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=-density_atomic&page=10192",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10190",
"results": [
{
"id": "mp-1028051",
"created_at": "2022-09-04T14:39:07.529446Z",
"structure_string": "K1 Y1 Mg14\n1.0\n6.637377 -0.000132 0.000000\n-3.318803 5.748335 0.000000\n0.000000 0.000000 10.595525\nK Y Mg\n1 1 14\ndirect\n0.166143 0.833071 0.125000 K\n0.172309 0.336154 0.125000 Y\n0.165400 0.332699 0.625000 Mg\n0.166585 0.833292 0.625000 Mg\n0.662477 0.328392 0.125000 Mg\n0.667518 0.334028 0.625000 Mg\n0.662477 0.834085 0.125000 Mg\n0.667518 0.833489 0.625000 Mg\n0.339455 0.176173 0.386876 Mg\n0.339455 0.176173 0.863124 Mg\n0.339455 0.663283 0.386876 Mg\n0.339455 0.663283 0.863124 Mg\n0.832555 0.166278 0.376484 Mg\n0.832555 0.166278 0.873516 Mg\n0.823321 0.661661 0.382715 Mg\n0.823321 0.661661 0.867285 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Y",
"Mg"
],
"chemical_system": "K-Mg-Y",
"density": 1.9235046111393883,
"density_atomic": 0.03957891939939375,
"volume": 404.25560482192145,
"volume_molar": 15.215525970353411,
"formula_full": "K1 Y1 Mg14",
"formula_reduced": "KYMg14",
"formula_anonymous": "ABC14",
"energy": -28.29787166,
"energy_per_atom": -1.76861697875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.29787166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.248000Z",
"spacegroup": 38
},
{
"id": "mp-1224842",
"created_at": "2022-09-04T14:39:29.284515Z",
"structure_string": "Ga2 Sn2 Se4\n1.0\n3.913727 0.000000 0.000000\n0.000000 4.571749 0.000000\n0.000000 0.000000 11.296786\nGa Sn Se\n2 2 4\ndirect\n0.000000 0.121723 0.623294 Ga\n0.000000 0.878277 0.123294 Ga\n0.500000 0.341930 0.393346 Sn\n0.500000 0.658070 0.893346 Sn\n0.000000 0.237320 0.843937 Se\n0.000000 0.762680 0.343937 Se\n0.500000 0.243156 0.139423 Se\n0.500000 0.756844 0.639423 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Sn",
"Se"
],
"chemical_system": "Ga-Se-Sn",
"density": 5.690759578827929,
"density_atomic": 0.039578759504740275,
"volume": 202.12861898922966,
"volume_molar": 15.215587439719375,
"formula_full": "Ga2 Sn2 Se4",
"formula_reduced": "GaSnSe2",
"formula_anonymous": "ABC2",
"energy": -32.3514049,
"energy_per_atom": -4.0439256125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.4634049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0179161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.954000Z",
"spacegroup": 26
},
{
"id": "mp-1232097",
"created_at": "2022-09-04T14:47:17.461504Z",
"structure_string": "Tb8 Mg4 S16\n1.0\n13.592834 0.000000 0.000000\n0.000000 7.946712 0.000000\n0.000000 0.000000 6.549446\nTb Mg S\n8 4 16\ndirect\n0.000000 0.000000 0.500000 Tb\n0.500000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.232057 0.750000 0.998926 Tb\n0.767943 0.250000 0.001074 Tb\n0.267943 0.250000 0.498926 Tb\n0.732057 0.750000 0.501074 Tb\n0.093412 0.250000 0.922405 Mg\n0.906588 0.750000 0.077595 Mg\n0.406588 0.750000 0.422405 Mg\n0.593412 0.250000 0.577595 Mg\n0.168655 0.010415 0.742120 S\n0.831345 0.989585 0.257880 S\n0.331345 0.989585 0.242120 S\n0.668655 0.010415 0.757880 S\n0.668655 0.489585 0.757880 S\n0.331345 0.510415 0.242120 S\n0.831345 0.510415 0.257880 S\n0.168655 0.489585 0.742120 S\n0.069968 0.750000 0.246866 S\n0.930032 0.250000 0.753134 S\n0.430032 0.250000 0.746866 S\n0.569968 0.750000 0.253134 S\n0.091616 0.250000 0.289152 S\n0.908384 0.750000 0.710848 S\n0.408384 0.750000 0.789152 S\n0.591616 0.250000 0.210848 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"S"
],
"chemical_system": "Mg-S-Tb",
"density": 4.416607888126632,
"density_atomic": 0.03957819451019915,
"volume": 707.4602655961102,
"volume_molar": 15.21580464830986,
"formula_full": "Tb8 Mg4 S16",
"formula_reduced": "Tb2MgS4",
"formula_anonymous": "AB2C4",
"energy": -169.96064247,
"energy_per_atom": -6.0700229453571435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.91264247,
"band_gap": 2.4932,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0042331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.354000Z",
"spacegroup": 62
},
{
"id": "mp-1216215",
"created_at": "2022-09-04T14:45:39.169277Z",
"structure_string": "Y4 Ni1 Sn8\n1.0\n0.000000 0.000000 4.412015\n4.402942 0.000000 0.000000\n0.000000 16.908729 0.000000\nY Ni Sn\n4 1 8\ndirect\n0.250000 0.000000 0.098409 Y\n0.250000 0.500000 0.603298 Y\n0.750000 0.500000 0.397135 Y\n0.750000 0.000000 0.898981 Y\n0.250000 0.000000 0.310317 Ni\n0.250000 0.000000 0.455869 Sn\n0.250000 0.500000 0.936437 Sn\n0.750000 0.500000 0.057741 Sn\n0.750000 0.000000 0.570884 Sn\n0.250000 0.500000 0.237070 Sn\n0.250000 0.000000 0.746638 Sn\n0.750000 0.000000 0.237943 Sn\n0.750000 0.500000 0.754377 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Y",
"density": 6.895591734762825,
"density_atomic": 0.0395778723850088,
"volume": 328.4663681144241,
"volume_molar": 15.215928490084906,
"formula_full": "Y4 Ni1 Sn8",
"formula_reduced": "Y4NiSn8",
"formula_anonymous": "AB4C8",
"energy": -71.25967093,
"energy_per_atom": -5.481513148461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.25967093,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.492000Z",
"spacegroup": 25
},
{
"id": "mp-1184698",
"created_at": "2022-09-04T14:41:10.513714Z",
"structure_string": "Hf6 Th2\n1.0\n3.326457 -5.761593 0.000000\n3.326457 5.761593 0.000000\n0.000000 0.000000 5.273543\nHf Th\n6 2\ndirect\n0.155283 0.310565 0.250000 Hf\n0.689435 0.844717 0.250000 Hf\n0.155283 0.844717 0.250000 Hf\n0.844717 0.689435 0.750000 Hf\n0.310565 0.155283 0.750000 Hf\n0.844717 0.155283 0.750000 Hf\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Th"
],
"chemical_system": "Hf-Th",
"density": 12.609708893424598,
"density_atomic": 0.03957610135068503,
"volume": 202.14219508667006,
"volume_molar": 15.216609404341343,
"formula_full": "Hf6 Th2",
"formula_reduced": "Hf3Th",
"formula_anonymous": "AB3",
"energy": -73.54966554,
"energy_per_atom": -9.1937081925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.54966554,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001722,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.326000Z",
"spacegroup": 194
},
{
"id": "mp-1187857",
"created_at": "2022-09-04T14:47:08.757460Z",
"structure_string": "Y1 Lu1 Hg2\n1.0\n0.000000 3.697190 3.697190\n3.697190 0.000000 3.697190\n3.697190 3.697190 0.000000\nY Lu Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Lu",
"Hg"
],
"chemical_system": "Hg-Lu-Y",
"density": 10.925968688868126,
"density_atomic": 0.03957443165995291,
"volume": 101.07536184904392,
"volume_molar": 15.21725141057191,
"formula_full": "Y1 Lu1 Hg2",
"formula_reduced": "YLuHg2",
"formula_anonymous": "ABC2",
"energy": -13.54332549,
"energy_per_atom": -3.3858313725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.54332549,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.396000Z",
"spacegroup": 225
},
{
"id": "mp-1009583",
"created_at": "2022-09-04T14:40:41.342295Z",
"structure_string": "Pr1 As1\n1.0\n3.924696 0.000000 0.000000\n0.000000 3.924696 0.000000\n0.000000 0.000000 3.280983\nPr As\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"As"
],
"chemical_system": "As-Pr",
"density": 7.091585992005272,
"density_atomic": 0.039574366375510685,
"volume": 50.53776429475913,
"volume_molar": 15.21727651393708,
"formula_full": "Pr1 As1",
"formula_reduced": "PrAs",
"formula_anonymous": "AB",
"energy": -11.57176612,
"energy_per_atom": -5.78588306,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.57176612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005862,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.619000Z",
"spacegroup": 123
},
{
"id": "mp-1219639",
"created_at": "2022-09-04T14:42:53.383355Z",
"structure_string": "Rb1 Nb4 Ag1 P2 S20\n1.0\n7.407783 0.000000 0.000000\n0.275285 7.532941 0.000000\n3.037866 0.008823 12.679295\nRb Nb Ag P S\n1 4 1 2 20\ndirect\n0.056450 0.501904 0.439315 Rb\n0.499913 0.067593 0.605488 Nb\n0.499363 0.931750 0.396359 Nb\n0.501954 0.067474 0.894712 Nb\n0.498186 0.933490 0.104526 Nb\n0.003265 0.499930 0.998787 Ag\n0.291195 0.382575 0.777118 P\n0.706783 0.618865 0.222003 P\n0.628847 0.865457 0.733770 S\n0.372204 0.135303 0.267306 S\n0.707139 0.169576 0.010510 S\n0.293664 0.830411 0.988710 S\n0.449415 0.409333 0.885629 S\n0.548423 0.590624 0.114481 S\n0.710888 0.166237 0.433297 S\n0.288567 0.831011 0.568403 S\n0.772624 0.917559 0.480484 S\n0.225629 0.079880 0.522123 S\n0.776546 0.921100 0.950721 S\n0.223589 0.078680 0.048887 S\n0.058032 0.537098 0.807354 S\n0.940527 0.463192 0.191032 S\n0.744413 0.109545 0.717047 S\n0.254964 0.892218 0.282539 S\n0.248256 0.108469 0.783025 S\n0.751090 0.891822 0.217463 S\n0.439702 0.411091 0.623383 S\n0.562772 0.587615 0.376929 S\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Rb",
"Nb",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-Nb-P-Rb-S",
"density": 2.9764049577168348,
"density_atomic": 0.03957401437433314,
"volume": 707.5349934213448,
"volume_molar": 15.21741186788933,
"formula_full": "Rb1 Nb4 Ag1 P2 S20",
"formula_reduced": "RbNb4Ag(PS10)2",
"formula_anonymous": "ABC2D4E20",
"energy": -165.68808406,
"energy_per_atom": -5.917431573571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.62808406,
"band_gap": 1.4346,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018055,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.233000Z",
"spacegroup": 1
},
{
"id": "mp-1103188",
"created_at": "2022-09-04T14:43:18.962243Z",
"structure_string": "Zr9 Te3\n1.0\n10.930876 -2.846109 0.000000\n10.930876 2.846109 0.000000\n10.189824 0.000000 4.873588\nZr Te\n9 3\ndirect\n0.414927 0.911768 0.414927 Zr\n0.414927 0.414927 0.911768 Zr\n0.911768 0.414927 0.414927 Zr\n0.585073 0.088232 0.585073 Zr\n0.585073 0.585073 0.088232 Zr\n0.088232 0.585073 0.585073 Zr\n0.667239 0.667239 0.667239 Zr\n0.332761 0.332761 0.332761 Zr\n0.500000 0.500000 0.500000 Zr\n0.873440 0.873440 0.873440 Te\n0.126560 0.126560 0.126560 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 6.592101784796319,
"density_atomic": 0.03957272360494591,
"volume": 303.2391735225474,
"volume_molar": 15.217908224157044,
"formula_full": "Zr9 Te3",
"formula_reduced": "Zr3Te",
"formula_anonymous": "AB3",
"energy": -85.43099269000001,
"energy_per_atom": -7.1192493908333345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.16499269,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0137965,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.618000Z",
"spacegroup": 166
},
{
"id": "mp-3041",
"created_at": "2022-09-04T14:46:27.805181Z",
"structure_string": "Er4 Cd2 S8\n1.0\n0.000000 5.613509 5.613509\n5.613509 0.000000 5.613509\n5.613509 5.613509 0.000000\nEr Cd S\n4 2 8\ndirect\n0.625000 0.125000 0.125000 Er\n0.125000 0.125000 0.125000 Er\n0.125000 0.625000 0.125000 Er\n0.125000 0.125000 0.625000 Er\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.367019 0.367019 0.367019 S\n0.351057 0.882981 0.882981 S\n0.882981 0.882981 0.351057 S\n0.882981 0.351057 0.882981 S\n0.367019 0.367019 0.898943 S\n0.367019 0.898943 0.367019 S\n0.882981 0.882981 0.882981 S\n0.898943 0.367019 0.367019 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Er",
"Cd",
"S"
],
"chemical_system": "Cd-Er-S",
"density": 5.399535484218292,
"density_atomic": 0.03957261685301717,
"volume": 353.7799901381196,
"volume_molar": 15.217949276308344,
"formula_full": "Er4 Cd2 S8",
"formula_reduced": "Er2CdS4",
"formula_anonymous": "AB2C4",
"energy": -80.62693239000001,
"energy_per_atom": -5.759066599285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.60293239,
"band_gap": 1.1479,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004225,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.148000Z",
"spacegroup": 227
},
{
"id": "mp-1245194",
"created_at": "2022-09-04T14:44:21.224689Z",
"structure_string": "Zn50 S50\n1.0\n13.020097 0.521879 0.184124\n0.540779 13.474172 0.827948\n0.194326 0.787727 14.477898\nZn S\n50 50\ndirect\n0.558033 0.950972 0.376042 Zn\n0.147438 0.609715 0.625182 Zn\n0.385402 0.667296 0.470216 Zn\n0.923926 0.321682 0.278158 Zn\n0.355363 0.558668 0.933087 Zn\n0.244490 0.002641 0.687648 Zn\n0.739380 0.095714 0.237642 Zn\n0.653730 0.532521 0.448436 Zn\n0.081655 0.413246 0.802080 Zn\n0.392276 0.225967 0.528452 Zn\n0.027492 0.889591 0.235179 Zn\n0.136491 0.004252 0.276991 Zn\n0.323955 0.841516 0.013258 Zn\n0.865940 -0.000458 0.019101 Zn\n0.032901 0.262407 0.041631 Zn\n0.188971 0.719009 0.010638 Zn\n0.074483 0.158439 0.752696 Zn\n0.621174 0.358498 0.193451 Zn\n0.877804 0.298734 0.805644 Zn\n0.512711 0.002445 0.602055 Zn\n0.642284 0.772113 0.487364 Zn\n0.397187 0.450875 0.345817 Zn\n0.611088 0.606229 0.926252 Zn\n0.373660 0.987275 0.891108 Zn\n0.648195 0.049457 0.775164 Zn\n0.651865 0.301031 0.409986 Zn\n0.788720 0.589266 0.168072 Zn\n0.976033 0.050563 0.871642 Zn\n0.862171 0.627778 0.570817 Zn\n0.887123 0.109313 0.718217 Zn\n0.232187 0.034719 0.438343 Zn\n0.571418 0.758732 0.055652 Zn\n0.999285 0.829230 0.720533 Zn\n0.197692 0.236981 0.285128 Zn\n0.443498 0.741869 0.252852 Zn\n0.209334 0.538343 0.110831 Zn\n0.495708 0.426439 0.083639 Zn\n0.107270 0.794913 0.470353 Zn\n0.837633 0.912220 0.882848 Zn\n0.665706 0.258961 0.623961 Zn\n0.159259 0.401885 0.530606 Zn\n0.194479 0.118218 0.937265 Zn\n0.192127 0.894210 0.900035 Zn\n0.942300 0.592815 0.362668 Zn\n0.175362 0.641538 0.237538 Zn\n0.703749 0.879212 0.197318 Zn\n0.848431 0.418909 0.952037 Zn\n0.338211 0.253003 0.921130 Zn\n0.913672 0.358378 0.521444 Zn\n0.810889 0.696669 0.922721 Zn\n0.184723 0.569551 0.943182 S\n0.568987 0.188867 0.522021 S\n0.241901 0.139282 0.769844 S\n-0.002150 0.720074 0.606318 S\n0.728526 0.604718 0.682559 S\n0.286531 0.078404 0.289295 S\n0.483304 0.031338 0.757069 S\n0.644320 0.939720 0.512126 S\n0.955735 0.772610 0.881333 S\n0.727793 0.195637 0.764741 S\n0.316076 0.389265 0.111952 S\n0.973075 0.240077 0.426130 S\n0.171161 0.864197 0.750254 S\n0.593449 0.669090 0.625074 S\n0.579319 0.451278 0.331274 S\n0.084413 -0.000079 0.994049 S\n0.919666 0.498913 0.241565 S\n0.602640 0.492930 0.821680 S\n0.151633 0.301454 0.927100 S\n0.738178 0.378783 0.524695 S\n0.129576 0.259491 0.441299 S\n0.770639 0.550131 0.016593 S\n0.519092 0.562348 0.557036 S\n0.963338 0.261616 0.665726 S\n0.192181 0.450154 0.682963 S\n0.909937 0.467190 0.805996 S\n0.357473 0.104183 0.004293 S\n0.592762 0.015124 0.229476 S\n0.049389 0.725852 0.326884 S\n0.852451 0.967197 0.177857 S\n0.769752 0.658880 0.429408 S\n0.670164 0.718620 0.191064 S\n0.339744 0.058970 0.555744 S\n0.477975 0.429739 0.895529 S\n0.339056 0.620823 0.320698 S\n0.079117 0.966916 0.450346 S\n0.472623 0.604597 0.033748 S\n0.251273 0.725555 0.554675 S\n-0.003276 0.502856 0.503263 S\n0.337264 0.386738 0.493576 S\n0.646433 0.777696 0.909229 S\n0.753321 0.911568 0.741086 S\n0.753121 0.251825 0.275905 S\n0.439779 0.853508 0.122257 S\n0.432739 0.332172 0.808601 S\n0.340553 0.334550 0.251129 S\n0.875090 0.246279 0.972012 S\n0.874912 0.962338 0.652817 S\n0.490421 0.796079 0.391645 S\n0.048732 0.233287 0.195686 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.2025577079918195,
"density_atomic": 0.039572097823449594,
"volume": 2527.033073812481,
"volume_molar": 15.218148875674228,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -336.14580275,
"energy_per_atom": -3.3614580275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.99580275,
"band_gap": 1.2368,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.910000Z",
"spacegroup": 1
},
{
"id": "mp-30390",
"created_at": "2022-09-04T14:44:49.930983Z",
"structure_string": "Ho1 Sn1 Au1\n1.0\n0.000000 3.359189 3.359189\n3.359189 0.000000 3.359189\n3.359189 3.359189 0.000000\nHo Sn Au\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ho",
"Sn",
"Au"
],
"chemical_system": "Au-Ho-Sn",
"density": 10.527027925263454,
"density_atomic": 0.03957199454893497,
"volume": 75.81119006498855,
"volume_molar": 15.218188591815819,
"formula_full": "Ho1 Sn1 Au1",
"formula_reduced": "HoSnAu",
"formula_anonymous": "ABC",
"energy": -14.41747793,
"energy_per_atom": -4.805825976666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.41747793,
"band_gap": 0.0220000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007695,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.259000Z",
"spacegroup": 216
}
]
}