215,
"energy_per_atom": -6.397143625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.0720215,
"band_gap": 1.5846,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0036943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.793000Z",
"spacegroup": 62
},
{
"id": "mp-1232123",
"created_at": "2022-09-04T14:41:49.623976Z",
"structure_string": "Mg8 Sc16 S32\n1.0\n12.112124 0.000000 0.000000\n0.000000 7.204106 0.000000\n0.000000 0.000000 12.402025\nMg Sc S\n8 16 32\ndirect\n0.108795 0.379168 0.687148 Mg\n0.891205 0.620832 0.187148 Mg\n0.391205 0.379168 0.187148 Mg\n0.608795 0.620832 0.687148 Mg\n0.125518 0.877841 0.323270 Mg\n0.874482 0.122159 0.823270 Mg\n0.374482 0.877841 0.823270 Mg\n0.625518 0.122159 0.323270 Mg\n0.108070 0.880794 0.687137 Sc\n0.891930 0.119206 0.187137 Sc\n0.391929 0.880794 0.187137 Sc\n0.608070 0.119206 0.687137 Sc\n0.128425 0.379980 0.326615 Sc\n0.871575 0.620020 0.826615 Sc\n0.371575 0.379980 0.826615 Sc\n0.628425 0.620020 0.326615 Sc\n0.132887 0.628484 0.988669 Sc\n0.867113 0.371516 0.488669 Sc\n0.367113 0.628484 0.488669 Sc\n0.632887 0.371516 0.988669 Sc\n0.132019 0.129062 0.990092 Sc\n0.867981 0.870938 0.490092 Sc\n0.367981 0.129062 0.490092 Sc\n0.632019 0.870938 0.990092 Sc\n0.016446 0.871783 0.875341 S\n0.983554 0.128217 0.375341 S\n0.483554 0.871783 0.375341 S\n0.516446 0.128217 0.875341 S\n0.037993 0.369917 0.132482 S\n0.962007 0.630083 0.632482 S\n0.462007 0.369917 0.632482 S\n0.537993 0.630083 0.132482 S\n0.018007 0.378820 0.873811 S\n0.981993 0.621180 0.373811 S\n0.481993 0.378820 0.373811 S\n0.518007 0.621180 0.873811 S\n0.037103 0.876879 0.132385 S\n0.962897 0.123121 0.632385 S\n0.462897 0.876879 0.632385 S\n0.537103 0.123121 0.132385 S\n0.216403 0.879706 0.510397 S\n0.783597 0.120294 0.010397 S\n0.283596 0.879706 0.010397 S\n0.716403 0.120294 0.510397 S\n0.216883 0.378815 0.512523 S\n0.783117 0.621185 0.012523 S\n0.283117 0.378815 0.012523 S\n0.716883 0.621185 0.512523 S\n0.230164 0.128424 0.779337 S\n0.769836 0.871576 0.279337 S\n0.269836 0.128424 0.279337 S\n0.730164 0.871576 0.779337 S\n0.231784 0.630137 0.777796 S\n0.768216 0.369863 0.277796 S\n0.268216 0.630137 0.277796 S\n0.731784 0.369863 0.777796 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"S"
],
"chemical_system": "Mg-S-Sc",
"density": 2.976571466344676,
"density_atomic": 0.05174817305882107,
"volume": 1082.1638077221774,
"volume_molar": 11.637397813358083,
"formula_full": "Mg8 Sc16 S32",
"formula_reduced": "Mg(ScS2)2",
"formula_anonymous": "AB2C4",
"energy": -358.72219592,
"energy_per_atom": -6.405753498571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -342.62619592,
"band_gap": 1.3602999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0080041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.140000Z",
"spacegroup": 29
},
{
"id": "mp-1232120",
"created_at": "2022-09-04T14:47:10.827952Z",
"structure_string": "Mg4 Sc8 S16\n1.0\n6.869334 0.000000 0.000000\n-0.007269 7.942835 0.000000\n-1.149738 -1.982789 12.467034\nMg Sc S\n4 8 16\ndirect\n0.867493 0.800654 0.700870 Mg\n0.132507 0.199346 0.299130 Mg\n0.750691 0.624900 0.998429 Mg\n0.249309 0.375100 0.001571 Mg\n0.862492 0.299142 0.698577 Sc\n0.137508 0.700858 0.301423 Sc\n0.758686 0.123664 0.000372 Sc\n0.241314 0.876336 0.999628 Sc\n0.632249 0.446438 0.300250 Sc\n0.367751 0.553562 0.699750 Sc\n0.631448 0.953803 0.302224 Sc\n0.368552 0.046197 0.697776 Sc\n0.896693 0.345608 0.892374 S\n0.103307 0.654392 0.107626 S\n0.899653 0.851408 0.895766 S\n0.100347 0.148592 0.104234 S\n0.812248 0.217899 0.371950 S\n0.187752 0.782101 0.628050 S\n0.811353 0.717660 0.370445 S\n0.188647 0.282340 0.629555 S\n0.688467 0.031143 0.628265 S\n0.311533 0.968857 0.371735 S\n0.688341 0.533334 0.630088 S\n0.311659 0.466666 0.369912 S\n0.597481 0.906266 0.107169 S\n0.402519 0.093734 0.892831 S\n0.604510 0.398916 0.106134 S\n0.395490 0.601084 0.893866 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"S"
],
"chemical_system": "Mg-S-Sc",
"density": 2.3676963567452143,
"density_atomic": 0.04116278147692345,
"volume": 680.2261410759444,
"volume_molar": 14.630062750681983,
"formula_full": "Mg4 Sc8 S16",
"formula_reduced": "Mg(ScS2)2",
"formula_anonymous": "AB2C4",
"energy": -176.35609324,
"energy_per_atom": -6.298431901428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.30809324,
"band_gap": 2.1887000000000008,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.779000Z",
"spacegroup": 2
},
{
"id": "mp-1232149",
"created_at": "2022-09-04T14:42:47.523686Z",
"structure_string": "Mg4 Sc8 S16\n1.0\n7.705402 0.000000 0.000000\n0.000000 7.221567 0.000000\n0.000000 0.000000 10.734632\nMg Sc S\n4 8 16\ndirect\n0.171331 0.250000 0.391343 Mg\n0.828669 0.750000 0.608657 Mg\n0.328669 0.750000 0.891343 Mg\n0.671331 0.250000 0.108657 Mg\n0.030018 0.750000 0.299982 Sc\n0.969982 0.250000 0.700018 Sc\n0.469982 0.250000 0.799982 Sc\n0.530018 0.750000 0.200018 Sc\n0.061938 0.250000 0.007587 Sc\n0.938062 0.750000 0.992413 Sc\n0.438062 0.750000 0.507587 Sc\n0.561938 0.250000 0.492413 Sc\n0.097819 0.516533 0.839463 S\n0.902181 0.483467 0.160537 S\n0.402181 0.483467 0.339463 S\n0.597819 0.516533 0.660537 S\n0.597819 0.983467 0.660537 S\n0.402181 0.016533 0.339463 S\n0.902181 0.016533 0.160537 S\n0.097819 0.983467 0.839463 S\n0.881293 0.250000 0.474054 S\n0.118707 0.750000 0.525946 S\n0.618707 0.750000 0.974054 S\n0.381293 0.250000 0.025946 S\n0.230360 0.750000 0.113176 S\n0.769640 0.250000 0.886824 S\n0.269640 0.250000 0.613176 S\n0.730360 0.750000 0.386824 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"S"
],
"chemical_system": "Mg-S-Sc",
"density": 2.696282648010083,
"density_atomic": 0.04687530693024702,
"volume": 597.3294221127023,
"volume_molar": 12.84714950018625,
"formula_full": "Mg4 Sc8 S16",
"formula_reduced": "Mg(ScS2)2",
"formula_anonymous": "AB2C4",
"energy": -172.89635291,
"energy_per_atom": -6.174869746785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.84835291,
"band_gap": 1.2332999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.53e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.225000Z",
"spacegroup": 62
},
{
"id": "mp-14307",
"created_at": "2022-09-04T14:41:57.152258Z",
"structure_string": "Mg2 Sc4 S8\n1.0\n0.000000 5.350787 5.350787\n5.350787 0.000000 5.350787\n5.350787 5.350787 0.000000\nMg Sc S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.625000 0.625000 0.625000 Sc\n0.625000 0.625000 0.125000 Sc\n0.625000 0.125000 0.625000 Sc\n0.125000 0.625000 0.625000 Sc\n0.851241 0.382920 0.382920 S\n0.867080 0.867080 0.867080 S\n0.398759 0.867080 0.867080 S\n0.382920 0.382920 0.851241 S\n0.382920 0.382920 0.382920 S\n0.867080 0.398759 0.867080 S\n0.867080 0.867080 0.398759 S\n0.382920 0.851241 0.382920 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"S"
],
"chemical_system": "Mg-S-Sc",
"density": 2.628248000141829,
"density_atomic": 0.045692513648886345,
"volume": 306.39592532771985,
"volume_molar": 13.179709932956987,
"formula_full": "Mg2 Sc4 S8",
"formula_reduced": "Mg(ScS2)2",
"formula_anonymous": "AB2C4",
"energy": -90.59662275,
"energy_per_atom": -6.471187339285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.57262275,
"band_gap": 1.6732000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.438000Z",
"spacegroup": 227
},
{
"id": "mp-1022494",
"created_at": "2022-09-04T14:41:18.252086Z",
"structure_string": "Sr1 Mg6 Zr1\n1.0\n4.612566 -4.700699 0.000000\n4.612566 4.700699 0.000000\n0.000000 0.000000 4.755939\nSr Mg Zr\n1 6 1\ndirect\n0.371473 0.628527 0.500000 Sr\n0.379682 0.128550 0.500000 Mg\n0.871450 0.620318 0.500000 Mg\n0.104185 0.353188 0.000000 Mg\n0.646812 0.895815 0.000000 Mg\n0.643921 0.356079 0.000000 Mg\n0.105427 0.894573 0.000000 Mg\n0.877050 0.122950 0.500000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Zr"
],
"chemical_system": "Mg-Sr-Zr",
"density": 2.614118685306707,
"density_atomic": 0.03878990172715631,
"volume": 206.23924381843182,
"volume_molar": 15.525021956381954,
"formula_full": "Sr1 Mg6 Zr1",
"formula_reduced": "SrMg6Zr",
"formula_anonymous": "ABC6",
"energy": -19.35069563,
"energy_per_atom": -2.41883695375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.35069563,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.747122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.052000Z",
"spacegroup": 38
},
{
"id": "mp-1022492",
"created_at": "2022-09-04T14:41:48.679804Z",
"structure_string": "Sr2 Mg12 Zr2\n1.0\n5.275481 0.000000 0.000000\n0.000000 6.952156 0.000000\n0.000000 0.000000 11.214169\nSr Mg Zr\n2 12 2\ndirect\n0.500000 0.500000 0.143991 Sr\n0.500000 0.000000 0.643991 Sr\n0.000000 0.229982 0.091893 Mg\n0.000000 0.770018 0.091893 Mg\n0.000000 0.500000 0.851572 Mg\n0.500000 0.229316 0.903314 Mg\n0.500000 0.770684 0.903314 Mg\n0.500000 0.500000 0.659958 Mg\n0.000000 0.729982 0.591893 Mg\n0.000000 0.270018 0.591893 Mg\n0.000000 0.000000 0.351572 Mg\n0.500000 0.729316 0.403314 Mg\n0.500000 0.270684 0.403314 Mg\n0.500000 0.000000 0.159958 Mg\n0.000000 0.500000 0.354064 Zr\n0.000000 0.000000 0.854064 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Zr"
],
"chemical_system": "Mg-Sr-Zr",
"density": 2.621669466351724,
"density_atomic": 0.03890194486289677,
"volume": 411.2904909096256,
"volume_molar": 15.480307684420412,
"formula_full": "Sr2 Mg12 Zr2",
"formula_reduced": "SrMg6Zr",
"formula_anonymous": "ABC6",
"energy": -37.40368372,
"energy_per_atom": -2.3377302325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.40368372,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.231000Z",
"spacegroup": 38
},
{
"id": "mp-1027848",
"created_at": "2022-09-04T14:41:16.974321Z",
"structure_string": "Sr1 Mg14 Zr1\n1.0\n6.618354 -0.000000 0.000000\n-3.309177 5.731662 -0.000000\n-0.000000 -0.000000 10.299883\nSr Mg Zr\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.168309 0.834154 0.125000 Mg\n0.176426 0.838212 0.625000 Mg\n0.665846 0.331691 0.125000 Mg\n0.661788 0.323574 0.625000 Mg\n0.665846 0.834154 0.125000 Mg\n0.661788 0.838212 0.625000 Mg\n0.336447 0.163553 0.363924 Mg\n0.336447 0.163553 0.886076 Mg\n0.336447 0.672894 0.363924 Mg\n0.336447 0.672894 0.886076 Mg\n0.827106 0.163553 0.363924 Mg\n0.827106 0.163553 0.886076 Mg\n0.833333 0.666667 0.376938 Mg\n0.833333 0.666667 0.873062 Mg\n0.166667 0.333333 0.125000 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Zr"
],
"chemical_system": "Mg-Sr-Zr",
"density": 2.2062208414450453,
"density_atomic": 0.04095030366175945,
"volume": 390.71749338311383,
"volume_molar": 14.705973390921752,
"formula_full": "Sr1 Mg14 Zr1",
"formula_reduced": "SrMg14Zr",
"formula_anonymous": "ABC14",
"energy": -31.52668313,
"energy_per_atom": -1.970417695625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.52668313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012546,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.118000Z",
"spacegroup": 187
},
{
"id": "mp-1027923",
"created_at": "2022-09-04T14:45:20.063027Z",
"structure_string": "Sr1 Mg14 Zr1\n1.0\n6.576047 -0.021895 0.000000\n-3.306985 5.727866 0.000000\n0.000000 0.000000 10.423592\nSr Mg Zr\n1 14 1\ndirect\n0.162645 0.831322 0.125000 Sr\n0.163980 0.331990 0.625000 Mg\n0.167084 0.833542 0.625000 Mg\n0.664355 0.331789 0.125000 Mg\n0.667622 0.329754 0.625000 Mg\n0.664355 0.832564 0.125000 Mg\n0.667622 0.837867 0.625000 Mg\n0.334037 0.176859 0.384081 Mg\n0.334037 0.176859 0.865919 Mg\n0.334037 0.657179 0.384081 Mg\n0.334037 0.657179 0.865919 Mg\n0.838143 0.169072 0.369242 Mg\n0.838143 0.169072 0.880758 Mg\n0.818754 0.659378 0.387077 Mg\n0.818754 0.659378 0.862923 Mg\n0.192397 0.346198 0.125000 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Zr"
],
"chemical_system": "Mg-Sr-Zr",
"density": 2.199744910685788,
"density_atomic": 0.04083010203638163,
"volume": 391.8677446787474,
"volume_molar": 14.749266985994735,
"formula_full": "Sr1 Mg14 Zr1",
"formula_reduced": "SrMg14Zr",
"formula_anonymous": "ABC14",
"energy": -31.42353178,
"energy_per_atom": -1.96397073625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.42353178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0289306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.377000Z",
"spacegroup": 38
},
{
"id": "mp-1022658",
"created_at": "2022-09-04T14:43:06.726419Z",
"structure_string": "Sr2 Mg12 Zn2\n1.0\n5.123369 0.000000 0.000000\n0.000000 6.760170 0.000000\n0.000000 0.000000 11.684003\nSr Mg Zn\n2 12 2\ndirect\n0.500000 0.500000 0.174424 Sr\n0.500000 0.000000 0.674424 Sr\n0.000000 0.230314 0.072073 Mg\n0.000000 0.769686 0.072073 Mg\n0.000000 0.500000 0.830781 Mg\n0.500000 0.239894 0.920848 Mg\n0.500000 0.760106 0.920848 Mg\n0.500000 0.500000 0.662490 Mg\n0.000000 0.730314 0.572073 Mg\n0.000000 0.269686 0.572073 Mg\n0.000000 0.000000 0.330781 Mg\n0.500000 0.739894 0.420848 Mg\n0.500000 0.260106 0.420848 Mg\n0.500000 0.000000 0.162490 Mg\n0.000000 0.500000 0.346464 Zn\n0.000000 0.000000 0.846464 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Zn"
],
"chemical_system": "Mg-Sr-Zn",
"density": 2.4526779046797293,
"density_atomic": 0.03953803388494914,
"volume": 404.6736377068736,
"volume_molar": 15.231260050825227,
"formula_full": "Sr2 Mg12 Zn2",
"formula_reduced": "SrMg6Zn",
"formula_anonymous": "ABC6",
"energy": -24.40620193,
"energy_per_atom": -1.525387620625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.40620193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.104000Z",
"spacegroup": 38
},
{
"id": "mp-1027997",
"created_at": "2022-09-04T14:41:15.064613Z",
"structure_string": "Sr1 Mg14 Zn1\n1.0\n6.497977 -0.000000 -0.000000\n-3.248989 5.627413 -0.000000\n-0.000000 0.000000 10.533093\nSr Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.161871 0.830935 0.125000 Mg\n0.179910 0.839955 0.625000 Mg\n0.669065 0.338129 0.125000 Mg\n0.660045 0.320090 0.625000 Mg\n0.669065 0.830935 0.125000 Mg\n0.660045 0.839955 0.625000 Mg\n0.333894 0.166106 0.358056 Mg\n0.333894 0.166106 0.891944 Mg\n0.333894 0.667790 0.358056 Mg\n0.333894 0.667790 0.891944 Mg\n0.832210 0.166106 0.358056 Mg\n0.832210 0.166106 0.891944 Mg\n0.833333 0.666667 0.381378 Mg\n0.833333 0.666667 0.868622 Mg\n0.166667 0.333333 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Zn"
],
"chemical_system": "Mg-Sr-Zn",
"density": 2.1267500637711403,
"density_atomic": 0.041541015083492366,
"volume": 385.16150767721865,
"volume_molar": 14.496855091037697,
"formula_full": "Sr1 Mg14 Zn1",
"formula_reduced": "SrMg14Zn",
"formula_anonymous": "ABC14",
"energy": -24.68729609,
"energy_per_atom": -1.542956005625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.68729609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.289000Z",
"spacegroup": 187
}
]
}