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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=11525",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=11523",
"results": [
{
"id": "mp-1228691",
"created_at": "2022-09-04T14:44:25.289720Z",
"structure_string": "Al4 Ga1 Sb5\n1.0\n-2.204922 3.112457 11.012235\n2.204922 -3.112457 11.012235\n2.204922 3.112457 -11.012235\nAl Ga Sb\n4 1 5\ndirect\n0.399990 0.400019 0.999971 Al\n0.799980 0.800007 0.999974 Al\n0.199967 0.199993 0.999974 Al\n0.599952 0.599981 0.999971 Al\n0.000016 0.000000 0.000016 Ga\n0.750016 0.500000 0.250016 Sb\n0.150038 0.900027 0.250011 Sb\n0.550011 0.299983 0.250028 Sb\n0.950046 0.700017 0.250028 Sb\n0.349984 0.099973 0.250011 Sb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
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],
"chemical_system": "Al-Ga-Sb",
"density": 4.320039267683167,
"density_atomic": 0.03308018633137701,
"volume": 302.29575794483554,
"volume_molar": 18.20467605494688,
"formula_full": "Al4 Ga1 Sb5",
"formula_reduced": "Al4GaSb5",
"formula_anonymous": "AB4C5",
"energy": -41.11233637,
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"updated_at": "2021-11-28T01:36:40.442000Z",
"spacegroup": 44
},
{
"id": "mp-1096345",
"created_at": "2022-09-04T14:44:11.037236Z",
"structure_string": "Al1 Ga1 Ru2\n1.0\n-4.864669 5.088529 7.197656\n4.864669 -5.088529 7.197656\n4.864669 5.088529 -7.197656\nAl Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ga\n0.000000 0.248948 0.248948 Ru\n0.000000 0.751052 0.751052 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ga",
"Ru"
],
"chemical_system": "Al-Ga-Ru",
"density": 0.6963022423123616,
"density_atomic": 0.005612590594162206,
"volume": 712.6833737277218,
"volume_molar": 107.29698984750068,
"formula_full": "Al1 Ga1 Ru2",
"formula_reduced": "AlGaRu2",
"formula_anonymous": "ABC2",
"energy": -14.72614529,
"energy_per_atom": -3.6815363225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -14.72614529,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.0002947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.872000Z",
"spacegroup": 71
},
{
"id": "mp-1183218",
"created_at": "2022-09-04T14:45:22.505031Z",
"structure_string": "Al1 Ga1 Ru2\n1.0\n0.000000 3.018128 3.018128\n3.018128 0.000000 3.018128\n3.018128 3.018128 0.000000\nAl Ga Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ga",
"Ru"
],
"chemical_system": "Al-Ga-Ru",
"density": 9.025088348441669,
"density_atomic": 0.07274732565520471,
"volume": 54.98483915351766,
"volume_molar": 8.278161026211066,
"formula_full": "Al1 Ga1 Ru2",
"formula_reduced": "AlGaRu2",
"formula_anonymous": "ABC2",
"energy": -27.27427244,
"energy_per_atom": -6.81856811,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.27427244,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020685,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.127000Z",
"spacegroup": 225
},
{
"id": "mp-1219763",
"created_at": "2022-09-04T14:47:04.154590Z",
"structure_string": "Pu2 Al4 Ga4\n1.0\n-2.153159 3.136266 6.900780\n2.153159 -3.136266 6.900780\n2.153159 3.136266 -6.900780\nPu Al Ga\n2 4 4\ndirect\n0.135638 0.885638 0.250000 Pu\n0.864362 0.114362 0.750000 Pu\n0.356277 0.106277 0.250000 Al\n0.643723 0.893723 0.750000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.667071 0.696893 0.970178 Ga\n0.332929 0.303107 0.029822 Ga\n0.773285 0.303107 0.470178 Ga\n0.226715 0.696893 0.529822 Ga\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pu",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Pu",
"density": 7.793269944018978,
"density_atomic": 0.05364791341346489,
"volume": 186.400539438131,
"volume_molar": 11.225302862363563,
"formula_full": "Pu2 Al4 Ga4",
"formula_reduced": "Pu(AlGa)2",
"formula_anonymous": "AB2C2",
"energy": -58.722365,
"energy_per_atom": -5.8722365000000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -58.722365,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.8698107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.205000Z",
"spacegroup": 74
},
{
"id": "mp-570255",
"created_at": "2022-09-04T14:42:52.423562Z",
"structure_string": "Pr1 Al2 Ga2\n1.0\n-2.127301 2.127301 5.596188\n2.127301 -2.127301 5.596188\n2.127301 2.127301 -5.596188\nPr Al Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.612618 0.612618 0.000000 Ga\n0.387382 0.387382 0.000000 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Pr",
"density": 5.480207823853334,
"density_atomic": 0.049358258554858,
"volume": 101.30017035432633,
"volume_molar": 12.200877697714647,
"formula_full": "Pr1 Al2 Ga2",
"formula_reduced": "Pr(AlGa)2",
"formula_anonymous": "AB2C2",
"energy": -20.60392175,
"energy_per_atom": -4.12078435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.60392175,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048446,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.109000Z",
"spacegroup": 139
},
{
"id": "mp-1186435",
"created_at": "2022-09-04T14:48:09.522322Z",
"structure_string": "Pm2 Al1 Ga1\n1.0\n0.000000 3.692397 3.692397\n3.692397 0.000000 3.692397\n3.692397 3.692397 0.000000\nPm Al Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Pm",
"density": 6.3778338728012915,
"density_atomic": 0.039728743270745125,
"volume": 100.68277198552772,
"volume_molar": 15.158145625095814,
"formula_full": "Pm2 Al1 Ga1",
"formula_reduced": "Pm2AlGa",
"formula_anonymous": "ABC2",
"energy": -18.11329708,
"energy_per_atom": -4.52832427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.11329708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.995000Z",
"spacegroup": 225
},
{
"id": "mp-1095917",
"created_at": "2022-09-04T14:45:25.087344Z",
"structure_string": "Al1 Ga1 Pd2\n1.0\n-4.842540 5.327382 7.530402\n4.842540 -5.327382 7.530402\n4.842540 5.327382 -7.530402\nAl Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ga\n0.000000 0.245987 0.245987 Pd\n0.000000 0.754013 0.754013 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ga",
"Pd"
],
"chemical_system": "Al-Ga-Pd",
"density": 0.6614652528685226,
"density_atomic": 0.00514748136732247,
"volume": 777.0790634412053,
"volume_molar": 116.99198754229771,
"formula_full": "Al1 Ga1 Pd2",
"formula_reduced": "AlGaPd2",
"formula_anonymous": "ABC2",
"energy": -12.49603793,
"energy_per_atom": -3.1240094825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.49603793,
"band_gap": 0.6435999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.01e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.013000Z",
"spacegroup": 71
},
{
"id": "mp-1228888",
"created_at": "2022-09-04T14:41:11.107916Z",
"structure_string": "Al1 Ga1 P2\n1.0\n3.893792 0.000000 0.000000\n0.000000 3.893792 0.000000\n0.000000 0.000000 5.500364\nAl Ga P\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.250646 P\n0.500000 0.000000 0.749354 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ga",
"P"
],
"chemical_system": "Al-Ga-P",
"density": 3.1590601281782713,
"density_atomic": 0.047964846989055364,
"volume": 83.39440759422669,
"volume_molar": 12.555321528231154,
"formula_full": "Al1 Ga1 P2",
"formula_reduced": "AlGaP2",
"formula_anonymous": "ABC2",
"energy": -19.62427061,
"energy_per_atom": -4.9060676525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.62427061,
"band_gap": 1.6344000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.91e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.894000Z",
"spacegroup": 115
},
{
"id": "mp-1046781",
"created_at": "2022-09-04T14:44:51.535954Z",
"structure_string": "Sr4 Al2 Ga2 W4 O14\n1.0\n-5.686451 0.000000 0.000000\n-0.134677 -6.135970 0.000000\n2.822404 2.932437 11.077237\nSr Al Ga W O\n4 2 2 4 14\ndirect\n0.880459 0.814217 0.696508 Sr\n0.148297 0.216963 0.330470 Sr\n0.348211 0.363352 0.691608 Sr\n0.653648 0.615484 0.316842 Sr\n0.381874 0.598672 0.976030 Al\n0.952508 0.123477 0.053354 Al\n0.720531 0.167817 0.506598 Ga\n0.228527 0.829360 0.504932 Ga\n0.582603 0.070440 0.145545 W\n0.922541 0.389114 0.858165 W\n0.093099 0.585496 0.143068 W\n0.451869 0.930712 0.851970 W\n0.609464 0.598209 0.892413 O\n0.391995 0.092313 0.501661 O\n0.154899 0.707519 0.871515 O\n0.217213 0.631513 0.353635 O\n0.940487 0.918780 0.148000 O\n0.431182 0.739826 0.133163 O\n0.892391 0.895840 0.497124 O\n0.253827 0.249673 0.141970 O\n0.816928 0.359473 0.157950 O\n0.691327 0.228275 0.355077 O\n0.841117 0.390741 0.645394 O\n0.339361 0.740431 0.645782 O\n0.666391 0.124290 0.788893 O\n0.181330 0.155563 0.804135 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Al",
"Ga",
"W",
"O"
],
"chemical_system": "Al-Ga-O-Sr-W",
"density": 6.458350935955143,
"density_atomic": 0.06726937172773881,
"volume": 386.50576528692017,
"volume_molar": 8.952277396574443,
"formula_full": "Sr4 Al2 Ga2 W4 O14",
"formula_reduced": "Sr2AlGaW2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -196.19036265,
"energy_per_atom": -7.545783178846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -168.82036265,
"band_gap": 0.8241999999999994,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9995577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.660000Z",
"spacegroup": 1
},
{
"id": "mp-1045091",
"created_at": "2022-09-04T14:44:22.935894Z",
"structure_string": "Sr4 Al2 Ga2 W4 O14\n1.0\n5.370425 0.004623 -1.208561\n-0.323358 5.953692 -1.411591\n-0.091080 -0.371818 11.826170\nSr Al Ga W O\n4 2 2 4 14\ndirect\n0.153532 0.169791 0.306243 Sr\n0.834235 0.811481 0.687321 Sr\n0.659364 0.623474 0.312386 Sr\n0.329892 0.375527 0.679958 Sr\n0.456109 0.454356 0.981819 Al\n0.032358 0.996558 0.999692 Al\n0.221815 0.818837 0.496015 Ga\n0.722221 0.176640 0.499089 Ga\n0.442658 0.913250 0.870988 W\n0.085203 0.585903 0.132603 W\n0.941832 0.418999 0.867193 W\n0.565139 0.079545 0.133973 W\n0.700675 0.407824 0.103046 O\n0.889976 0.906878 0.502620 O\n0.210941 0.244290 0.121350 O\n0.838570 0.381422 0.651835 O\n0.801467 0.093983 0.885406 O\n0.279088 0.228876 0.850424 O\n0.387531 0.093885 0.499011 O\n0.091622 0.753761 0.873153 O\n0.594077 0.585112 0.885198 O\n0.354581 0.751826 0.641806 O\n0.175332 0.608485 0.346525 O\n0.713606 0.250851 0.356399 O\n0.902351 0.899865 0.109700 O\n0.396102 0.831029 0.194450 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Ga",
"W",
"O"
],
"chemical_system": "Al-Ga-O-Sr-W",
"density": 6.664909846821066,
"density_atomic": 0.0694208633850533,
"volume": 374.52717716556015,
"volume_molar": 8.674828382063312,
"formula_full": "Sr4 Al2 Ga2 W4 O14",
"formula_reduced": "Sr2AlGaW2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -197.63939294,
"energy_per_atom": -7.601515113076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -170.26939294,
"band_gap": 0.4012000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9984283,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.159000Z",
"spacegroup": 1
},
{
"id": "mp-1046771",
"created_at": "2022-09-04T14:45:55.514346Z",
"structure_string": "Sr4 Al2 V4 Ga2 O14\n1.0\n11.027579 4.012207 0.000000\n-11.027579 4.012207 0.000000\n0.000000 3.803227 4.086444\nSr Al V Ga O\n4 2 4 2 14\ndirect\n0.894232 0.691182 0.965265 Sr\n0.121544 0.312000 0.035049 Sr\n0.312000 0.121544 0.035049 Sr\n0.691182 0.894232 0.965265 Sr\n0.398402 0.935405 0.012168 Al\n0.935405 0.398402 0.012168 Al\n0.077791 0.446862 0.482972 V\n0.446862 0.077791 0.482972 V\n0.556965 0.916466 0.521793 V\n0.916466 0.556965 0.521793 V\n0.337444 0.337444 0.440789 Ga\n0.677722 0.677722 0.611433 Ga\n0.169086 0.794805 0.985824 O\n0.393485 0.393485 0.726625 O\n0.265351 0.883861 0.365174 O\n0.719985 0.873865 0.430974 O\n0.387635 0.771557 0.028149 O\n0.222084 0.597989 0.678566 O\n0.626340 0.626340 0.001273 O\n0.794805 0.169086 0.985824 O\n0.883861 0.265351 0.365174 O\n0.133825 0.285542 0.507059 O\n0.285542 0.133825 0.507059 O\n0.873865 0.719985 0.430974 O\n0.597989 0.222084 0.678566 O\n0.771557 0.387635 0.028149 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Al",
"V",
"Ga",
"O"
],
"chemical_system": "Al-Ga-O-Sr-V",
"density": 4.461885392628026,
"density_atomic": 0.07190089419941144,
"volume": 361.60885465333797,
"volume_molar": 8.375613164556855,
"formula_full": "Sr4 Al2 V4 Ga2 O14",
"formula_reduced": "Sr2AlV2GaO7",
"formula_anonymous": "ABC2D2E7",
"energy": -193.0288104,
"energy_per_atom": -7.424185015384615,
"energy_above_hull": null,
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"energy_uncorrected": -176.6108104,
"band_gap": 0.2759999999999998,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.887000Z",
"spacegroup": 8
},
{
"id": "mp-1048054",
"created_at": "2022-09-04T14:40:41.356017Z",
"structure_string": "Sr4 Ti4 Al2 Ga2 O14\n1.0\n5.160803 0.000000 0.000000\n-0.022827 5.333919 0.000000\n-2.550257 -2.495394 13.148995\nSr Ti Al Ga O\n4 4 2 2 14\ndirect\n0.149483 0.138882 0.315636 Sr\n0.825920 0.834154 0.676372 Sr\n0.660143 0.664456 0.318306 Sr\n0.344934 0.307891 0.673756 Sr\n0.517697 0.930918 0.895985 Ti\n0.992730 0.570027 0.111735 Ti\n0.861475 0.427693 0.895920 Ti\n0.604927 0.074359 0.112859 Ti\n0.410514 0.469532 0.986878 Al\n0.078503 0.988350 0.995408 Al\n0.293570 0.669715 0.496448 Ga\n0.795974 0.306977 0.497371 Ga\n0.258269 0.917824 0.114669 O\n0.666693 0.643675 0.499503 O\n0.801099 0.840874 0.174990 O\n0.808170 0.271955 0.631550 O\n0.199234 0.690258 0.914601 O\n0.651925 0.640955 0.821633 O\n0.166581 0.332510 0.495673 O\n0.652766 0.139696 0.819867 O\n0.195128 0.184491 0.905603 O\n0.287639 0.828379 0.629896 O\n0.172333 0.706197 0.363253 O\n0.657101 0.149205 0.364740 O\n0.331481 0.405729 0.104090 O\n0.857632 0.346655 0.180156 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Ti",
"Al",
"Ga",
"O"
],
"chemical_system": "Al-Ga-O-Sr-Ti",
"density": 4.401181924642298,
"density_atomic": 0.07183185636155676,
"volume": 361.95639813528163,
"volume_molar": 8.383662994435644,
"formula_full": "Sr4 Ti4 Al2 Ga2 O14",
"formula_reduced": "Sr2Ti2AlGaO7",
"formula_anonymous": "ABC2D2E7",
"energy": -194.48418315,
"energy_per_atom": -7.4801608903846155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.86618315,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.11397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.518000Z",
"spacegroup": 1
}
]
}