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_reduced&page=1738",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=1736",
"results": [
{
"id": "mp-1187354",
"created_at": "2022-09-04T14:46:16.082352Z",
"structure_string": "Tb3 Ce1\n1.0\n-2.499733 2.499733 4.950392\n2.499733 -2.499733 4.950392\n2.499733 2.499733 -4.950392\nTb Ce\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Ce"
],
"chemical_system": "Ce-Tb",
"density": 8.278877229156985,
"density_atomic": 0.032327577588961626,
"volume": 123.73336631835399,
"volume_molar": 18.628493716944266,
"formula_full": "Tb3 Ce1",
"formula_reduced": "Tb3Ce",
"formula_anonymous": "AB3",
"energy": -19.49585306,
"energy_per_atom": -4.873963265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.49585306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8906366,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.129000Z",
"spacegroup": 139
},
{
"id": "mp-1187297",
"created_at": "2022-09-04T14:43:55.280318Z",
"structure_string": "Tb6 Ce2\n1.0\n3.578966 -6.198951 0.000000\n3.578966 6.198951 0.000000\n0.000000 0.000000 5.741225\nTb Ce\n6 2\ndirect\n0.167218 0.334435 0.250000 Tb\n0.665565 0.832782 0.250000 Tb\n0.167218 0.832782 0.250000 Tb\n0.832782 0.665565 0.750000 Tb\n0.334435 0.167218 0.750000 Tb\n0.832782 0.167218 0.750000 Tb\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Ce"
],
"chemical_system": "Ce-Tb",
"density": 8.042256631933263,
"density_atomic": 0.03140361525636944,
"volume": 254.7477395417841,
"volume_molar": 19.176584322655525,
"formula_full": "Tb6 Ce2",
"formula_reduced": "Tb3Ce",
"formula_anonymous": "AB3",
"energy": -39.06932238,
"energy_per_atom": -4.8836652975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.06932238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7243657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.040000Z",
"spacegroup": 194
},
{
"id": "mp-1217716",
"created_at": "2022-09-04T14:40:55.884400Z",
"structure_string": "Tb3 Ce1\n1.0\n1.777917 -3.079442 0.000000\n1.777917 3.079442 0.000000\n0.000000 0.000000 11.591720\nTb Ce\n3 1\ndirect\n0.666667 0.333333 0.500000 Tb\n0.333333 0.666667 0.249892 Tb\n0.333333 0.666667 0.750108 Tb\n0.666667 0.333333 0.000000 Ce\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Ce"
],
"chemical_system": "Ce-Tb",
"density": 8.07043384378148,
"density_atomic": 0.03151364237442547,
"volume": 126.92915507748967,
"volume_molar": 19.109630960612787,
"formula_full": "Tb3 Ce1",
"formula_reduced": "Tb3Ce",
"formula_anonymous": "AB3",
"energy": -19.58050306,
"energy_per_atom": -4.895125765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.58050306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7833792,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.512000Z",
"spacegroup": 187
},
{
"id": "mp-557110",
"created_at": "2022-09-04T14:41:59.585324Z",
"structure_string": "Tb6 B2 W2 O18\n1.0\n4.298875 -7.445869 0.000000\n4.298875 7.445869 0.000000\n0.000000 0.000000 5.424465\nTb B W O\n6 2 2 18\ndirect\n0.079398 0.723440 0.700529 Tb\n0.644042 0.920602 0.700529 Tb\n0.920602 0.276560 0.200529 Tb\n0.276560 0.355958 0.700529 Tb\n0.723440 0.644042 0.200529 Tb\n0.355958 0.079398 0.200529 Tb\n0.000000 0.000000 0.871616 B\n0.000000 0.000000 0.371616 B\n0.666667 0.333333 0.743683 W\n0.333333 0.666667 0.243683 W\n0.260179 0.797984 0.035187 O\n0.739821 0.202016 0.535187 O\n0.124466 0.180917 0.362655 O\n0.517478 0.386643 0.974264 O\n0.056451 0.875534 0.362655 O\n0.869165 0.482522 0.974264 O\n0.819083 0.943549 0.362655 O\n0.130835 0.517478 0.474264 O\n0.797984 0.537805 0.535187 O\n0.180917 0.056451 0.862655 O\n0.943549 0.124466 0.862655 O\n0.875534 0.819083 0.862655 O\n0.482522 0.613357 0.474264 O\n0.202016 0.462195 0.035187 O\n0.462195 0.260179 0.535187 O\n0.613357 0.130835 0.974264 O\n0.537805 0.739821 0.035187 O\n0.386643 0.869165 0.474264 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Tb",
"B",
"W",
"O"
],
"chemical_system": "B-O-Tb-W",
"density": 7.7983768073321835,
"density_atomic": 0.0806307902044353,
"volume": 347.26188257621453,
"volume_molar": 7.468785490916269,
"formula_full": "Tb6 B2 W2 O18",
"formula_reduced": "Tb3BWO9",
"formula_anonymous": "ABC3D9",
"energy": -250.86259146,
"energy_per_atom": -8.95937826642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.62059146,
"band_gap": 3.8011,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006978,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.378000Z",
"spacegroup": 173
},
{
"id": "mp-1187275",
"created_at": "2022-09-04T14:39:11.292879Z",
"structure_string": "Tb3 Bi1\n1.0\n-2.369439 2.369439 5.307534\n2.369439 -2.369439 5.307534\n2.369439 2.369439 -5.307534\nTb Bi\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Bi"
],
"chemical_system": "Bi-Tb",
"density": 9.55377826261383,
"density_atomic": 0.03355955164966881,
"volume": 119.19110367612659,
"volume_molar": 17.944640091934694,
"formula_full": "Tb3 Bi1",
"formula_reduced": "Tb3Bi",
"formula_anonymous": "AB3",
"energy": -19.16745768,
"energy_per_atom": -4.79186442,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.16745768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.453000Z",
"spacegroup": 139
},
{
"id": "mp-1208487",
"created_at": "2022-09-04T14:42:06.219346Z",
"structure_string": "Tb12 B4 Cl12\n1.0\n-5.487498 5.487498 5.487498\n5.487498 -5.487498 5.487498\n5.487498 5.487498 -5.487498\nTb B Cl\n12 4 12\ndirect\n0.469861 0.484930 0.234930 Tb\n0.750000 0.234930 0.265070 Tb\n0.750000 0.015070 0.484930 Tb\n0.234930 0.469861 0.484930 Tb\n0.265070 0.750000 0.234930 Tb\n0.030139 0.265070 0.015070 Tb\n0.015070 0.030139 0.265070 Tb\n0.484930 0.750000 0.015070 Tb\n0.484930 0.234930 0.469861 Tb\n0.015070 0.484930 0.750000 Tb\n0.265070 0.015070 0.030139 Tb\n0.234930 0.265070 0.750000 Tb\n0.250000 0.250000 0.250000 B\n0.500000 0.000000 0.250000 B\n0.000000 0.250000 0.500000 B\n0.250000 0.500000 0.000000 B\n0.250000 0.755424 0.744576 Cl\n0.510848 0.505424 0.755424 Cl\n0.989152 0.744576 0.994576 Cl\n0.744576 0.250000 0.755424 Cl\n0.994576 0.989152 0.744576 Cl\n0.250000 0.994576 0.505424 Cl\n0.755424 0.510848 0.505424 Cl\n0.505424 0.250000 0.994576 Cl\n0.755424 0.744576 0.250000 Cl\n0.744576 0.994576 0.989152 Cl\n0.994576 0.505424 0.250000 Cl\n0.505424 0.755424 0.510848 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"B",
"Cl"
],
"chemical_system": "B-Cl-Tb",
"density": 5.968606822347519,
"density_atomic": 0.04236184971073743,
"volume": 660.9720819840136,
"volume_molar": 14.215953271921393,
"formula_full": "Tb12 B4 Cl12",
"formula_reduced": "Tb3BCl3",
"formula_anonymous": "AB3C3",
"energy": -154.10473396999998,
"energy_per_atom": -5.503740498928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.73673397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.155000Z",
"spacegroup": 214
},
{
"id": "mp-1208486",
"created_at": "2022-09-04T14:45:08.750737Z",
"structure_string": "Tb12 B4 Br12\n1.0\n-5.666527 5.666527 5.666527\n5.666527 -5.666527 5.666527\n5.666527 5.666527 -5.666527\nTb B Br\n12 4 12\ndirect\n0.460826 0.480413 0.230413 Tb\n0.750000 0.230413 0.269587 Tb\n0.750000 0.019587 0.480413 Tb\n0.230413 0.460826 0.480413 Tb\n0.269587 0.750000 0.230413 Tb\n0.039174 0.269587 0.019587 Tb\n0.019587 0.039174 0.269587 Tb\n0.480413 0.750000 0.019587 Tb\n0.480413 0.230413 0.460826 Tb\n0.019587 0.480413 0.750000 Tb\n0.269587 0.019587 0.039174 Tb\n0.230413 0.269587 0.750000 Tb\n0.250000 0.250000 0.250000 B\n0.500000 0.000000 0.250000 B\n0.000000 0.250000 0.500000 B\n0.250000 0.500000 0.000000 B\n0.250000 0.757912 0.742088 Br\n0.515825 0.507912 0.757912 Br\n0.984175 0.742088 0.992088 Br\n0.742088 0.250000 0.757912 Br\n0.992088 0.984175 0.742088 Br\n0.250000 0.992088 0.507912 Br\n0.757912 0.515825 0.507912 Br\n0.507912 0.250000 0.992088 Br\n0.757912 0.742088 0.250000 Br\n0.742088 0.992088 0.984175 Br\n0.992088 0.507912 0.250000 Br\n0.507912 0.757912 0.515825 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"B",
"Br"
],
"chemical_system": "B-Br-Tb",
"density": 6.6376023436169245,
"density_atomic": 0.03847221159602294,
"volume": 727.7980349560797,
"volume_molar": 15.653222183417546,
"formula_full": "Tb12 B4 Br12",
"formula_reduced": "Tb3BBr3",
"formula_anonymous": "AB3C3",
"energy": -144.47546934,
"energy_per_atom": -5.159838190714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.06746934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.699000Z",
"spacegroup": 214
},
{
"id": "mp-1191743",
"created_at": "2022-09-04T14:41:13.459587Z",
"structure_string": "Tb6 B14 W2\n1.0\n1.743180 -8.042223 0.000000\n1.743180 8.042223 0.000000\n0.000000 0.000000 9.525752\nTb B W\n6 14 2\ndirect\n0.893177 0.106823 0.439605 Tb\n0.106823 0.893177 0.560395 Tb\n0.893177 0.106823 0.060395 Tb\n0.106823 0.893177 0.939605 Tb\n0.243386 0.756614 0.250000 Tb\n0.756614 0.243386 0.750000 Tb\n0.727268 0.272732 0.467273 B\n0.272732 0.727268 0.532727 B\n0.727268 0.272732 0.032727 B\n0.272732 0.727268 0.967273 B\n0.634317 0.365683 0.147305 B\n0.365683 0.634317 0.852695 B\n0.634317 0.365683 0.352695 B\n0.365683 0.634317 0.647305 B\n0.519875 0.480125 0.092285 B\n0.480125 0.519875 0.907715 B\n0.519875 0.480125 0.407715 B\n0.480125 0.519875 0.592285 B\n0.456823 0.543177 0.250000 B\n0.543177 0.456823 0.750000 B\n0.053250 0.946750 0.250000 W\n0.946750 0.053250 0.750000 W\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"B",
"W"
],
"chemical_system": "B-Tb-W",
"density": 9.15550242842897,
"density_atomic": 0.08237113851438946,
"volume": 267.0838402477199,
"volume_molar": 7.310984003150556,
"formula_full": "Tb6 B14 W2",
"formula_reduced": "Tb3B7W",
"formula_anonymous": "AB3C7",
"energy": -159.63855858,
"energy_per_atom": -7.256298117272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.63855858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.890000Z",
"spacegroup": 63
},
{
"id": "mp-1208474",
"created_at": "2022-09-04T14:47:38.402865Z",
"structure_string": "Tb6 B14 Mo2\n1.0\n1.747289 -8.038365 0.000000\n1.747289 8.038365 0.000000\n0.000000 0.000000 9.507046\nTb B Mo\n6 14 2\ndirect\n0.257074 0.742926 0.250000 Tb\n0.742926 0.257074 0.750000 Tb\n0.606412 0.393588 0.060234 Tb\n0.393588 0.606412 0.939766 Tb\n0.393588 0.606412 0.560234 Tb\n0.606412 0.393588 0.439766 Tb\n0.980055 0.019945 0.092534 B\n0.019945 0.980055 0.907466 B\n0.019945 0.980055 0.592534 B\n0.980055 0.019945 0.407466 B\n0.772904 0.227096 0.032481 B\n0.227096 0.772904 0.967519 B\n0.227096 0.772904 0.532481 B\n0.772904 0.227096 0.467519 B\n0.865699 0.134301 0.147499 B\n0.134301 0.865699 0.852501 B\n0.134301 0.865699 0.647499 B\n0.865699 0.134301 0.352501 B\n0.042677 0.957323 0.250000 B\n0.957323 0.042677 0.750000 B\n0.446577 0.553423 0.250000 Mo\n0.553423 0.446577 0.750000 Mo\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"B",
"Mo"
],
"chemical_system": "B-Mo-Tb",
"density": 8.063236312689815,
"density_atomic": 0.08237864128900861,
"volume": 267.05951513351016,
"volume_molar": 7.3103181428697654,
"formula_full": "Tb6 B14 Mo2",
"formula_reduced": "Tb3B7Mo",
"formula_anonymous": "AB3C7",
"energy": -155.45445854,
"energy_per_atom": -7.066111751818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.45445854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.062000Z",
"spacegroup": 63
},
{
"id": "mp-1187266",
"created_at": "2022-09-04T14:39:24.652855Z",
"structure_string": "Tb3 Au1\n1.0\n4.742563 0.000000 0.000000\n0.000000 4.742563 0.000000\n0.000000 0.000000 4.742563\nTb Au\n3 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Au"
],
"chemical_system": "Au-Tb",
"density": 10.488268376174219,
"density_atomic": 0.03749908450532808,
"volume": 106.66927080397542,
"volume_molar": 16.05943408870246,
"formula_full": "Tb3 Au1",
"formula_reduced": "Tb3Au",
"formula_anonymous": "AB3",
"energy": -18.16227178,
"energy_per_atom": -4.540567945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.16227178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.097000Z",
"spacegroup": 221
},
{
"id": "mp-1191846",
"created_at": "2022-09-04T14:40:39.322537Z",
"structure_string": "Tb6 Al2 Ni16\n1.0\n2.538533 -4.396869 0.000000\n2.538533 4.396869 0.000000\n0.000000 0.000000 16.035324\nTb Al Ni\n6 2 16\ndirect\n0.333333 0.666667 0.955180 Tb\n0.666667 0.333333 0.044820 Tb\n0.666667 0.333333 0.455180 Tb\n0.333333 0.666667 0.544820 Tb\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.168870 0.831130 0.374101 Ni\n0.168870 0.337741 0.374101 Ni\n0.662259 0.831130 0.374101 Ni\n0.831130 0.168870 0.625899 Ni\n0.831130 0.662259 0.625899 Ni\n0.337741 0.168870 0.625899 Ni\n0.831130 0.168870 0.874101 Ni\n0.831130 0.662259 0.874101 Ni\n0.337741 0.168870 0.874101 Ni\n0.168870 0.831130 0.125899 Ni\n0.168870 0.337741 0.125899 Ni\n0.662259 0.831130 0.125899 Ni\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Tb",
"density": 9.030127413688895,
"density_atomic": 0.06704666290153552,
"volume": 357.95965021027683,
"volume_molar": 8.982014166527712,
"formula_full": "Tb6 Al2 Ni16",
"formula_reduced": "Tb3AlNi8",
"formula_anonymous": "AB3C8",
"energy": -138.39379567,
"energy_per_atom": -5.766408152916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.39379567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010589,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.830000Z",
"spacegroup": 194
},
{
"id": "mp-1191827",
"created_at": "2022-09-04T14:45:17.489091Z",
"structure_string": "Tb6 Al4 Ni12\n1.0\n-4.472685 4.472685 4.472685\n4.472685 -4.472685 4.472685\n4.472685 4.472685 -4.472685\nTb Al Ni\n6 4 12\ndirect\n0.705940 0.705940 0.000000 Tb\n0.294060 0.000000 0.294060 Tb\n0.000000 0.294060 0.294060 Tb\n0.294060 0.294060 0.000000 Tb\n0.705940 0.000000 0.705940 Tb\n0.000000 0.705940 0.705940 Tb\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.333337 0.333337 0.666673 Ni\n0.666663 0.000000 0.333337 Ni\n0.000000 0.666663 0.333337 Ni\n0.666663 0.333337 0.000000 Ni\n0.333337 0.666673 0.333337 Ni\n0.000000 0.333337 0.666663 Ni\n0.333337 0.666663 0.000000 Ni\n0.333337 0.000000 0.666663 Ni\n0.666673 0.333337 0.333337 Ni\n0.666663 0.666663 0.333327 Ni\n0.666663 0.333327 0.666663 Ni\n0.333327 0.666663 0.666663 Ni\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Tb",
"density": 8.192669721760664,
"density_atomic": 0.061469226834864,
"volume": 357.90266337825614,
"volume_molar": 9.797000987467072,
"formula_full": "Tb6 Al4 Ni12",
"formula_reduced": "Tb3(AlNi3)2",
"formula_anonymous": "A2B3C6",
"energy": -124.31441625,
"energy_per_atom": -5.650655284090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.31441625,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.025537,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.993000Z",
"spacegroup": 229
}
]
}