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=-band_gap&page=11526",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11524",
"results": [
{
"id": "mp-780628",
"created_at": "2022-09-04T14:43:35.279233Z",
"structure_string": "Na12 Cr4 B8 P2 O32\n1.0\n0.000000 7.006089 7.006089\n7.006089 0.000000 7.006089\n7.006089 7.006089 0.000000\nNa Cr B P O\n12 4 8 2 32\ndirect\n0.036608 0.463392 0.463392 Na\n0.036608 0.036608 0.463392 Na\n0.463392 0.036608 0.463392 Na\n0.036608 0.463392 0.036608 Na\n0.786608 0.213392 0.213392 Na\n0.786608 0.786608 0.213392 Na\n0.463392 0.463392 0.036608 Na\n0.463392 0.036608 0.036608 Na\n0.213392 0.786608 0.213392 Na\n0.786608 0.213392 0.786608 Na\n0.213392 0.786608 0.786608 Na\n0.213392 0.213392 0.786608 Na\n0.125000 0.625000 0.625000 Cr\n0.625000 0.125000 0.625000 Cr\n0.625000 0.625000 0.625000 Cr\n0.625000 0.625000 0.125000 Cr\n0.835873 0.835873 0.492382 B\n0.835873 0.835873 0.835873 B\n0.835873 0.492382 0.835873 B\n0.492382 0.835873 0.835873 B\n0.757618 0.414127 0.414127 B\n0.414127 0.757618 0.414127 B\n0.414127 0.414127 0.414127 B\n0.414127 0.414127 0.757618 B\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 P\n0.064086 0.064086 0.807743 O\n0.064086 0.064086 0.064086 O\n0.064086 0.807743 0.064086 O\n0.807743 0.064086 0.064086 O\n0.991482 0.719477 0.486632 O\n0.802409 0.991482 0.486632 O\n0.991482 0.802409 0.719477 O\n0.719477 0.802409 0.486632 O\n0.991482 0.486632 0.802409 O\n0.802409 0.486632 0.719477 O\n0.719477 0.991482 0.802409 O\n0.802409 0.719477 0.991482 O\n0.486632 0.991482 0.719477 O\n0.719477 0.486632 0.991482 O\n0.486632 0.719477 0.802409 O\n0.763368 0.447591 0.258518 O\n0.486632 0.802409 0.991482 O\n0.763368 0.530523 0.447591 O\n0.530523 0.763368 0.258518 O\n0.763368 0.258518 0.530523 O\n0.447591 0.530523 0.258518 O\n0.530523 0.258518 0.447591 O\n0.447591 0.763368 0.530523 O\n0.258518 0.763368 0.447591 O\n0.530523 0.447591 0.763368 O\n0.258518 0.447591 0.530523 O\n0.447591 0.258518 0.763368 O\n0.258518 0.530523 0.763368 O\n0.442257 0.185914 0.185914 O\n0.185914 0.185914 0.185914 O\n0.185914 0.442257 0.185914 O\n0.185914 0.185914 0.442257 O\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Na",
"Cr",
"B",
"P",
"O"
],
"chemical_system": "B-Cr-Na-O-P",
"density": 2.762636104237956,
"density_atomic": 0.08432785392215883,
"volume": 687.7917236401927,
"volume_molar": 7.141342367800449,
"formula_full": "Na12 Cr4 B8 P2 O32",
"formula_reduced": "Na6Cr2B4PO16",
"formula_anonymous": "AB2C4D6E16",
"energy": -416.12648506,
"energy_per_atom": -7.17459457,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -386.14648506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9994312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.128000Z",
"spacegroup": 203
},
{
"id": "mp-684641",
"created_at": "2022-09-04T14:43:35.811409Z",
"structure_string": "Fe14 S7\n1.0\n1.529489 4.373381 0.000000\n-1.529489 4.373381 0.000000\n0.000000 0.084002 19.522351\nFe S\n14 7\ndirect\n0.467072 0.467072 0.847498 Fe\n0.309518 0.309518 0.967288 Fe\n0.025342 0.025342 0.636024 Fe\n0.890524 0.890524 0.750171 Fe\n0.290391 0.290391 0.567899 Fe\n0.605404 0.605404 0.733483 Fe\n0.727221 0.727221 0.464661 Fe\n0.439100 0.439100 0.456054 Fe\n0.161417 0.161417 0.285725 Fe\n0.864033 0.864033 0.351041 Fe\n0.602663 0.602663 0.184033 Fe\n0.317839 0.317839 0.170680 Fe\n0.020601 0.020601 0.004097 Fe\n0.732394 0.732394 0.065403 Fe\n0.625530 0.625530 0.936586 S\n0.228819 0.228819 0.800966 S\n0.767810 0.767810 0.644987 S\n0.060841 0.060841 0.520447 S\n0.594990 0.594990 0.364075 S\n0.915995 0.915995 0.238215 S\n0.467688 0.467688 0.082174 S\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 6.39800112631646,
"density_atomic": 0.08040693550547383,
"volume": 261.1715005426415,
"volume_molar": 7.489578756039066,
"formula_full": "Fe14 S7",
"formula_reduced": "Fe2S",
"formula_anonymous": "AB2",
"energy": -151.87582966999997,
"energy_per_atom": -7.232182365238094,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.35482967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.0404812,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.050000Z",
"spacegroup": 8
},
{
"id": "mp-867212",
"created_at": "2022-09-04T14:43:38.028054Z",
"structure_string": "Tc2 Os6\n1.0\n2.761816 -4.783606 0.000000\n2.761816 4.783606 0.000000\n0.000000 0.000000 4.357727\nTc Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Tc\n0.666667 0.333333 0.250000 Tc\n0.167377 0.334754 0.250000 Os\n0.665246 0.832623 0.250000 Os\n0.167377 0.832623 0.250000 Os\n0.832623 0.665246 0.750000 Os\n0.334754 0.167377 0.750000 Os\n0.832623 0.167377 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tc",
"Os"
],
"chemical_system": "Os-Tc",
"density": 19.28695927323999,
"density_atomic": 0.06947840321582621,
"volume": 115.1436940073158,
"volume_molar": 8.667644161730303,
"formula_full": "Tc2 Os6",
"formula_reduced": "TcOs3",
"formula_anonymous": "AB3",
"energy": -88.68780414,
"energy_per_atom": -11.0859755175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.68780414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.303000Z",
"spacegroup": 194
},
{
"id": "mp-1360842",
"created_at": "2022-09-04T14:43:34.647905Z",
"structure_string": "Na2 Al3 As9 O28\n1.0\n7.631682 0.000000 0.000000\n-1.702820 8.890387 0.000000\n-2.352205 -4.780163 7.992036\nNa Al As O\n2 3 9 28\ndirect\n0.706762 0.979354 0.782126 Na\n0.293238 0.020646 0.217874 Na\n0.243503 0.000009 0.752723 Al\n0.756497 0.999991 0.247277 Al\n0.500000 0.500000 0.000000 Al\n0.677065 0.695837 0.591488 As\n0.172658 0.687681 0.090004 As\n0.322935 0.304163 0.408512 As\n0.827342 0.312319 0.909996 As\n0.797242 0.754130 0.072259 As\n0.306062 0.755851 0.569691 As\n0.202758 0.245870 0.927741 As\n0.693938 0.244149 0.430309 As\n0.000000 0.500000 0.500000 As\n0.263200 0.546958 0.046848 O\n0.764217 0.545406 0.542516 O\n0.736800 0.453042 0.953152 O\n0.235783 0.454594 0.457484 O\n0.718475 0.798371 0.235206 O\n0.217552 0.797015 0.733375 O\n0.281525 0.201629 0.764794 O\n0.782448 0.202985 0.266625 O\n0.432325 0.612084 0.608723 O\n0.926371 0.612323 0.114238 O\n0.567675 0.387916 0.391277 O\n0.073629 0.387677 0.885762 O\n0.587820 0.653881 0.071131 O\n0.083171 0.648789 0.575768 O\n0.412180 0.346119 0.928869 O\n0.916829 0.351211 0.424232 O\n0.794738 0.899182 0.440924 O\n0.295395 0.896487 0.946986 O\n0.205262 0.100818 0.559076 O\n0.704605 0.103513 0.053014 O\n0.644109 0.692742 0.774608 O\n0.137523 0.687979 0.281653 O\n0.355891 0.307258 0.225392 O\n0.862477 0.312021 0.718347 O\n0.956478 0.923832 0.881490 O\n0.457979 0.924402 0.378483 O\n0.043522 0.076168 0.118510 O\n0.542021 0.075598 0.621517 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Na",
"Al",
"As",
"O"
],
"chemical_system": "Al-As-Na-O",
"density": 3.825456954125376,
"density_atomic": 0.07745526192370494,
"volume": 542.2485052257764,
"volume_molar": 7.774992441355288,
"formula_full": "Na2 Al3 As9 O28",
"formula_reduced": "Na2Al3As9O28",
"formula_anonymous": "A2B3C9D28",
"energy": -109.75622034,
"energy_per_atom": -2.6132433414285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.24822034000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0171076,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.955000Z",
"spacegroup": 2
},
{
"id": "mp-1517268",
"created_at": "2022-09-04T14:43:34.672352Z",
"structure_string": "Ba1 Ca1 Cr1 Sn1 O6\n1.0\n-0.000000 -4.028112 -4.028112\n4.028112 0.000000 -4.028112\n4.028112 -4.028112 0.000000\nBa Ca Cr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 -0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.755999 0.244001 0.244001 O\n0.244001 0.755999 0.755999 O\n0.755999 0.244001 0.755999 O\n0.244001 0.755999 0.244001 O\n0.755999 0.755999 0.244001 O\n0.244001 0.244001 0.755999 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Cr",
"Sn",
"O"
],
"chemical_system": "Ba-Ca-Cr-O-Sn",
"density": 5.641603980339527,
"density_atomic": 0.07650069700133814,
"volume": 130.71776326201422,
"volume_molar": 7.872007701962064,
"formula_full": "Ba1 Ca1 Cr1 Sn1 O6",
"formula_reduced": "BaCaCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -71.97087381,
"energy_per_atom": -7.197087381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.84987381,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.428000Z",
"spacegroup": 216
},
{
"id": "mp-1186636",
"created_at": "2022-09-04T14:43:34.858270Z",
"structure_string": "Pm2 Rh6\n1.0\n2.966073 -5.137389 0.000000\n2.966073 5.137389 0.000000\n0.000000 0.000000 4.642223\nPm Rh\n2 6\ndirect\n0.333333 0.666667 0.750000 Pm\n0.666667 0.333333 0.250000 Pm\n0.154464 0.308927 0.250000 Rh\n0.691073 0.845536 0.250000 Rh\n0.154464 0.845536 0.250000 Rh\n0.845536 0.691073 0.750000 Rh\n0.308927 0.154464 0.750000 Rh\n0.845536 0.154464 0.750000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Rh"
],
"chemical_system": "Pm-Rh",
"density": 10.650828328437564,
"density_atomic": 0.05654701773165597,
"volume": 141.47518862911608,
"volume_molar": 10.649793749651106,
"formula_full": "Pm2 Rh6",
"formula_reduced": "PmRh3",
"formula_anonymous": "AB3",
"energy": -56.48364088,
"energy_per_atom": -7.06045511,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.48364088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.852000Z",
"spacegroup": 194
},
{
"id": "mp-1191126",
"created_at": "2022-09-04T14:43:34.879426Z",
"structure_string": "Ce6 Co16 Si2\n1.0\n2.490186 -4.313129 0.000000\n2.490186 4.313129 0.000000\n0.000000 0.000000 15.811750\nCe Co Si\n6 16 2\ndirect\n0.333333 0.666667 0.960046 Ce\n0.666667 0.333333 0.039954 Ce\n0.666667 0.333333 0.460046 Ce\n0.333333 0.666667 0.539954 Ce\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.166415 0.833585 0.369796 Co\n0.166415 0.332830 0.369796 Co\n0.667170 0.833585 0.369796 Co\n0.833585 0.166415 0.630204 Co\n0.833585 0.667170 0.630204 Co\n0.332830 0.166415 0.630204 Co\n0.833585 0.166415 0.869796 Co\n0.833585 0.667170 0.869796 Co\n0.332830 0.166415 0.869796 Co\n0.166415 0.833585 0.130204 Co\n0.166415 0.332830 0.130204 Co\n0.667170 0.833585 0.130204 Co\n0.333333 0.666667 0.250000 Co\n0.666667 0.333333 0.750000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.250000 Si\n0.000000 0.000000 0.750000 Si\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"Co",
"Si"
],
"chemical_system": "Ce-Co-Si",
"density": 8.994667191056344,
"density_atomic": 0.07066055956089023,
"volume": 339.65199467913226,
"volume_molar": 8.522633839052105,
"formula_full": "Ce6 Co16 Si2",
"formula_reduced": "Ce3Co8Si",
"formula_anonymous": "AB3C8",
"energy": -167.54876129000002,
"energy_per_atom": -6.981198387083334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.69076129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0360397,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.544000Z",
"spacegroup": 194
},
{
"id": "mp-999307",
"created_at": "2022-09-04T14:43:35.060726Z",
"structure_string": "Os2 N2\n1.0\n2.694667 0.000000 0.000000\n0.000000 2.694667 0.000000\n0.000000 0.000000 6.162415\nOs N\n2 2\ndirect\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.000000 Os\n0.000000 0.000000 0.750000 N\n0.000000 0.000000 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Os",
"N"
],
"chemical_system": "N-Os",
"density": 15.158342934830475,
"density_atomic": 0.08939203862327096,
"volume": 44.746714154907984,
"volume_molar": 6.7367752797085085,
"formula_full": "Os2 N2",
"formula_reduced": "OsN",
"formula_anonymous": "AB",
"energy": -37.32915216,
"energy_per_atom": -9.33228804,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.60715216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.28e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.887000Z",
"spacegroup": 131
},
{
"id": "mp-1180021",
"created_at": "2022-09-04T14:43:34.779414Z",
"structure_string": "P8 Pb4 O28\n1.0\n7.481286 0.000000 0.000000\n2.332826 7.903581 0.000000\n1.688435 1.722775 9.860114\nP Pb O\n8 4 28\ndirect\n0.959586 0.541836 0.780050 P\n0.040414 0.458164 0.219950 P\n0.668014 0.071399 0.343097 P\n0.331986 0.928601 0.656903 P\n0.836818 0.727195 0.025165 P\n0.163182 0.272805 0.974835 P\n0.585227 0.730161 0.458061 P\n0.414773 0.269839 0.541939 P\n0.708612 0.144892 0.963020 Pb\n0.291388 0.855108 0.036980 Pb\n0.109681 0.737215 0.437110 Pb\n0.890319 0.262785 0.562890 Pb\n0.985587 0.314832 0.320891 O\n0.014413 0.685168 0.679109 O\n0.849127 0.581291 0.158250 O\n0.150873 0.418709 0.841750 O\n0.839422 0.617642 0.911894 O\n0.160578 0.382358 0.088106 O\n0.848151 0.432250 0.747895 O\n0.151849 0.567750 0.252105 O\n0.818131 0.027102 0.437333 O\n0.181869 0.972898 0.562667 O\n0.713891 0.131814 0.194466 O\n0.286109 0.868186 0.805534 O\n0.784754 0.623415 0.462248 O\n0.215246 0.376585 0.537752 O\n0.643670 0.852706 0.036094 O\n0.356330 0.147294 0.963906 O\n0.579816 0.911187 0.356768 O\n0.420184 0.088813 0.643232 O\n0.555637 0.339897 0.586370 O\n0.444363 0.660103 0.413630 O\n0.488651 0.216002 0.393857 O\n0.511349 0.783998 0.606143 O\n0.993656 0.813268 0.000884 O\n0.006344 0.186732 0.999116 O\n0.831955 0.078597 0.760806 O\n0.168045 0.921403 0.239194 O\n0.514551 0.461900 0.950367 O\n0.485449 0.538100 0.049633 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"P",
"Pb",
"O"
],
"chemical_system": "O-P-Pb",
"density": 4.342254797926015,
"density_atomic": 0.06860849442015304,
"volume": 583.0181865680237,
"volume_molar": 8.77754396288145,
"formula_full": "P8 Pb4 O28",
"formula_reduced": "P2PbO7",
"formula_anonymous": "AB2C7",
"energy": -267.93546425,
"energy_per_atom": -6.69838660625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.42746425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9403879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.406000Z",
"spacegroup": 2
},
{
"id": "mp-1065204",
"created_at": "2022-09-04T14:43:34.873694Z",
"structure_string": "Cr1 Ag1 S2\n1.0\n7.264213 -1.713081 0.000000\n7.264213 1.713081 0.000000\n6.860227 0.000000 2.939512\nCr Ag S\n1 1 2\ndirect\n0.857210 0.857210 0.857210 Cr\n0.014018 0.014018 0.014018 Ag\n0.128029 0.128029 0.128029 S\n0.260742 0.260742 0.260742 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S",
"density": 5.084103264003739,
"density_atomic": 0.05467493682613638,
"volume": 73.15966386426388,
"volume_molar": 11.014444843622064,
"formula_full": "Cr1 Ag1 S2",
"formula_reduced": "CrAgS2",
"formula_anonymous": "ABC2",
"energy": -22.88725085,
"energy_per_atom": -5.7218127125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.88125085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9886863,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.019000Z",
"spacegroup": 160
},
{
"id": "mp-1147580",
"created_at": "2022-09-04T14:43:35.348567Z",
"structure_string": "Sr2 Cu1 Se1 O2\n1.0\n3.951388 0.000000 0.000000\n0.000000 3.951388 0.000000\n0.000000 0.000000 6.986685\nSr Cu Se O\n2 1 1 2\ndirect\n0.000000 0.000000 0.242525 Sr\n0.000000 0.000000 0.757475 Sr\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Se\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-O-Se-Sr",
"density": 5.323899482187957,
"density_atomic": 0.055002285240392454,
"volume": 109.08637657101806,
"volume_molar": 10.948891911817283,
"formula_full": "Sr2 Cu1 Se1 O2",
"formula_reduced": "Sr2CuSeO2",
"formula_anonymous": "ABC2D2",
"energy": -33.67409638,
"energy_per_atom": -5.612349396666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.828096380000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0498189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.145000Z",
"spacegroup": 123
},
{
"id": "mp-1097070",
"created_at": "2022-09-04T14:43:35.390990Z",
"structure_string": "Zr1 Ga1 Rh2\n1.0\n-4.703209 5.530166 7.819981\n4.703209 -5.530166 7.819981\n4.703209 5.530166 -7.819981\nZr Ga Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.264636 0.264636 Rh\n0.000000 0.735364 0.735364 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Zr",
"density": 0.748566793754354,
"density_atomic": 0.004916565802854708,
"volume": 813.5760122802542,
"volume_molar": 122.48673162277949,
"formula_full": "Zr1 Ga1 Rh2",
"formula_reduced": "ZrGaRh2",
"formula_anonymous": "ABC2",
"energy": -18.82763248,
"energy_per_atom": -4.70690812,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.82763248,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.985000Z",
"spacegroup": 71
}
]
}