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=12108",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=12106",
"results": [
{
"id": "mp-1225585",
"created_at": "2022-09-04T14:47:32.157544Z",
"structure_string": "Dy6 Ge3 Se14\n1.0\n0.000001 -0.000045 -6.038043\n-10.399116 0.000058 0.000002\n-5.199609 9.005910 0.000066\nDy Ge Se\n6 3 14\ndirect\n0.247997 0.226845 0.130716 Dy\n0.247989 0.642457 0.226843 Dy\n0.247994 0.130712 0.642437 Dy\n0.749725 0.772463 0.869005 Dy\n0.749722 0.358516 0.772471 Dy\n0.749721 0.868996 0.358530 Dy\n0.829048 0.333340 0.333331 Ge\n0.331674 0.666663 0.666665 Ge\n0.479226 0.999991 0.000004 Ge\n0.437840 0.333388 0.333308 Se\n0.939714 0.666659 0.666670 Se\n0.997803 0.094260 0.419792 Se\n0.997807 0.485967 0.094241 Se\n0.997809 0.419792 0.485956 Se\n0.500331 0.905297 0.581012 Se\n0.500339 0.513676 0.905312 Se\n0.500336 0.580997 0.513688 Se\n0.719175 0.161269 0.098193 Se\n0.719185 0.740538 0.161277 Se\n0.719181 0.098182 0.740536 Se\n0.224456 0.835911 0.903942 Se\n0.224470 0.260135 0.835921 Se\n0.224456 0.903946 0.260150 Se\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Dy",
"Ge",
"Se"
],
"chemical_system": "Dy-Ge-Se",
"density": 6.749138242926822,
"density_atomic": 0.040673262326091406,
"volume": 565.4820558921771,
"volume_molar": 14.80614146885599,
"formula_full": "Dy6 Ge3 Se14",
"formula_reduced": "Dy6Ge3Se14",
"formula_anonymous": "A3B6C14",
"energy": -126.45135511,
"energy_per_atom": -5.497885004782608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.84335511000002,
"band_gap": 1.0556,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.935000Z",
"spacegroup": 143
},
{
"id": "mp-568030",
"created_at": "2022-09-04T14:47:26.391541Z",
"structure_string": "Th2 Al20 Fe4\n1.0\n4.481381 -5.120116 0.000000\n4.481381 5.120116 0.000000\n0.000000 0.000000 9.019587\nTh Al Fe\n2 20 4\ndirect\n0.875013 0.124987 0.750000 Th\n0.124987 0.875013 0.250000 Th\n0.518504 0.777485 0.750000 Al\n0.481496 0.222515 0.250000 Al\n0.589543 0.865263 0.250000 Al\n0.771008 0.771008 0.000000 Al\n0.160718 0.839282 0.598848 Al\n0.228992 0.228992 0.000000 Al\n0.134737 0.410457 0.250000 Al\n0.623498 0.376502 0.950247 Al\n0.839282 0.160718 0.098848 Al\n0.376502 0.623498 0.450247 Al\n0.160718 0.839282 0.901152 Al\n0.222515 0.481496 0.750000 Al\n0.376502 0.623498 0.049753 Al\n0.839282 0.160718 0.401152 Al\n0.623498 0.376502 0.549753 Al\n0.410457 0.134737 0.750000 Al\n0.777485 0.518504 0.250000 Al\n0.771008 0.771008 0.500000 Al\n0.228992 0.228992 0.500000 Al\n0.865263 0.589543 0.750000 Al\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Th",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Th",
"density": 4.922844274565209,
"density_atomic": 0.0628152411599681,
"volume": 413.9122849785331,
"volume_molar": 9.587069393976767,
"formula_full": "Th2 Al20 Fe4",
"formula_reduced": "Th(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy": -132.69347077,
"energy_per_atom": -5.103595029615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.69347077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.454000Z",
"spacegroup": 63
},
{
"id": "mp-1195106",
"created_at": "2022-09-04T14:47:31.561697Z",
"structure_string": "H32 C20\n1.0\n6.854012 0.000000 0.000000\n0.000000 6.854012 0.000000\n0.000000 0.000000 9.350842\nH C\n32 20\ndirect\n0.810780 0.447921 0.663529 H\n0.310780 0.052079 0.836471 H\n0.189220 0.552079 0.663529 H\n0.689220 0.947921 0.836471 H\n0.447921 0.189220 0.336471 H\n0.052079 0.689220 0.163529 H\n0.552079 0.810780 0.336471 H\n0.947921 0.310780 0.163529 H\n0.519760 0.627092 0.762336 H\n0.019760 0.872908 0.737664 H\n0.480240 0.372908 0.762336 H\n0.980240 0.127092 0.737664 H\n0.627092 0.480240 0.237664 H\n0.872908 0.980240 0.262336 H\n0.372908 0.519760 0.237664 H\n0.127092 0.019760 0.262336 H\n0.733350 0.780766 0.567026 H\n0.233350 0.719234 0.932974 H\n0.266650 0.219234 0.567026 H\n0.766650 0.280766 0.932974 H\n0.780766 0.266650 0.432974 H\n0.719234 0.766650 0.067026 H\n0.219234 0.733350 0.432974 H\n0.280766 0.233350 0.067026 H\n0.843144 0.631037 0.435031 H\n0.343144 0.868963 0.064969 H\n0.156856 0.368963 0.435031 H\n0.656856 0.131037 0.064969 H\n0.631037 0.156856 0.564969 H\n0.868963 0.656856 0.935031 H\n0.368963 0.843144 0.564969 H\n0.131037 0.343144 0.935031 H\n0.680487 0.469843 0.595951 C\n0.180487 0.030157 0.904049 C\n0.319513 0.530157 0.595951 C\n0.819513 0.969843 0.904049 C\n0.469843 0.319513 0.404049 C\n0.030157 0.819513 0.095951 C\n0.530157 0.680487 0.404049 C\n0.969843 0.180487 0.095951 C\n0.710369 0.650312 0.500435 C\n0.210369 0.849688 0.999565 C\n0.289631 0.349688 0.500435 C\n0.789631 0.150312 0.999565 C\n0.650312 0.289631 0.499565 C\n0.849688 0.789631 0.000435 C\n0.349688 0.710369 0.499565 C\n0.150312 0.210369 0.000435 C\n0.500000 0.500000 0.691289 C\n0.000000 0.000000 0.808711 C\n0.500000 0.500000 0.308711 C\n0.000000 0.000000 0.191289 C\n",
"nsites": 52,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.029969321623781,
"density_atomic": 0.118375793686757,
"volume": 439.2789976775241,
"volume_molar": 5.087307609472622,
"formula_full": "H32 C20",
"formula_reduced": "H8C5",
"formula_anonymous": "A5B8",
"energy": -300.38477182,
"energy_per_atom": -5.776630227307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -300.38477182,
"band_gap": 4.9384,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.126000Z",
"spacegroup": 114
},
{
"id": "mp-1519795",
"created_at": "2022-09-04T14:47:26.627606Z",
"structure_string": "Sr1 Ca1 La1 Sb1 O6\n1.0\n0.000000 -4.301274 -4.301274\n4.301274 0.000000 -4.301274\n4.301274 -4.301274 0.000000\nSr Ca La Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Sb\n0.731655 0.268345 0.268345 O\n0.268345 0.731655 0.731655 O\n0.731655 0.268345 0.731655 O\n0.268345 0.731655 0.268345 O\n0.731655 0.731655 0.268345 O\n0.268345 0.268345 0.731655 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"La",
"Sb",
"O"
],
"chemical_system": "Ca-La-O-Sb-Sr",
"density": 5.053542577453718,
"density_atomic": 0.06283168080913999,
"volume": 159.15537943949641,
"volume_molar": 9.584560976958574,
"formula_full": "Sr1 Ca1 La1 Sb1 O6",
"formula_reduced": "SrCaLaSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.19204433,
"energy_per_atom": -7.119204433,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.07004433,
"band_gap": 3.1114,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.577000Z",
"spacegroup": 216
},
{
"id": "mp-559384",
"created_at": "2022-09-04T14:47:22.961890Z",
"structure_string": "Ba8 Na8 Nd8 Si16 O56\n1.0\n9.428997 0.000000 0.000000\n0.000000 10.649101 0.000000\n0.000000 0.000000 14.368346\nBa Na Nd Si O\n8 8 8 16 56\ndirect\n0.083309 0.821047 0.395263 Ba\n0.583309 0.678953 0.395263 Ba\n0.916691 0.678953 0.895263 Ba\n0.416691 0.821047 0.895263 Ba\n0.416691 0.321047 0.604737 Ba\n0.916691 0.178953 0.604737 Ba\n0.083309 0.321047 0.104737 Ba\n0.583309 0.178953 0.104737 Ba\n0.561658 0.586977 0.694752 Na\n0.438342 0.413023 0.305248 Na\n0.938342 0.586977 0.194752 Na\n0.438342 0.913023 0.194752 Na\n0.561658 0.086977 0.805248 Na\n0.061658 0.913023 0.694752 Na\n0.061658 0.413023 0.805248 Na\n0.938342 0.086977 0.305248 Na\n0.899372 0.081924 0.895946 Nd\n0.100628 0.918076 0.104054 Nd\n0.899372 0.581924 0.604054 Nd\n0.600628 0.081924 0.395946 Nd\n0.600628 0.581924 0.104054 Nd\n0.399372 0.918076 0.604054 Nd\n0.399372 0.418076 0.895946 Nd\n0.100628 0.418076 0.395946 Nd\n0.279419 0.106085 0.983114 Si\n0.720581 0.393915 0.483114 Si\n0.752894 0.852235 0.222853 Si\n0.220581 0.106085 0.483114 Si\n0.220581 0.606085 0.016886 Si\n0.779419 0.393915 0.983114 Si\n0.252894 0.647765 0.222853 Si\n0.247106 0.147765 0.777147 Si\n0.720581 0.893915 0.016886 Si\n0.747106 0.352235 0.777147 Si\n0.279419 0.606085 0.516886 Si\n0.752894 0.352235 0.277147 Si\n0.247106 0.647765 0.722853 Si\n0.252894 0.147765 0.277147 Si\n0.747106 0.852235 0.722853 Si\n0.779419 0.893915 0.516886 Si\n0.105164 0.599778 0.508669 O\n0.265298 0.300328 0.787485 O\n0.579968 0.891842 0.729602 O\n0.158134 0.989235 0.544517 O\n0.852951 0.400224 0.694354 O\n0.765298 0.699672 0.712515 O\n0.677327 0.422554 0.371474 O\n0.340293 0.745228 0.490085 O\n0.352951 0.599776 0.805646 O\n0.920032 0.891842 0.229602 O\n0.579968 0.391842 0.770398 O\n0.394836 0.099778 0.491331 O\n0.341866 0.489235 0.455483 O\n0.394836 0.599778 0.008669 O\n0.340293 0.245228 0.009915 O\n0.677327 0.922554 0.128526 O\n0.147049 0.599776 0.305646 O\n0.840293 0.254772 0.009915 O\n0.158134 0.489235 0.955483 O\n0.852951 0.900224 0.805646 O\n0.234702 0.800328 0.212515 O\n0.265298 0.800328 0.712515 O\n0.658134 0.510765 0.544517 O\n0.147049 0.099776 0.194354 O\n0.841866 0.510765 0.044517 O\n0.647049 0.900224 0.305646 O\n0.822673 0.422554 0.871474 O\n0.734702 0.699672 0.212515 O\n0.894836 0.900222 0.008669 O\n0.177327 0.077446 0.371474 O\n0.105164 0.099778 0.991331 O\n0.159707 0.245228 0.509915 O\n0.605164 0.400222 0.991331 O\n0.322673 0.077446 0.871474 O\n0.079968 0.608158 0.729602 O\n0.765298 0.199672 0.787485 O\n0.734702 0.199672 0.287485 O\n0.159707 0.745228 0.990085 O\n0.658134 0.010765 0.955483 O\n0.322673 0.577446 0.628526 O\n0.079968 0.108158 0.770398 O\n0.234702 0.300328 0.287485 O\n0.647049 0.400224 0.194354 O\n0.659707 0.754772 0.990085 O\n0.352951 0.099776 0.694354 O\n0.659707 0.254772 0.509915 O\n0.341866 0.989235 0.044517 O\n0.894836 0.400222 0.491331 O\n0.920032 0.391842 0.270398 O\n0.420032 0.608158 0.229602 O\n0.177327 0.577446 0.128526 O\n0.605164 0.900222 0.508669 O\n0.822673 0.922554 0.628526 O\n0.841866 0.010765 0.455483 O\n0.420032 0.108158 0.270398 O\n0.840293 0.754772 0.490085 O\n",
"nsites": 96,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Nd",
"Si",
"O"
],
"chemical_system": "Ba-Na-Nd-O-Si",
"density": 4.352742308597087,
"density_atomic": 0.06654049263303925,
"volume": 1442.7305269503408,
"volume_molar": 9.05033990837909,
"formula_full": "Ba8 Na8 Nd8 Si16 O56",
"formula_reduced": "BaNaNdSi2O7",
"formula_anonymous": "ABCD2E7",
"energy": -749.73741921,
"energy_per_atom": -7.8097647834375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -711.26541921,
"band_gap": 4.4466,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001293,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.008000Z",
"spacegroup": 61
},
{
"id": "mp-1077994",
"created_at": "2022-09-04T14:47:22.981847Z",
"structure_string": "Si1 Sn1 Pd5\n1.0\n4.020271 0.000000 0.000000\n0.000000 4.020271 0.000000\n0.000000 0.000000 6.998252\nSi Sn Pd\n1 1 5\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.704052 Pd\n0.000000 0.500000 0.704052 Pd\n0.500000 0.000000 0.295948 Pd\n0.000000 0.500000 0.295948 Pd\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Si",
"Sn",
"Pd"
],
"chemical_system": "Pd-Si-Sn",
"density": 9.966709319920465,
"density_atomic": 0.061886768319299214,
"volume": 113.10980020614632,
"volume_molar": 9.730901973955577,
"formula_full": "Si1 Sn1 Pd5",
"formula_reduced": "SiSnPd5",
"formula_anonymous": "ABC5",
"energy": -39.64627653,
"energy_per_atom": -5.66375379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.64627653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009217,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.268000Z",
"spacegroup": 123
},
{
"id": "mp-1097077",
"created_at": "2022-09-04T14:47:31.618638Z",
"structure_string": "In2 Hg1 Pb1\n1.0\n-5.808414 6.305594 8.935032\n5.808414 -6.305594 8.935032\n5.808414 6.305594 -8.935032\nIn Hg Pb\n2 1 1\ndirect\n0.000000 0.256258 0.256258 In\n0.000000 0.743742 0.743742 In\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Hg",
"Pb"
],
"chemical_system": "Hg-In-Pb",
"density": 0.8086101715758113,
"density_atomic": 0.0030557675870642896,
"volume": 1309.0000747873778,
"volume_molar": 197.0745676305029,
"formula_full": "In2 Hg1 Pb1",
"formula_reduced": "In2HgPb",
"formula_anonymous": "ABC2",
"energy": -5.8070814,
"energy_per_atom": -1.45177035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.8070814,
"band_gap": 0.5059,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3725427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.581000Z",
"spacegroup": 71
},
{
"id": "mp-1184126",
"created_at": "2022-09-04T14:47:31.710547Z",
"structure_string": "Er2 Mg1 Tc1\n1.0\n0.000000 3.538754 3.538754\n3.538754 0.000000 3.538754\n3.538754 3.538754 0.000000\nEr Mg Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Tc"
],
"chemical_system": "Er-Mg-Tc",
"density": 8.55886041315606,
"density_atomic": 0.04513140728118295,
"volume": 88.63007472997096,
"volume_molar": 13.343569639830104,
"formula_full": "Er2 Mg1 Tc1",
"formula_reduced": "Er2MgTc",
"formula_anonymous": "ABC2",
"energy": -21.24334202,
"energy_per_atom": -5.310835505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.24334202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007455,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.283000Z",
"spacegroup": 225
},
{
"id": "mp-1223990",
"created_at": "2022-09-04T14:47:23.102928Z",
"structure_string": "In4 Bi1\n1.0\n1.777712 2.726520 0.000000\n-1.777712 2.726520 0.000000\n0.000000 0.079995 14.893483\nIn Bi\n4 1\ndirect\n0.401897 0.401897 0.796358 In\n0.799439 0.799439 0.599254 In\n0.200561 0.200561 0.400746 In\n0.598103 0.598103 0.203642 In\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 5,
"nelements": 2,
"elements": [
"In",
"Bi"
],
"chemical_system": "Bi-In",
"density": 7.685874047774097,
"density_atomic": 0.034631686616704876,
"volume": 144.37645083067392,
"volume_molar": 17.389106186630745,
"formula_full": "In4 Bi1",
"formula_reduced": "In4Bi",
"formula_anonymous": "AB4",
"energy": -14.55408646,
"energy_per_atom": -2.910817292,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.55408646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001303,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.653000Z",
"spacegroup": 12
},
{
"id": "mp-1247283",
"created_at": "2022-09-04T14:47:23.137156Z",
"structure_string": "Ba6 Co4 N8\n1.0\n7.860503 0.081411 -0.163908\n-5.891790 7.528997 0.000000\n-0.246045 -0.192541 5.499893\nBa Co N\n6 4 8\ndirect\n0.303072 0.024874 0.088096 Ba\n0.696928 0.721802 0.411904 Ba\n0.696928 0.975126 0.911904 Ba\n0.303072 0.278198 0.588096 Ba\n0.000000 0.626312 0.750000 Ba\n0.000000 0.373688 0.250000 Ba\n0.603698 0.189913 0.586488 Co\n0.396302 0.586216 0.913512 Co\n0.396302 0.810087 0.413512 Co\n0.603698 0.413784 0.086488 Co\n0.331817 0.955387 0.581438 N\n0.668183 0.623570 0.918562 N\n0.668183 0.044613 0.418563 N\n0.331817 0.376430 0.081437 N\n0.656113 0.290319 0.885602 N\n0.343887 0.634206 0.614398 N\n0.343887 0.709681 0.114398 N\n0.656113 0.365794 0.385602 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Co",
"N"
],
"chemical_system": "Ba-Co-N",
"density": 5.938606155791798,
"density_atomic": 0.05493809170986983,
"volume": 327.6415222985664,
"volume_molar": 10.96168536723692,
"formula_full": "Ba6 Co4 N8",
"formula_reduced": "Ba3(CoN2)2",
"formula_anonymous": "A2B3C4",
"energy": -112.53147546,
"energy_per_atom": -6.251748636666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.64347546,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004659,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.767000Z",
"spacegroup": 15
},
{
"id": "mp-3201",
"created_at": "2022-09-04T14:47:23.146710Z",
"structure_string": "Li2 Ga1 Pd1\n1.0\n0.000000 3.054091 3.054091\n3.054091 0.000000 3.054091\n3.054091 3.054091 0.000000\nLi Ga Pd\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Pd"
],
"chemical_system": "Ga-Li-Pd",
"density": 5.538394960380049,
"density_atomic": 0.07020759173247595,
"volume": 56.97389557587856,
"volume_molar": 8.577620470087048,
"formula_full": "Li2 Ga1 Pd1",
"formula_reduced": "Li2GaPd",
"formula_anonymous": "ABC2",
"energy": -14.23007924,
"energy_per_atom": -3.55751981,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.23007924,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068776,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.245000Z",
"spacegroup": 216
},
{
"id": "mp-1217595",
"created_at": "2022-09-04T14:47:23.154122Z",
"structure_string": "Tb1 Al1 Ni4\n1.0\n2.520820 -4.366189 0.000000\n2.520820 4.366189 0.000000\n0.000000 0.000000 3.850096\nTb Al Ni\n1 1 4\ndirect\n0.666667 0.333333 0.000000 Tb\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.000000 Ni\n0.662639 0.831320 0.500000 Ni\n0.168680 0.831320 0.500000 Ni\n0.168680 0.337361 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Tb",
"density": 8.242435283714713,
"density_atomic": 0.07079544715667242,
"volume": 84.75121269764456,
"volume_molar": 8.506395540765249,
"formula_full": "Tb1 Al1 Ni4",
"formula_reduced": "TbAlNi4",
"formula_anonymous": "ABC4",
"energy": -34.25646672,
"energy_per_atom": -5.7094111199999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.25646672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0709849,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.584000Z",
"spacegroup": 187
}
]
}