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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=11526",
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"results": [
{
"id": "mp-1048033",
"created_at": "2022-09-04T14:40:09.186812Z",
"structure_string": "Sr4 Al2 Ga2 Sn4 O14\n1.0\n-5.752898 0.000000 0.000000\n-0.013467 -6.585190 0.000000\n2.856682 3.261010 11.401595\nSr Al Ga Sn O\n4 2 2 4 14\ndirect\n0.151767 0.228582 0.321592 Sr\n0.831560 0.793194 0.674633 Sr\n0.659080 0.620757 0.326975 Sr\n0.329216 0.405931 0.678944 Sr\n0.543007 0.296010 0.064923 Al\n0.981392 0.731086 0.938381 Al\n0.210409 0.846907 0.499125 Ga\n0.699648 0.156868 0.500593 Ga\n0.428408 0.000020 0.848966 Sn\n0.083815 0.652894 0.157555 Sn\n0.901433 0.325337 0.807427 Sn\n0.597846 0.021789 0.194319 Sn\n0.829799 0.407683 0.144486 O\n0.872626 0.913433 0.500828 O\n0.336235 0.419261 0.140987 O\n0.830874 0.387416 0.635527 O\n0.612164 0.124200 0.747436 O\n0.133448 0.117801 0.752794 O\n0.366827 0.112614 0.500244 O\n0.189811 0.761853 0.857694 O\n0.700109 0.784983 0.863454 O\n0.330300 0.742757 0.628603 O\n0.195702 0.617651 0.365436 O\n0.699245 0.254999 0.366620 O\n0.883002 0.870206 0.249951 O\n0.368728 0.880958 0.254170 O\n",
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],
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"volume_molar": 10.004563581428277,
"formula_full": "Sr4 Al2 Ga2 Sn4 O14",
"formula_reduced": "Sr2AlGaSn2O7",
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"band_gap": 1.6094,
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"updated_at": "2021-11-28T01:34:53.738000Z",
"spacegroup": 1
},
{
"id": "mp-1215158",
"created_at": "2022-09-04T14:39:13.815076Z",
"structure_string": "Al12 Ga1 S4 O66\n1.0\n0.000000 7.778432 7.778432\n7.778432 0.000000 7.778432\n7.778432 7.778432 0.000000\nAl Ga S O\n12 1 4 66\ndirect\n0.703208 0.703208 0.427479 Al\n0.703208 0.703208 0.166106 Al\n0.427479 0.166106 0.703208 Al\n0.427479 0.703208 0.703208 Al\n0.166106 0.427479 0.703208 Al\n0.166106 0.703208 0.703208 Al\n0.703208 0.427479 0.166106 Al\n0.703208 0.166106 0.427479 Al\n0.703208 0.427479 0.703208 Al\n0.166106 0.703208 0.427479 Al\n0.427479 0.703208 0.166106 Al\n0.703208 0.166106 0.703208 Al\n0.500000 0.500000 0.500000 Ga\n0.135446 0.135446 0.135446 S\n0.135446 0.135446 0.593663 S\n0.135446 0.593663 0.135446 S\n0.593663 0.135446 0.135446 S\n0.189094 0.189094 0.189094 O\n0.189094 0.189094 0.432718 O\n0.189094 0.432718 0.189094 O\n0.432718 0.189094 0.189094 O\n0.818567 0.818567 0.280488 O\n0.818567 0.818567 0.082378 O\n0.280488 0.082378 0.818567 O\n0.280488 0.818567 0.818567 O\n0.082378 0.280488 0.818567 O\n0.082378 0.818567 0.818567 O\n0.818567 0.280488 0.082378 O\n0.818567 0.082378 0.280488 O\n0.818567 0.280488 0.818567 O\n0.082378 0.818567 0.280488 O\n0.280488 0.818567 0.082378 O\n0.818567 0.082378 0.818567 O\n0.042524 0.042524 0.262894 O\n0.042524 0.042524 0.652058 O\n0.262894 0.652058 0.042524 O\n0.262894 0.042524 0.042524 O\n0.652058 0.262894 0.042524 O\n0.652058 0.042524 0.042524 O\n0.042524 0.262894 0.652058 O\n0.042524 0.652058 0.262894 O\n0.042524 0.262894 0.042524 O\n0.652058 0.042524 0.262894 O\n0.262894 0.042524 0.652058 O\n0.042524 0.652058 0.042524 O\n0.577287 0.577287 0.577287 O\n0.577287 0.577287 0.268138 O\n0.577287 0.268138 0.577287 O\n0.268138 0.577287 0.577287 O\n0.523412 0.976588 0.976588 O\n0.976588 0.523412 0.523412 O\n0.976588 0.523412 0.976588 O\n0.523412 0.976588 0.523412 O\n0.976588 0.976588 0.523412 O\n0.523412 0.523412 0.976588 O\n0.391280 0.391280 0.391280 O\n0.391280 0.391280 0.826161 O\n0.391280 0.826161 0.391280 O\n0.826161 0.391280 0.391280 O\n0.311374 0.311374 0.803192 O\n0.311374 0.311374 0.574059 O\n0.803192 0.574059 0.311374 O\n0.803192 0.311374 0.311374 O\n0.574059 0.803192 0.311374 O\n0.574059 0.311374 0.311374 O\n0.311374 0.803192 0.574059 O\n0.311374 0.574059 0.803192 O\n0.311374 0.803192 0.311374 O\n0.574059 0.311374 0.803192 O\n0.803192 0.311374 0.574059 O\n0.311374 0.574059 0.311374 O\n0.575088 0.575088 0.815957 O\n0.575088 0.575088 0.033867 O\n0.815957 0.033867 0.575088 O\n0.815957 0.575088 0.575088 O\n0.033867 0.815957 0.575088 O\n0.033867 0.575088 0.575088 O\n0.575088 0.815957 0.033867 O\n0.575088 0.033867 0.815957 O\n0.575088 0.815957 0.575088 O\n0.033867 0.575088 0.815957 O\n0.815957 0.575088 0.033867 O\n0.575088 0.033867 0.575088 O\n",
"nsites": 83,
"nelements": 4,
"elements": [
"Al",
"Ga",
"S",
"O"
],
"chemical_system": "Al-Ga-O-S",
"density": 2.7833855442498137,
"density_atomic": 0.08818037034837073,
"volume": 941.252567573658,
"volume_molar": 6.8293439188433505,
"formula_full": "Al12 Ga1 S4 O66",
"formula_reduced": "Al12Ga(S2O33)2",
"formula_anonymous": "AB4C12D66",
"energy": -444.98209858,
"energy_per_atom": -5.361230103373494,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -444.98209858,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.279000Z",
"spacegroup": 216
},
{
"id": "mp-1228948",
"created_at": "2022-09-04T14:44:10.994922Z",
"structure_string": "Al1 Ga1 P2 O8\n1.0\n3.553967 3.588599 0.000000\n-3.553967 3.588599 0.000000\n0.000000 0.035672 7.075574\nAl Ga P O\n1 1 2 8\ndirect\n0.808120 0.191880 0.500000 Al\n0.197433 0.802567 0.000000 Ga\n0.693538 0.692975 0.254246 P\n0.307025 0.306462 0.745754 P\n0.849541 0.766227 0.073504 O\n0.771762 0.864059 0.424303 O\n0.135941 0.228238 0.575697 O\n0.233773 0.150459 0.926496 O\n0.743472 0.401451 0.307063 O\n0.395620 0.734775 0.211921 O\n0.265225 0.604380 0.788079 O\n0.598549 0.256528 0.692937 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Al",
"Ga",
"P",
"O"
],
"chemical_system": "Al-Ga-O-P",
"density": 2.6373447293959957,
"density_atomic": 0.06648922185893053,
"volume": 180.48037959385766,
"volume_molar": 9.057318752770355,
"formula_full": "Al1 Ga1 P2 O8",
"formula_reduced": "AlGa(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -91.39178004,
"energy_per_atom": -7.61598167,
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"band_gap": 4.8858,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.107000Z",
"spacegroup": 5
},
{
"id": "mp-1228998",
"created_at": "2022-09-04T14:46:01.836340Z",
"structure_string": "Al2 Ga1 P3 O12\n1.0\n2.498464 4.350995 0.000000\n-2.498464 4.350995 0.000000\n0.000000 0.029654 11.131611\nAl Ga P O\n2 1 3 12\ndirect\n0.464201 0.000066 0.165064 Al\n0.999934 0.535799 0.834936 Al\n0.533402 0.466598 0.500000 Ga\n0.533921 0.466079 0.000000 P\n0.465183 0.999584 0.669222 P\n0.000416 0.534817 0.330778 P\n0.591178 0.103412 0.563398 O\n0.120984 0.294824 0.228391 O\n0.294007 0.581533 0.898034 O\n0.896588 0.408822 0.436602 O\n0.705176 0.879016 0.771609 O\n0.418467 0.705993 0.101966 O\n0.584123 0.157746 0.050073 O\n0.156793 0.265136 0.717492 O\n0.255480 0.597004 0.375104 O\n0.842254 0.415877 0.949927 O\n0.734864 0.843207 0.282508 O\n0.402996 0.744520 0.624896 O\n",
"nsites": 18,
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"elements": [
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"P",
"O"
],
"chemical_system": "Al-Ga-O-P",
"density": 2.8034830580636507,
"density_atomic": 0.07437428571145542,
"volume": 242.01913104528234,
"volume_molar": 8.0970737431532,
"formula_full": "Al2 Ga1 P3 O12",
"formula_reduced": "Al2Ga(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -138.92732159,
"energy_per_atom": -7.718184532777777,
"energy_above_hull": null,
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"energy_uncorrected": -130.68332159,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.290000Z",
"spacegroup": 5
},
{
"id": "mp-772187",
"created_at": "2022-09-04T14:46:18.396162Z",
"structure_string": "Al8 Ga8 O24\n1.0\n4.995092 0.000000 0.000000\n0.000000 8.625028 0.000000\n0.000000 0.000000 9.159761\nAl Ga O\n8 8 24\ndirect\n0.180542 0.466093 0.790319 Al\n0.189706 0.157306 0.584683 Al\n0.310294 0.657306 0.084683 Al\n0.319458 0.966093 0.290319 Al\n0.680542 0.033907 0.790319 Al\n0.689706 0.342694 0.584683 Al\n0.810294 0.842694 0.084683 Al\n0.819458 0.533907 0.290319 Al\n0.182546 0.149405 0.991722 Ga\n0.186319 0.842082 0.807600 Ga\n0.313681 0.342082 0.307600 Ga\n0.317454 0.649405 0.491722 Ga\n0.682546 0.350595 0.991722 Ga\n0.686319 0.657918 0.807600 Ga\n0.813681 0.157918 0.307600 Ga\n0.817454 0.850595 0.491722 Ga\n0.032161 0.336010 0.932435 O\n0.037884 0.012539 0.432793 O\n0.019454 0.679270 0.934694 O\n0.148616 0.831012 0.170045 O\n0.168669 0.154361 0.197025 O\n0.150338 0.507951 0.203076 O\n0.349662 0.007951 0.703076 O\n0.331331 0.654361 0.697025 O\n0.351384 0.331012 0.670045 O\n0.480546 0.179270 0.434694 O\n0.462116 0.512539 0.932793 O\n0.467839 0.836010 0.432435 O\n0.532161 0.163990 0.932435 O\n0.537884 0.487461 0.432793 O\n0.519454 0.820730 0.934694 O\n0.648616 0.668988 0.170045 O\n0.668669 0.345639 0.197025 O\n0.650338 0.992049 0.203076 O\n0.849662 0.492049 0.703076 O\n0.831331 0.845639 0.697025 O\n0.851384 0.168988 0.670045 O\n0.980546 0.320730 0.434694 O\n0.962116 0.987461 0.932793 O\n0.967839 0.663990 0.432435 O\n",
"nsites": 40,
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],
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"volume": 394.62822780999744,
"volume_molar": 5.9412668393528785,
"formula_full": "Al8 Ga8 O24",
"formula_reduced": "AlGaO3",
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"energy": -285.70166307,
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"updated_at": "2021-11-28T01:37:28.452000Z",
"spacegroup": 33
},
{
"id": "mp-756686",
"created_at": "2022-09-04T14:46:41.666585Z",
"structure_string": "Al4 Ga4 O12\n1.0\n4.889231 0.000000 0.000000\n0.000000 5.009529 0.000000\n0.000000 0.000000 7.448018\nAl Ga O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.014015 0.957043 0.750000 Ga\n0.485985 0.457043 0.750000 Ga\n0.514015 0.542957 0.250000 Ga\n0.985985 0.042957 0.250000 Ga\n0.132061 0.420152 0.250000 O\n0.181007 0.185489 0.571448 O\n0.181007 0.185489 0.928552 O\n0.318993 0.685489 0.571448 O\n0.318993 0.685489 0.928552 O\n0.367939 0.920152 0.250000 O\n0.632061 0.079848 0.750000 O\n0.681007 0.314511 0.071448 O\n0.681007 0.314511 0.428552 O\n0.818993 0.814511 0.071448 O\n0.818993 0.814511 0.428552 O\n0.867939 0.579848 0.750000 O\n",
"nsites": 20,
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"elements": [
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"Ga",
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],
"chemical_system": "Al-Ga-O",
"density": 5.268750946247227,
"density_atomic": 0.10963565771328435,
"volume": 182.42240177281883,
"volume_molar": 5.492866906265943,
"formula_full": "Al4 Ga4 O12",
"formula_reduced": "AlGaO3",
"formula_anonymous": "ABC3",
"energy": -141.2750267,
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"updated_at": "2021-11-28T01:37:50.087000Z",
"spacegroup": 62
},
{
"id": "mp-772898",
"created_at": "2022-09-04T14:44:07.198587Z",
"structure_string": "Al8 Ga8 O24\n1.0\n5.001676 0.000000 0.000000\n0.000000 8.601477 0.000000\n0.000000 0.000000 9.277844\nAl Ga O\n8 8 24\ndirect\n0.171465 0.154299 0.000962 Al\n0.182096 0.836752 0.804623 Al\n0.317904 0.336752 0.304623 Al\n0.328535 0.654299 0.500962 Al\n0.671465 0.345701 0.000962 Al\n0.682096 0.663248 0.804623 Al\n0.817904 0.163248 0.304623 Al\n0.828535 0.845701 0.500962 Al\n0.169382 0.467835 0.798467 Ga\n0.187885 0.149230 0.583632 Ga\n0.312115 0.649230 0.083632 Ga\n0.330618 0.967835 0.298467 Ga\n0.669382 0.032165 0.798467 Ga\n0.687885 0.350770 0.583632 Ga\n0.812115 0.850770 0.083632 Ga\n0.830618 0.532165 0.298467 Ga\n0.005987 0.326792 0.942306 O\n0.009082 0.010198 0.430145 O\n0.020457 0.677503 0.918071 O\n0.158404 0.829343 0.170127 O\n0.147392 0.164550 0.194665 O\n0.160141 0.492818 0.201391 O\n0.339859 0.992818 0.701391 O\n0.352608 0.664550 0.694665 O\n0.341596 0.329343 0.670127 O\n0.479543 0.177503 0.418071 O\n0.490918 0.510198 0.930145 O\n0.494013 0.826792 0.442306 O\n0.505987 0.173208 0.942306 O\n0.509082 0.489802 0.430145 O\n0.520457 0.822497 0.918071 O\n0.658404 0.670657 0.170127 O\n0.647392 0.335450 0.194665 O\n0.660141 0.007182 0.201391 O\n0.839859 0.507182 0.701391 O\n0.852608 0.835450 0.694665 O\n0.841596 0.170657 0.670127 O\n0.979543 0.322497 0.418071 O\n0.990918 0.989802 0.930145 O\n0.994013 0.673208 0.442306 O\n",
"nsites": 40,
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"density": 4.815930171239055,
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"formula_full": "Al8 Ga8 O24",
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"updated_at": "2021-11-28T01:36:35.059000Z",
"spacegroup": 33
},
{
"id": "mp-1342473",
"created_at": "2022-09-04T14:43:38.773837Z",
"structure_string": "Sr4 Al2 Ga2 Ni4 O14\n1.0\n2.588058 11.414725 0.000000\n-2.588058 11.414725 0.000000\n0.000000 0.651547 5.607677\nSr Al Ga Ni O\n4 2 2 4 14\ndirect\n0.844678 0.349853 0.252615 Sr\n0.155285 0.639685 0.746410 Sr\n0.349853 0.844678 0.752615 Sr\n0.639685 0.155285 0.246410 Sr\n0.498990 0.995788 0.499700 Al\n0.995788 0.498990 0.999700 Al\n0.301131 0.689792 0.206559 Ga\n0.689792 0.301131 0.706559 Ga\n0.072104 0.536397 0.364796 Ni\n0.458238 0.922218 0.137490 Ni\n0.536397 0.072104 0.864796 Ni\n0.922218 0.458238 0.637490 Ni\n0.281691 0.153980 0.825865 O\n0.365324 0.622045 0.874888 O\n0.153980 0.281691 0.325865 O\n0.724312 0.114170 0.809291 O\n0.414962 0.221983 0.529412 O\n0.221983 0.414962 0.029412 O\n0.622045 0.365324 0.374888 O\n0.711591 0.840879 0.176841 O\n0.840879 0.711591 0.676841 O\n0.114170 0.724312 0.309291 O\n0.283575 0.864928 0.211467 O\n0.864928 0.283575 0.711467 O\n0.771157 0.580742 0.971742 O\n0.580742 0.771157 0.471742 O\n",
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"elements": [
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],
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