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=formula_full&page=12168",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=12166",
"results": [
{
"id": "mp-1215270",
"created_at": "2022-09-04T14:43:59.121113Z",
"structure_string": "Zr4 Ti4 Au4\n1.0\n2.798637 -4.703050 0.000000\n2.798637 4.703050 0.000000\n0.000000 0.000000 8.764112\nZr Ti Au\n4 4 4\ndirect\n0.677026 0.322974 0.312304 Zr\n0.337464 0.662536 0.183036 Zr\n0.337464 0.662536 0.816964 Zr\n0.677026 0.322974 0.687696 Zr\n0.159082 0.840918 0.500000 Ti\n0.346477 0.173050 0.000000 Ti\n0.826950 0.653523 0.000000 Ti\n0.819695 0.180305 0.000000 Ti\n0.006167 0.993833 0.243002 Au\n0.006167 0.993833 0.756998 Au\n0.645714 0.839209 0.500000 Au\n0.160791 0.354286 0.500000 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Au"
],
"chemical_system": "Au-Ti-Zr",
"density": 9.67517186084984,
"density_atomic": 0.05201363000102291,
"volume": 230.70875844973722,
"volume_molar": 11.578005149576306,
"formula_full": "Zr4 Ti4 Au4",
"formula_reduced": "ZrTiAu",
"formula_anonymous": "ABC",
"energy": -82.718518,
"energy_per_atom": -6.893209833333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.718518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.508000Z",
"spacegroup": 38
},
{
"id": "mp-1197943",
"created_at": "2022-09-04T14:47:16.027656Z",
"structure_string": "Zr4 Ti4 Cu4 O20\n1.0\n3.619457 0.000000 0.000000\n0.000000 6.797504 0.000000\n0.000000 0.000000 14.829893\nZr Ti Cu O\n4 4 4 20\ndirect\n0.924321 0.837695 0.904205 Zr\n0.575679 0.162305 0.404205 Zr\n0.424321 0.662305 0.095795 Zr\n0.075679 0.337695 0.595795 Zr\n0.408498 0.145835 0.075096 Ti\n0.091502 0.854165 0.575096 Ti\n0.908498 0.354165 0.924904 Ti\n0.591502 0.645835 0.424904 Ti\n0.500849 0.099178 0.754128 Cu\n0.999151 0.900822 0.254128 Cu\n0.000849 0.400822 0.245872 Cu\n0.499151 0.599178 0.745872 Cu\n0.429922 0.844813 0.809128 O\n0.070078 0.155187 0.309128 O\n0.929922 0.655187 0.190872 O\n0.570078 0.344813 0.690872 O\n0.888989 0.135219 0.850857 O\n0.611011 0.864781 0.350857 O\n0.388989 0.364781 0.149143 O\n0.111011 0.635219 0.649143 O\n0.422617 0.882027 0.982940 O\n0.077383 0.117973 0.482940 O\n0.922617 0.617973 0.017060 O\n0.577383 0.382027 0.517060 O\n0.908918 0.147645 0.036444 O\n0.591082 0.852355 0.536444 O\n0.408918 0.352355 0.963556 O\n0.091082 0.647645 0.463556 O\n0.391100 0.939911 0.158759 O\n0.108900 0.060089 0.658759 O\n0.891100 0.560089 0.841241 O\n0.608900 0.439911 0.341241 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti-Zr",
"density": 5.145203814093412,
"density_atomic": 0.08770393262825335,
"volume": 364.8639124956567,
"volume_molar": 6.866443247791149,
"formula_full": "Zr4 Ti4 Cu4 O20",
"formula_reduced": "ZrTiCuO5",
"formula_anonymous": "ABCD5",
"energy": -274.86951304,
"energy_per_atom": -8.5896722825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -261.12951304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0061503,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.529000Z",
"spacegroup": 19
},
{
"id": "mp-1215337",
"created_at": "2022-09-04T14:43:12.296070Z",
"structure_string": "Zr4 Ti4 Ni4\n1.0\n-2.588957 -4.526273 0.000000\n-5.230799 0.030394 0.000000\n0.000000 0.000000 -8.410774\nZr Ti Ni\n4 4 4\ndirect\n0.322058 0.321344 0.569477 Zr\n0.654722 0.655319 0.458008 Zr\n0.654722 0.655319 0.041992 Zr\n0.322058 0.321344 0.930523 Zr\n0.860769 0.860618 0.750000 Ti\n0.157242 0.661733 0.250000 Ti\n0.662416 0.156115 0.250000 Ti\n0.167666 0.169869 0.250000 Ti\n0.000705 0.000914 0.501229 Ni\n0.000705 0.000914 0.998771 Ni\n0.841060 0.355375 0.750000 Ni\n0.355878 0.841135 0.750000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Ni"
],
"chemical_system": "Ni-Ti-Zr",
"density": 6.5752969500308005,
"density_atomic": 0.060061405933281145,
"volume": 199.7955228242597,
"volume_molar": 10.026639680545703,
"formula_full": "Zr4 Ti4 Ni4",
"formula_reduced": "ZrTiNi",
"formula_anonymous": "ABC",
"energy": -91.79541633,
"energy_per_atom": -7.6496180275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.79541633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2138012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.144000Z",
"spacegroup": 38
},
{
"id": "mp-753891",
"created_at": "2022-09-04T14:40:14.586358Z",
"structure_string": "Zr4 Ti4 O16\n1.0\n4.853019 0.000000 0.000000\n-0.009276 5.664431 0.000000\n-0.307473 -0.059852 10.185907\nZr Ti O\n4 4 16\ndirect\n0.004078 0.699589 0.873629 Zr\n0.992005 0.299980 0.117960 Zr\n0.998358 0.694313 0.376723 Zr\n0.491574 0.187499 0.382821 Zr\n0.999480 0.308492 0.630396 Ti\n0.499967 0.178508 0.869607 Ti\n0.501264 0.823036 0.123689 Ti\n0.503156 0.809606 0.627087 Ti\n0.234757 0.615940 0.044284 O\n0.249394 0.606281 0.545839 O\n0.210688 0.399387 0.288866 O\n0.232359 0.377763 0.789343 O\n0.307255 0.889105 0.783799 O\n0.269049 0.899370 0.274324 O\n0.244623 0.102784 0.544615 O\n0.285432 0.106853 0.023613 O\n0.701027 0.885114 0.471257 O\n0.728825 0.904580 0.972027 O\n0.743964 0.115689 0.714542 O\n0.724848 0.094453 0.219046 O\n0.745802 0.608186 0.206096 O\n0.796462 0.387708 0.469984 O\n0.760461 0.392076 0.948356 O\n0.775172 0.613685 0.702098 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Ti-Zr",
"density": 4.817554599524885,
"density_atomic": 0.08571232041783797,
"volume": 280.0064201155993,
"volume_molar": 7.025991981832643,
"formula_full": "Zr4 Ti4 O16",
"formula_reduced": "ZrTiO4",
"formula_anonymous": "ABC4",
"energy": -231.67604156,
"energy_per_atom": -9.653168398333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.68404156,
"band_gap": 2.464,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.05e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.001000Z",
"spacegroup": 1
},
{
"id": "mp-1215240",
"created_at": "2022-09-04T14:47:46.885192Z",
"structure_string": "Zr4 Ti4 Pd4\n1.0\n-2.629860 -4.681399 0.000000\n-2.741298 4.745630 0.000000\n0.000000 0.000000 -8.698884\nZr Ti Pd\n4 4 4\ndirect\n0.649619 0.324797 0.563460 Zr\n0.321644 0.660822 0.440516 Zr\n0.321644 0.660822 0.059484 Zr\n0.649619 0.324797 0.936540 Zr\n0.693764 0.846873 0.750000 Ti\n0.820996 0.652410 0.250000 Ti\n0.820951 0.168557 0.250000 Ti\n0.345969 0.172976 0.250000 Ti\n0.988904 0.994489 0.495850 Pd\n0.988904 0.994489 0.004150 Pd\n0.198972 0.356280 0.750000 Pd\n0.199015 0.842688 0.750000 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Pd"
],
"chemical_system": "Pd-Ti-Zr",
"density": 7.40568314360593,
"density_atomic": 0.054496213607740186,
"volume": 220.1987845683213,
"volume_molar": 11.050567298761223,
"formula_full": "Zr4 Ti4 Pd4",
"formula_reduced": "ZrTiPd",
"formula_anonymous": "ABC",
"energy": -91.58690511,
"energy_per_atom": -7.6322420925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.58690511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8300586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.479000Z",
"spacegroup": 38
},
{
"id": "mp-1215259",
"created_at": "2022-09-04T14:46:17.922650Z",
"structure_string": "Zr4 Ti4 Pt4\n1.0\n-2.616109 -4.659315 0.000000\n-2.733750 4.727152 0.000000\n0.000000 0.000000 -8.752252\nZr Ti Pt\n4 4 4\ndirect\n0.649745 0.324819 0.563876 Zr\n0.318042 0.658999 0.448894 Zr\n0.318042 0.658999 0.051106 Zr\n0.649745 0.324819 0.936124 Zr\n0.699068 0.849577 0.750000 Ti\n0.818709 0.653028 0.250000 Ti\n0.818487 0.165387 0.250000 Ti\n0.338551 0.169363 0.250000 Ti\n0.989446 0.994837 0.491289 Pt\n0.989446 0.994837 0.008711 Pt\n0.205398 0.356883 0.750000 Pt\n0.205322 0.848451 0.750000 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Pt"
],
"chemical_system": "Pt-Ti-Zr",
"density": 10.10224176733256,
"density_atomic": 0.054615505590291186,
"volume": 219.71782317681593,
"volume_molar": 11.026430488763133,
"formula_full": "Zr4 Ti4 Pt4",
"formula_reduced": "ZrTiPt",
"formula_anonymous": "ABC",
"energy": -98.47605679,
"energy_per_atom": -8.206338065833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.47605679,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0831334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.972000Z",
"spacegroup": 38
},
{
"id": "mp-1215246",
"created_at": "2022-09-04T14:46:58.939058Z",
"structure_string": "Zr4 Ti4 Rh4\n1.0\n-2.522196 -4.655237 0.000000\n-2.770040 4.798394 0.000000\n0.000000 0.000000 -8.555935\nZr Ti Rh\n4 4 4\ndirect\n0.656936 0.328478 0.566173 Zr\n0.329043 0.664512 0.451448 Zr\n0.329043 0.664512 0.048552 Zr\n0.656936 0.328478 0.933827 Zr\n0.688826 0.844387 0.750000 Ti\n0.826230 0.652135 0.250000 Ti\n0.826141 0.174052 0.250000 Ti\n0.331149 0.165543 0.250000 Ti\n0.988410 0.994233 0.491726 Rh\n0.988410 0.994233 0.008274 Rh\n0.189440 0.350080 0.750000 Rh\n0.189436 0.839355 0.750000 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Rh"
],
"chemical_system": "Rh-Ti-Zr",
"density": 7.515379974475256,
"density_atomic": 0.05610660826104794,
"volume": 213.87854963835,
"volume_molar": 10.733389428889923,
"formula_full": "Zr4 Ti4 Rh4",
"formula_reduced": "ZrTiRh",
"formula_anonymous": "ABC",
"energy": -101.5758833,
"energy_per_atom": -8.464656941666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.5758833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.212000Z",
"spacegroup": 38
},
{
"id": "mp-1215829",
"created_at": "2022-09-04T14:40:23.852383Z",
"structure_string": "Zr4 Ti6 Ga6\n1.0\n0.000000 0.000000 -5.582673\n-7.840724 0.002674 0.000000\n-3.922677 6.788929 0.000000\nZr Ti Ga\n4 6 6\ndirect\n0.500000 0.333350 0.333331 Zr\n0.500000 0.666669 0.666650 Zr\n0.000000 0.666650 0.666669 Zr\n0.000000 0.333331 0.333350 Zr\n0.749998 0.234259 0.765741 Ti\n0.750001 0.765323 0.999943 Ti\n0.750001 0.000057 0.234677 Ti\n0.249998 0.765741 0.234259 Ti\n0.250001 0.234677 0.000057 Ti\n0.250001 0.999943 0.765323 Ti\n0.749990 0.616447 0.383553 Ga\n0.750005 0.383576 0.000100 Ga\n0.750005 0.999900 0.616424 Ga\n0.249990 0.383553 0.616447 Ga\n0.250005 0.616424 0.999900 Ga\n0.250005 0.000100 0.383576 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti-Zr",
"density": 5.982679924561277,
"density_atomic": 0.05385250965428651,
"volume": 297.10778759827855,
"volume_molar": 11.18265573630635,
"formula_full": "Zr4 Ti6 Ga6",
"formula_reduced": "Zr2(TiGa)3",
"formula_anonymous": "A2B3C3",
"energy": -105.06804213,
"energy_per_atom": -6.566752633125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.06804213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3080209,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.740000Z",
"spacegroup": 193
},
{
"id": "mp-1215754",
"created_at": "2022-09-04T14:46:13.590447Z",
"structure_string": "Zr4 Ti6 Si6\n1.0\n0.000000 0.000000 -5.466895\n-3.856555 -6.679748 0.000000\n-3.859184 6.681266 0.000000\nZr Ti Si\n4 6 6\ndirect\n0.500000 0.333323 0.666646 Zr\n0.500000 0.666677 0.333354 Zr\n0.000000 0.666677 0.333354 Zr\n0.000000 0.333323 0.666646 Zr\n0.749998 0.256357 0.000000 Ti\n0.750002 0.743638 0.743651 Ti\n0.750002 0.999987 0.256349 Ti\n0.249998 0.743643 0.000000 Ti\n0.250002 0.256362 0.256349 Ti\n0.250002 0.000013 0.743651 Ti\n0.750002 0.623531 0.000000 Si\n0.749999 0.376521 0.376510 Si\n0.749999 0.000011 0.623490 Si\n0.250002 0.376469 0.000000 Si\n0.249999 0.623479 0.623490 Si\n0.249999 0.999989 0.376510 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Si"
],
"chemical_system": "Si-Ti-Zr",
"density": 4.83569347580165,
"density_atomic": 0.05677959821363323,
"volume": 281.7913564622279,
"volume_molar": 10.60617008479295,
"formula_full": "Zr4 Ti6 Si6",
"formula_reduced": "Zr2(TiSi)3",
"formula_anonymous": "A2B3C3",
"energy": -123.83626227,
"energy_per_atom": -7.739766391875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.26226227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016665,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.763000Z",
"spacegroup": 193
},
{
"id": "mp-1215790",
"created_at": "2022-09-04T14:41:08.180122Z",
"structure_string": "Zr4 Ti6 Sn6\n1.0\n0.000000 0.000000 -5.706335\n-8.338365 0.002143 0.000000\n-4.171038 7.220165 0.000000\nZr Ti Sn\n4 6 6\ndirect\n0.499999 0.333320 0.333326 Zr\n0.499999 0.666674 0.666680 Zr\n0.999999 0.666680 0.666674 Zr\n0.999999 0.333326 0.333320 Zr\n0.749994 0.259607 0.740393 Ti\n0.750004 0.740497 0.999888 Ti\n0.750004 0.000112 0.259503 Ti\n0.249994 0.740393 0.259607 Ti\n0.250004 0.259503 0.000112 Ti\n0.250004 0.999888 0.740497 Ti\n0.749997 0.623660 0.376340 Sn\n0.750002 0.376466 0.999971 Sn\n0.750002 0.000029 0.623534 Sn\n0.249997 0.376340 0.623660 Sn\n0.250002 0.623534 0.000029 Sn\n0.250002 0.999971 0.376466 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti-Zr",
"density": 6.595635324149055,
"density_atomic": 0.04657996723719747,
"volume": 343.49530386150303,
"volume_molar": 12.928606689080894,
"formula_full": "Zr4 Ti6 Sn6",
"formula_reduced": "Zr2(TiSn)3",
"formula_anonymous": "A2B3C3",
"energy": -110.8015064,
"energy_per_atom": -6.92509415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.8015064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0220941,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.168000Z",
"spacegroup": 193
},
{
"id": "mp-757504",
"created_at": "2022-09-04T14:42:53.832239Z",
"structure_string": "Zr4 Ti8 O24\n1.0\n4.744124 0.000000 0.000000\n0.006023 5.673171 0.000000\n0.237142 0.010950 15.185552\nZr Ti O\n4 8 24\ndirect\n0.004518 0.178611 0.079350 Zr\n0.001721 0.189379 0.751713 Zr\n0.995975 0.810399 0.582737 Zr\n0.501279 0.321386 0.253084 Zr\n0.001076 0.184303 0.418732 Ti\n0.994209 0.821439 0.251365 Ti\n0.000951 0.809590 0.915579 Ti\n0.499302 0.325540 0.581151 Ti\n0.497627 0.678266 0.082134 Ti\n0.506464 0.321988 0.917509 Ti\n0.495553 0.684029 0.414872 Ti\n0.498483 0.674296 0.751665 Ti\n0.200419 0.112106 0.310650 O\n0.237596 0.115581 0.635313 O\n0.245455 0.880075 0.142260 O\n0.241669 0.111015 0.965475 O\n0.228123 0.887003 0.467615 O\n0.228910 0.873810 0.806638 O\n0.268079 0.625936 0.308480 O\n0.254439 0.384355 0.474695 O\n0.300899 0.391920 0.811709 O\n0.276660 0.603560 0.647771 O\n0.266065 0.622033 0.974938 O\n0.286878 0.399031 0.138096 O\n0.709423 0.392795 0.023319 O\n0.744218 0.621674 0.191315 O\n0.722208 0.395266 0.685180 O\n0.734124 0.387095 0.366348 O\n0.692684 0.613677 0.522286 O\n0.745754 0.613737 0.857387 O\n0.786272 0.098554 0.194969 O\n0.775121 0.871289 0.024310 O\n0.765803 0.122375 0.526197 O\n0.760461 0.878088 0.359117 O\n0.760305 0.885881 0.698556 O\n0.771273 0.113917 0.867486 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Ti-Zr",
"density": 4.598466754988622,
"density_atomic": 0.08808257683733742,
"volume": 408.7073890501796,
"volume_molar": 6.836926184756289,
"formula_full": "Zr4 Ti8 O24",
"formula_reduced": "ZrTi2O6",
"formula_anonymous": "AB2C6",
"energy": -344.21224939,
"energy_per_atom": -9.561451371944445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -327.72424939,
"band_gap": 2.273000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.848000Z",
"spacegroup": 1
},
{
"id": "mp-1025524",
"created_at": "2022-09-04T14:39:58.179737Z",
"structure_string": "Zr4 Tl2 C2\n1.0\n1.694876 -2.935611 0.000000\n1.694876 2.935611 0.000000\n0.000000 0.000000 15.154012\nZr Tl C\n4 2 2\ndirect\n0.333333 0.666667 0.581237 Zr\n0.666667 0.333333 0.418763 Zr\n0.666667 0.333333 0.081237 Zr\n0.333333 0.666667 0.918763 Zr\n0.333333 0.666667 0.250000 Tl\n0.666667 0.333333 0.750000 Tl\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Tl",
"C"
],
"chemical_system": "C-Tl-Zr",
"density": 8.783870404555563,
"density_atomic": 0.05305128748939387,
"volume": 150.79747125080382,
"volume_molar": 11.351544976554923,
"formula_full": "Zr4 Tl2 C2",
"formula_reduced": "Zr2TlC",
"formula_anonymous": "ABC2",
"energy": -62.39012787,
"energy_per_atom": -7.79876598375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.39012787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024811,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.362000Z",
"spacegroup": 194
}
]
}