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&page=11476",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=11474",
"results": [
{
"id": "mp-1212439",
"created_at": "2022-09-04T14:39:08.800163Z",
"structure_string": "Hf10 Al6 C2\n1.0\n4.079379 -7.065691 0.000000\n4.079379 7.065691 0.000000\n0.000000 0.000000 5.688055\nHf Al C\n10 6 2\ndirect\n0.224082 0.000000 0.250000 Hf\n0.775918 0.000000 0.750000 Hf\n0.000000 0.224082 0.250000 Hf\n0.000000 0.775918 0.750000 Hf\n0.775918 0.775918 0.250000 Hf\n0.224082 0.224082 0.750000 Hf\n0.333333 0.666667 0.000000 Hf\n0.666667 0.333333 0.000000 Hf\n0.666667 0.333333 0.500000 Hf\n0.333333 0.666667 0.500000 Hf\n0.597371 0.000000 0.250000 Al\n0.402629 0.000000 0.750000 Al\n0.000000 0.597371 0.250000 Al\n0.000000 0.402629 0.750000 Al\n0.402629 0.402629 0.250000 Al\n0.597371 0.597371 0.750000 Al\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Al",
"C"
],
"chemical_system": "Al-C-Hf",
"density": 9.980481971558358,
"density_atomic": 0.05489465066626711,
"volume": 327.9008023829368,
"volume_molar": 10.970359929261049,
"formula_full": "Hf10 Al6 C2",
"formula_reduced": "Hf5Al3C",
"formula_anonymous": "AB3C5",
"energy": -148.89932653,
"energy_per_atom": -8.272184807222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.89932653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0821252,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.002000Z",
"spacegroup": 193
},
{
"id": "mp-1222980",
"created_at": "2022-09-04T14:39:33.412625Z",
"structure_string": "Lu6 Ga6 Ni12\n1.0\n2.545968 -4.409746 0.000000\n2.545968 4.409746 0.000000\n0.000000 0.000000 16.097116\nLu Ga Ni\n6 6 12\ndirect\n0.333333 0.666667 0.966309 Lu\n0.666667 0.333333 0.033691 Lu\n0.666667 0.333333 0.460659 Lu\n0.333333 0.666667 0.539341 Lu\n0.333333 0.666667 0.742652 Lu\n0.666667 0.333333 0.257348 Lu\n0.832617 0.167383 0.869652 Ga\n0.832617 0.665234 0.869652 Ga\n0.334766 0.167383 0.869652 Ga\n0.167383 0.832617 0.130348 Ga\n0.167383 0.334766 0.130348 Ga\n0.665234 0.832617 0.130348 Ga\n0.333333 0.666667 0.254329 Ni\n0.666667 0.333333 0.745671 Ni\n0.000000 0.000000 0.252888 Ni\n0.000000 0.000000 0.747112 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.167655 0.832345 0.376050 Ni\n0.167655 0.335309 0.376050 Ni\n0.664691 0.832345 0.376050 Ni\n0.832345 0.167655 0.623950 Ni\n0.832345 0.664691 0.623950 Ni\n0.335309 0.167655 0.623950 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Lu",
"Ga",
"Ni"
],
"chemical_system": "Ga-Lu-Ni",
"density": 9.980595650860407,
"density_atomic": 0.06639978247586814,
"volume": 361.4469672204482,
"volume_molar": 9.069518807819353,
"formula_full": "Lu6 Ga6 Ni12",
"formula_reduced": "LuGaNi2",
"formula_anonymous": "ABC2",
"energy": -125.74799035,
"energy_per_atom": -5.239499597916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.74799035,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0480658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.054000Z",
"spacegroup": 164
},
{
"id": "mp-1189848",
"created_at": "2022-09-04T14:41:48.746213Z",
"structure_string": "Tb10 Bi6\n1.0\n4.625186 -8.011058 0.000000\n4.625186 8.011058 0.000000\n0.000000 0.000000 6.383207\nTb Bi\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.755486 0.755486 0.750000 Tb\n0.244514 0.000000 0.750000 Tb\n0.000000 0.244514 0.750000 Tb\n0.244514 0.244514 0.250000 Tb\n0.755486 0.000000 0.250000 Tb\n0.000000 0.755486 0.250000 Tb\n0.387367 0.387367 0.750000 Bi\n0.612633 0.000000 0.750000 Bi\n0.000000 0.612633 0.750000 Bi\n0.612633 0.612633 0.250000 Bi\n0.387367 0.000000 0.250000 Bi\n0.000000 0.387367 0.250000 Bi\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Bi"
],
"chemical_system": "Bi-Tb",
"density": 9.980647429062651,
"density_atomic": 0.03382454631986792,
"volume": 473.02925658464466,
"volume_molar": 17.804054792193043,
"formula_full": "Tb10 Bi6",
"formula_reduced": "Tb5Bi3",
"formula_anonymous": "A3B5",
"energy": -80.97600761,
"energy_per_atom": -5.061000475625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.97600761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1241602,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.261000Z",
"spacegroup": 193
},
{
"id": "mp-973300",
"created_at": "2022-09-04T14:48:27.733605Z",
"structure_string": "Lu6 Ga2\n1.0\n3.303261 -5.721416 0.000000\n3.303261 5.721416 0.000000\n0.000000 0.000000 5.234625\nLu Ga\n6 2\ndirect\n0.171833 0.343665 0.250000 Lu\n0.656335 0.828167 0.250000 Lu\n0.171833 0.828167 0.250000 Lu\n0.828167 0.656335 0.750000 Lu\n0.343665 0.171833 0.750000 Lu\n0.828167 0.171833 0.750000 Lu\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"Ga"
],
"chemical_system": "Ga-Lu",
"density": 9.980666418593955,
"density_atomic": 0.040432258416847534,
"volume": 197.86181413666756,
"volume_molar": 14.894396196999626,
"formula_full": "Lu6 Ga2",
"formula_reduced": "Lu3Ga",
"formula_anonymous": "AB3",
"energy": -35.07360951,
"energy_per_atom": -4.38420118875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.07360951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2196922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:18.921000Z",
"spacegroup": 194
},
{
"id": "mp-1225723",
"created_at": "2022-09-04T14:42:57.786097Z",
"structure_string": "Er2 Lu2 B8 Ru4\n1.0\n5.281004 0.000000 0.000000\n0.000000 5.867228 0.000000\n0.000000 0.000000 6.310302\nEr Lu B Ru\n2 2 8 4\ndirect\n0.500000 0.489520 0.585591 Er\n0.500000 0.989520 0.414409 Er\n0.000000 0.510771 0.915247 Lu\n0.000000 0.010771 0.084753 Lu\n0.667833 0.132846 0.788618 B\n0.332167 0.632846 0.211382 B\n0.164896 0.866352 0.715033 B\n0.835104 0.366352 0.284967 B\n0.835104 0.866352 0.715033 B\n0.164896 0.366352 0.284967 B\n0.332167 0.132846 0.788618 B\n0.667833 0.632846 0.211382 B\n0.500000 0.320223 0.067760 Ru\n0.500000 0.820223 0.932240 Ru\n0.000000 0.681090 0.430571 Ru\n0.000000 0.181090 0.569429 Ru\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Er",
"Lu",
"B",
"Ru"
],
"chemical_system": "B-Er-Lu-Ru",
"density": 9.980876118968816,
"density_atomic": 0.0818314745049596,
"volume": 195.52378955398487,
"volume_molar": 7.3591986413919654,
"formula_full": "Er2 Lu2 B8 Ru4",
"formula_reduced": "ErLu(B2Ru)2",
"formula_anonymous": "ABC2D4",
"energy": -119.13701765,
"energy_per_atom": -7.446063603125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.13701765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000674,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.331000Z",
"spacegroup": 26
},
{
"id": "mp-1198372",
"created_at": "2022-09-04T14:47:34.811225Z",
"structure_string": "Nb16 Bi47\n1.0\n11.284604 0.000000 0.000000\n0.000000 11.284604 0.000000\n-5.642302 -5.642302 14.773976\nNb Bi\n16 47\ndirect\n0.210505 0.868392 0.736785 Nb\n0.526280 0.868392 0.736785 Nb\n0.131608 0.789495 0.263215 Nb\n0.131608 0.473720 0.263215 Nb\n0.406998 0.055192 0.813995 Nb\n0.406998 0.758803 0.813995 Nb\n0.241197 0.593002 0.186005 Nb\n0.944808 0.593002 0.186005 Nb\n0.847570 0.847570 0.695139 Nb\n0.152430 0.152430 0.304861 Nb\n0.617561 0.267924 0.535848 Nb\n0.918287 0.267924 0.535848 Nb\n0.732076 0.382439 0.464152 Nb\n0.732076 0.081713 0.464152 Nb\n0.424549 0.424549 0.849097 Nb\n0.575451 0.575451 0.150903 Nb\n0.957321 0.935687 0.582062 Bi\n0.624741 0.646375 0.582062 Bi\n0.624741 0.935687 0.582062 Bi\n0.957321 0.646375 0.582062 Bi\n0.353625 0.042679 0.417938 Bi\n0.064313 0.375259 0.417938 Bi\n0.353625 0.375259 0.417938 Bi\n0.064313 0.042679 0.417938 Bi\n0.056247 0.697450 0.394901 Bi\n0.338654 0.697450 0.394901 Bi\n0.302550 0.943753 0.605099 Bi\n0.302550 0.661346 0.605099 Bi\n0.307799 0.507467 0.014934 Bi\n0.707136 0.507467 0.014934 Bi\n0.492533 0.692201 0.985066 Bi\n0.492533 0.292864 0.985066 Bi\n0.519573 0.166035 0.332071 Bi\n0.812498 0.166035 0.332071 Bi\n0.833965 0.480427 0.667929 Bi\n0.833965 0.187502 0.667929 Bi\n0.756128 0.415585 0.831170 Bi\n0.075041 0.415585 0.831170 Bi\n0.584415 0.243872 0.168830 Bi\n0.584415 0.924959 0.168830 Bi\n0.705702 0.705702 0.411404 Bi\n0.294298 0.294298 0.588596 Bi\n0.621792 0.976429 0.952859 Bi\n0.331066 0.976429 0.952859 Bi\n0.023571 0.378208 0.047141 Bi\n0.023571 0.668934 0.047141 Bi\n0.000000 0.000000 0.000000 Bi\n0.765948 0.066829 0.835960 Bi\n0.070011 0.769131 0.835960 Bi\n0.070011 0.066829 0.835960 Bi\n0.765948 0.769131 0.835960 Bi\n0.230869 0.234052 0.164040 Bi\n0.933171 0.929989 0.164040 Bi\n0.230869 0.929989 0.164040 Bi\n0.933171 0.234052 0.164040 Bi\n0.469888 0.793084 0.270965 Bi\n0.801077 0.477881 0.270965 Bi\n0.801077 0.793084 0.270965 Bi\n0.469888 0.477881 0.270965 Bi\n0.522119 0.530112 0.729035 Bi\n0.206916 0.198923 0.729035 Bi\n0.522119 0.198923 0.729035 Bi\n0.206916 0.530112 0.729035 Bi\n",
"nsites": 63,
"nelements": 2,
"elements": [
"Nb",
"Bi"
],
"chemical_system": "Bi-Nb",
"density": 9.98130140100278,
"density_atomic": 0.033486558285221055,
"volume": 1881.351898376621,
"volume_molar": 17.983755477963854,
"formula_full": "Nb16 Bi47",
"formula_reduced": "Nb16Bi47",
"formula_anonymous": "A16B47",
"energy": -327.52713756,
"energy_per_atom": -5.198843453333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -327.52713756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7841687,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.508000Z",
"spacegroup": 119
},
{
"id": "mp-1229301",
"created_at": "2022-09-04T14:43:03.984152Z",
"structure_string": "Ca16 Er8 Sn60 Pt36\n1.0\n0.000000 -4.488548 0.000000\n-7.455597 0.000000 0.003070\n0.032974 0.000000 -80.161052\nCa Er Sn Pt\n16 8 60 36\ndirect\n0.750000 0.251035 0.025632 Ca\n0.750000 0.250918 0.358955 Ca\n0.750000 0.251028 0.692300 Ca\n0.750000 0.750903 0.141049 Ca\n0.750000 0.750899 0.474384 Ca\n0.750000 0.750895 0.807717 Ca\n0.250000 0.748412 0.307764 Ca\n0.250000 0.748743 0.641076 Ca\n0.250000 0.748753 0.974403 Ca\n0.250000 0.248392 0.192235 Ca\n0.250000 0.248829 0.525598 Ca\n0.250000 0.248823 0.858936 Ca\n0.750000 0.282507 0.257690 Ca\n0.750000 0.282568 0.591043 Ca\n0.750000 0.282600 0.924372 Ca\n0.750000 0.782512 0.242305 Ca\n0.750000 0.781445 0.575436 Er\n0.750000 0.781465 0.908767 Er\n0.250000 0.717964 0.075433 Er\n0.250000 0.718044 0.408772 Er\n0.250000 0.718004 0.742090 Er\n0.250000 0.217946 0.091215 Er\n0.250000 0.218017 0.424541 Er\n0.250000 0.217963 0.757871 Er\n0.750000 0.377396 0.067159 Sn\n0.750000 0.377526 0.400496 Sn\n0.750000 0.377401 0.733833 Sn\n0.750000 0.877516 0.099496 Sn\n0.750000 0.877491 0.432835 Sn\n0.750000 0.877472 0.766163 Sn\n0.250000 0.621291 0.266156 Sn\n0.250000 0.621083 0.599557 Sn\n0.250000 0.621021 0.932889 Sn\n0.250000 0.121219 0.233843 Sn\n0.250000 0.123312 0.567269 Sn\n0.250000 0.123269 0.900603 Sn\n0.750000 0.905746 0.282227 Sn\n0.750000 0.906168 0.615514 Sn\n0.750000 0.906109 0.948834 Sn\n0.750000 0.405782 0.217774 Sn\n0.750000 0.405281 0.551059 Sn\n0.750000 0.405310 0.884402 Sn\n0.250000 0.093510 0.051146 Sn\n0.250000 0.093605 0.384474 Sn\n0.250000 0.093559 0.717819 Sn\n0.250000 0.593723 0.115524 Sn\n0.250000 0.593639 0.448852 Sn\n0.250000 0.593809 0.782172 Sn\n0.750000 0.715887 0.043616 Sn\n0.750000 0.715985 0.376948 Sn\n0.750000 0.715733 0.710274 Sn\n0.750000 0.215951 0.123049 Sn\n0.750000 0.215849 0.456379 Sn\n0.750000 0.215722 0.789715 Sn\n0.250000 0.285098 0.289679 Sn\n0.250000 0.283580 0.622961 Sn\n0.250000 0.283686 0.956296 Sn\n0.250000 0.785201 0.210323 Sn\n0.250000 0.785171 0.543603 Sn\n0.250000 0.785242 0.876940 Sn\n0.750000 0.461183 0.318854 Sn\n0.750000 0.461634 0.652148 Sn\n0.750000 0.461622 0.985489 Sn\n0.750000 0.961158 0.181134 Sn\n0.750000 0.962356 0.514479 Sn\n0.750000 0.962409 0.847812 Sn\n0.250000 0.537528 0.014545 Sn\n0.250000 0.537641 0.347879 Sn\n0.250000 0.537537 0.681214 Sn\n0.250000 0.037612 0.152123 Sn\n0.250000 0.037431 0.485468 Sn\n0.250000 0.037383 0.818802 Sn\n0.750000 0.036324 0.318763 Sn\n0.750000 0.036328 0.652147 Sn\n0.750000 0.036315 0.985474 Sn\n0.750000 0.536385 0.181240 Sn\n0.750000 0.535966 0.514501 Sn\n0.750000 0.535975 0.847832 Sn\n0.250000 0.963792 0.014437 Sn\n0.250000 0.963778 0.347747 Sn\n0.250000 0.963827 0.681102 Sn\n0.250000 0.463773 0.152252 Sn\n0.250000 0.463769 0.485577 Sn\n0.250000 0.463819 0.818908 Sn\n0.750000 0.536736 0.285679 Pt\n0.750000 0.536526 0.618940 Pt\n0.750000 0.536404 0.952274 Pt\n0.750000 0.036623 0.214327 Pt\n0.750000 0.029699 0.548201 Pt\n0.750000 0.029744 0.881530 Pt\n0.250000 0.469618 0.048349 Pt\n0.250000 0.469809 0.381693 Pt\n0.250000 0.469692 0.715020 Pt\n0.250000 0.969862 0.118308 Pt\n0.250000 0.969877 0.451655 Pt\n0.250000 0.969964 0.784992 Pt\n0.750000 0.758487 0.009288 Pt\n0.750000 0.758154 0.342663 Pt\n0.750000 0.758432 0.675952 Pt\n0.750000 0.258063 0.157337 Pt\n0.750000 0.258350 0.490726 Pt\n0.750000 0.258250 0.824062 Pt\n0.250000 0.243172 0.324268 Pt\n0.250000 0.242955 0.657542 Pt\n0.250000 0.242936 0.990879 Pt\n0.250000 0.743183 0.175728 Pt\n0.250000 0.742698 0.509151 Pt\n0.250000 0.742666 0.842489 Pt\n0.750000 0.994923 0.067458 Pt\n0.750000 0.994912 0.400810 Pt\n0.750000 0.994910 0.734139 Pt\n0.750000 0.494845 0.099203 Pt\n0.750000 0.494779 0.432557 Pt\n0.750000 0.494711 0.765890 Pt\n0.250000 0.999567 0.266393 Pt\n0.250000 0.996708 0.599308 Pt\n0.250000 0.996780 0.932641 Pt\n0.250000 0.499595 0.233611 Pt\n0.250000 0.508407 0.567109 Pt\n0.250000 0.508411 0.900439 Pt\n",
"nsites": 120,
"nelements": 4,
"elements": [
"Ca",
"Er",
"Sn",
"Pt"
],
"chemical_system": "Ca-Er-Pt-Sn",
"density": 9.981496970199554,
"density_atomic": 0.044733163553928354,
"volume": 2682.573519651326,
"volume_molar": 13.462362778657427,
"formula_full": "Ca16 Er8 Sn60 Pt36",
"formula_reduced": "Ca4Er2(Sn5Pt3)3",
"formula_anonymous": "A2B4C9D15",
"energy": -617.90021309,
"energy_per_atom": -5.149168442416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -617.90021309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0161671,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.933000Z",
"spacegroup": 6
},
{
"id": "mp-1191016",
"created_at": "2022-09-04T14:42:10.527955Z",
"structure_string": "Tm6 B14 W2\n1.0\n1.715829 -7.901919 0.000000\n1.715829 7.901919 0.000000\n0.000000 0.000000 9.402498\nTm B W\n6 14 2\ndirect\n0.892846 0.107154 0.440209 Tm\n0.107154 0.892846 0.559791 Tm\n0.892846 0.107154 0.059791 Tm\n0.107154 0.892846 0.940209 Tm\n0.243740 0.756260 0.250000 Tm\n0.756260 0.243740 0.750000 Tm\n0.727624 0.272376 0.467269 B\n0.272376 0.727624 0.532731 B\n0.727624 0.272376 0.032731 B\n0.272376 0.727624 0.967269 B\n0.634914 0.365086 0.146124 B\n0.365086 0.634914 0.853876 B\n0.634914 0.365086 0.353876 B\n0.365086 0.634914 0.646124 B\n0.518872 0.481128 0.091147 B\n0.481128 0.518872 0.908853 B\n0.518872 0.481128 0.408853 B\n0.481128 0.518872 0.591147 B\n0.452972 0.547028 0.250000 B\n0.547028 0.452972 0.750000 B\n0.052598 0.947402 0.250000 W\n0.947402 0.052598 0.750000 W\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tm",
"B",
"W"
],
"chemical_system": "B-Tm-W",
"density": 9.98180820766565,
"density_atomic": 0.08628650096739025,
"volume": 254.96456286151098,
"volume_molar": 6.979238574381307,
"formula_full": "Tm6 B14 W2",
"formula_reduced": "Tm3B7W",
"formula_anonymous": "AB3C7",
"energy": -160.39401239,
"energy_per_atom": -7.290636926818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.39401239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013438,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.267000Z",
"spacegroup": 63
},
{
"id": "mp-1101109",
"created_at": "2022-09-04T14:44:49.763178Z",
"structure_string": "Ti4 As8 W6\n1.0\n3.063883 0.049164 1.385500\n-1.066701 9.703623 10.180533\n-0.936376 0.058426 10.234977\nTi As W\n4 8 6\ndirect\n0.312332 0.375897 0.311789 Ti\n0.376888 0.190245 0.933033 Ti\n0.623112 0.809755 0.066967 Ti\n0.687668 0.624103 0.688211 Ti\n0.059438 0.284617 0.655724 As\n0.054589 0.785437 0.660174 As\n0.280944 0.441538 0.777404 As\n0.717838 0.053943 0.228096 As\n0.282162 0.946057 0.771904 As\n0.719056 0.558462 0.222596 As\n0.945411 0.214563 0.339826 As\n0.940562 0.715383 0.344276 As\n0.000000 0.000000 0.000000 W\n0.626648 0.300465 0.073095 W\n0.302086 0.872492 0.324899 W\n0.697914 0.127508 0.675101 W\n0.373352 0.699535 0.926905 W\n0.000000 0.500000 0.000000 W\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"As",
"W"
],
"chemical_system": "As-Ti-W",
"density": 9.982361214597088,
"density_atomic": 0.0571352388545451,
"volume": 315.0420014139506,
"volume_molar": 10.54015154348294,
"formula_full": "Ti4 As8 W6",
"formula_reduced": "Ti2As4W3",
"formula_anonymous": "A2B3C4",
"energy": -154.27795741,
"energy_per_atom": -8.570997633888888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.27795741,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003033,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.430000Z",
"spacegroup": 84
},
{
"id": "mp-570759",
"created_at": "2022-09-04T14:48:28.573904Z",
"structure_string": "Tb8 Bi6\n1.0\n-4.717839 4.717839 4.717839\n4.717839 -4.717839 4.717839\n4.717839 4.717839 -4.717839\nTb Bi\n8 6\ndirect\n0.500000 0.000000 0.352893 Tb\n0.500000 0.000000 0.852893 Tb\n0.647107 0.647107 0.647107 Tb\n0.000000 0.352893 0.500000 Tb\n0.147107 0.147107 0.147107 Tb\n0.852893 0.500000 0.000000 Tb\n0.000000 0.852893 0.500000 Tb\n0.352893 0.500000 0.000000 Tb\n0.125000 0.750000 0.875000 Bi\n0.875000 0.125000 0.750000 Bi\n0.625000 0.375000 0.250000 Bi\n0.375000 0.250000 0.625000 Bi\n0.750000 0.875000 0.125000 Bi\n0.250000 0.625000 0.375000 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tb",
"Bi"
],
"chemical_system": "Bi-Tb",
"density": 9.983209641181181,
"density_atomic": 0.03333025956956538,
"volume": 420.0387329951585,
"volume_molar": 18.068088391063576,
"formula_full": "Tb8 Bi6",
"formula_reduced": "Tb4Bi3",
"formula_anonymous": "A3B4",
"energy": -70.84549003,
"energy_per_atom": -5.060392145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.84549003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1512081,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:44.089000Z",
"spacegroup": 220
},
{
"id": "mp-1184648",
"created_at": "2022-09-04T14:42:07.335501Z",
"structure_string": "Hf1 Zr1 Fe2\n1.0\n0.000000 3.165493 3.165493\n3.165493 0.000000 3.165493\n3.165493 3.165493 0.000000\nHf Zr Fe\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Zr",
"Fe"
],
"chemical_system": "Fe-Hf-Zr",
"density": 9.983441392790539,
"density_atomic": 0.06305302446473748,
"volume": 63.43866981729016,
"volume_molar": 9.55091498167212,
"formula_full": "Hf1 Zr1 Fe2",
"formula_reduced": "HfZrFe2",
"formula_anonymous": "ABC2",
"energy": -36.46523143,
"energy_per_atom": -9.1163078575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.46523143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0431177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.231000Z",
"spacegroup": 225
},
{
"id": "mp-1185462",
"created_at": "2022-09-04T14:47:35.390778Z",
"structure_string": "Li1 Th1 Rh2\n1.0\n0.000000 3.331927 3.331927\n3.331927 0.000000 3.331927\n3.331927 3.331927 0.000000\nLi Th Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Th",
"Rh"
],
"chemical_system": "Li-Rh-Th",
"density": 9.983613087979831,
"density_atomic": 0.05406840551245227,
"volume": 73.98035806842458,
"volume_molar": 11.138003244081363,
"formula_full": "Li1 Th1 Rh2",
"formula_reduced": "LiThRh2",
"formula_anonymous": "ABC2",
"energy": -26.55686968,
"energy_per_atom": -6.63921742,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.55686968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.173000Z",
"spacegroup": 225
}
]
}