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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=10182",
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"results": [
{
"id": "mp-29846",
"created_at": "2022-09-04T14:43:58.315112Z",
"structure_string": "Tb10 B2 Br15\n1.0\n9.097365 0.000000 0.000000\n-3.496651 9.225615 0.000000\n-4.449660 -1.929662 9.564695\nTb B Br\n10 2 15\ndirect\n0.798956 0.407506 0.275163 Tb\n0.201044 0.592494 0.724837 Tb\n0.674153 0.746750 0.822051 Tb\n0.325847 0.253250 0.177949 Tb\n0.525220 0.704685 0.094423 Tb\n0.474780 0.295315 0.905577 Tb\n0.584997 0.040894 0.322894 Tb\n0.415003 0.959106 0.677106 Tb\n0.721151 0.074215 0.048068 Tb\n0.278849 0.925785 0.951932 Tb\n0.467430 0.819528 0.877107 B\n0.532570 0.180472 0.122893 B\n0.000000 0.000000 0.000000 Br\n0.637948 0.882970 0.584214 Br\n0.362052 0.117030 0.415786 Br\n0.884281 0.299612 0.528698 Br\n0.115719 0.700388 0.471302 Br\n0.290422 0.761605 0.180263 Br\n0.709578 0.238395 0.819737 Br\n0.056155 0.342257 0.227087 Br\n0.165143 0.058114 0.702472 Br\n0.834857 0.941886 0.297528 Br\n0.230982 0.410202 0.943210 Br\n0.769018 0.589798 0.056790 Br\n0.408396 0.462763 0.659240 Br\n0.591604 0.537237 0.340760 Br\n0.943845 0.657743 0.772913 Br\n",
"nsites": 27,
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"elements": [
"Tb",
"B",
"Br"
],
"chemical_system": "B-Br-Tb",
"density": 5.811471216375062,
"density_atomic": 0.03363424566587923,
"volume": 802.753249417767,
"volume_molar": 17.9047891242266,
"formula_full": "Tb10 B2 Br15",
"formula_reduced": "Tb10B2Br15",
"formula_anonymous": "A2B10C15",
"energy": -133.89350675,
"energy_per_atom": -4.9590187685185185,
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"band_gap": 0.0,
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"spacegroup": 2
},
{
"id": "mp-1232074",
"created_at": "2022-09-04T14:39:46.702008Z",
"structure_string": "Eu8 Mg4 Se16\n1.0\n14.096930 0.000000 0.000000\n0.000000 4.126716 0.000000\n0.000000 0.000000 13.799240\nEu Mg Se\n8 4 16\ndirect\n0.123031 0.250000 0.071696 Eu\n0.876969 0.750000 0.928304 Eu\n0.376969 0.750000 0.571696 Eu\n0.623031 0.250000 0.428304 Eu\n0.126541 0.250000 0.705599 Eu\n0.873459 0.750000 0.294401 Eu\n0.373459 0.750000 0.205599 Eu\n0.626541 0.250000 0.794401 Eu\n0.104666 0.750000 0.462591 Mg\n0.895334 0.250000 0.537409 Mg\n0.395334 0.250000 0.962591 Mg\n0.604666 0.750000 0.037409 Mg\n0.997680 0.750000 0.621129 Se\n0.002320 0.250000 0.378871 Se\n0.502320 0.250000 0.121129 Se\n0.497680 0.750000 0.878871 Se\n0.019436 0.250000 0.886780 Se\n0.980564 0.750000 0.113220 Se\n0.480564 0.750000 0.386780 Se\n0.519436 0.250000 0.613220 Se\n0.235526 0.250000 0.252452 Se\n0.764474 0.750000 0.747548 Se\n0.264474 0.750000 0.752452 Se\n0.735526 0.250000 0.247548 Se\n0.271464 0.750000 0.006764 Se\n0.728536 0.250000 0.993236 Se\n0.228536 0.250000 0.506764 Se\n0.771464 0.750000 0.493236 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Eu",
"Mg",
"Se"
],
"chemical_system": "Eu-Mg-Se",
"density": 5.329173863828339,
"density_atomic": 0.0348797800986916,
"volume": 802.7573545697418,
"volume_molar": 17.265420661943626,
"formula_full": "Eu8 Mg4 Se16",
"formula_reduced": "Eu2MgSe4",
"formula_anonymous": "AB2C4",
"energy": -189.7238252,
"energy_per_atom": -6.7758509,
"energy_above_hull": null,
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"energy_uncorrected": -182.1718252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 48.8912728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.555000Z",
"spacegroup": 62
},
{
"id": "mp-1232245",
"created_at": "2022-09-04T14:39:32.714739Z",
"structure_string": "Pr8 Mg4 Se16\n1.0\n7.495778 0.000000 0.000000\n0.000000 8.639574 0.000000\n0.000000 0.000000 12.396680\nPr Mg Se\n8 4 16\ndirect\n0.750000 0.037866 0.320456 Pr\n0.250000 0.962134 0.679544 Pr\n0.250000 0.462134 0.820456 Pr\n0.750000 0.537866 0.179544 Pr\n0.250000 0.084892 0.037181 Pr\n0.750000 0.915108 0.962819 Pr\n0.750000 0.415108 0.537181 Pr\n0.250000 0.584892 0.462819 Pr\n0.250000 0.193967 0.417740 Mg\n0.750000 0.806033 0.582260 Mg\n0.750000 0.306033 0.917740 Mg\n0.250000 0.693967 0.082260 Mg\n0.491604 0.142483 0.846280 Se\n0.508396 0.857517 0.153720 Se\n0.508396 0.357517 0.346280 Se\n0.491604 0.642483 0.653720 Se\n0.008396 0.642483 0.653720 Se\n0.991604 0.357517 0.346280 Se\n0.991604 0.857517 0.153720 Se\n0.008396 0.142483 0.846280 Se\n0.250000 0.911599 0.437167 Se\n0.750000 0.088401 0.562833 Se\n0.750000 0.588401 0.937167 Se\n0.250000 0.411599 0.062833 Se\n0.750000 0.207822 0.111396 Se\n0.250000 0.792178 0.888604 Se\n0.250000 0.292178 0.611396 Se\n0.750000 0.707822 0.388604 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"Se"
],
"chemical_system": "Mg-Pr-Se",
"density": 5.145852314956693,
"density_atomic": 0.034877359354102105,
"volume": 802.8130718189472,
"volume_molar": 17.266619008791746,
"formula_full": "Pr8 Mg4 Se16",
"formula_reduced": "Pr2MgSe4",
"formula_anonymous": "AB2C4",
"energy": -150.63468727999998,
"energy_per_atom": -5.379810259999999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -143.08268728,
"band_gap": 1.2334,
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"is_magnetic": false,
"total_magnetization": 0.0023423,
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"updated_at": "2021-11-28T01:34:27.428000Z",
"spacegroup": 62
},
{
"id": "mp-764688",
"created_at": "2022-09-04T14:44:16.595725Z",
"structure_string": "Li32 Co8 O32\n1.0\n9.501359 0.000000 0.000000\n0.000000 9.059144 0.000000\n0.000000 0.145574 9.327149\nLi Co O\n32 8 32\ndirect\n0.134123 0.848534 0.387375 Li\n0.865877 0.848534 0.887375 Li\n0.380920 0.701478 0.909585 Li\n0.619080 0.701478 0.409585 Li\n0.885594 0.648117 0.107902 Li\n0.114406 0.648117 0.607902 Li\n0.102463 0.639330 0.870013 Li\n0.897537 0.639330 0.370013 Li\n0.351073 0.628390 0.329012 Li\n0.648927 0.628390 0.829012 Li\n0.141579 0.598413 0.139287 Li\n0.858421 0.598413 0.639287 Li\n0.633404 0.410334 0.358656 Li\n0.366596 0.410334 0.858656 Li\n0.140599 0.377122 0.662383 Li\n0.859401 0.377122 0.162383 Li\n0.601793 0.381593 0.629071 Li\n0.398207 0.381593 0.129071 Li\n0.631876 0.350339 0.899741 Li\n0.368124 0.350339 0.399741 Li\n0.129499 0.331800 0.110387 Li\n0.870501 0.331800 0.610387 Li\n0.641214 0.136977 0.098179 Li\n0.358786 0.136977 0.598179 Li\n0.877531 0.129730 0.401670 Li\n0.122469 0.129730 0.901670 Li\n0.100147 0.110337 0.637361 Li\n0.899853 0.110337 0.137361 Li\n0.629802 0.084337 0.664683 Li\n0.370198 0.084337 0.164683 Li\n0.130693 0.114062 0.364031 Li\n0.869307 0.114062 0.864031 Li\n0.109239 0.874096 0.109505 Co\n0.890761 0.874096 0.609505 Co\n0.618940 0.623772 0.112782 Co\n0.381060 0.623772 0.612782 Co\n0.101709 0.388430 0.384281 Co\n0.898291 0.388430 0.884281 Co\n0.610436 0.129163 0.379672 Co\n0.389564 0.129163 0.879672 Co\n0.007654 0.989116 0.498656 O\n0.992346 0.989116 0.998656 O\n0.208740 0.982877 0.231093 O\n0.791260 0.982877 0.731093 O\n0.211136 0.747615 0.006761 O\n0.788864 0.747615 0.506761 O\n0.021008 0.742527 0.232308 O\n0.978992 0.742527 0.732308 O\n0.508054 0.712866 0.229353 O\n0.491946 0.712866 0.729353 O\n0.733620 0.719775 0.992932 O\n0.266380 0.719775 0.492932 O\n0.747928 0.538060 0.238938 O\n0.252072 0.538060 0.738938 O\n0.489415 0.508538 0.492353 O\n0.510585 0.508538 0.992353 O\n0.002327 0.489157 0.014182 O\n0.997673 0.489157 0.514182 O\n0.240563 0.455627 0.256345 O\n0.759437 0.455627 0.756345 O\n0.211584 0.255050 0.502908 O\n0.788416 0.255050 0.002908 O\n0.998594 0.256255 0.267573 O\n0.001406 0.256255 0.767573 O\n0.500868 0.246419 0.263691 O\n0.499132 0.246419 0.763691 O\n0.715809 0.249993 0.495491 O\n0.284191 0.249993 0.995491 O\n0.738685 0.057580 0.264936 O\n0.261315 0.057580 0.764936 O\n0.493484 0.035195 0.000378 O\n0.506516 0.035195 0.500378 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 2.4935353589673617,
"density_atomic": 0.0896831163560436,
"volume": 802.8266960991708,
"volume_molar": 6.714910235826319,
"formula_full": "Li32 Co8 O32",
"formula_reduced": "Li4CoO4",
"formula_anonymous": "AB4C4",
"energy": -402.52898299,
"energy_per_atom": -5.590680319305555,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -367.44098299,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.236000Z",
"spacegroup": 7
},
{
"id": "mp-1212322",
"created_at": "2022-09-04T14:48:29.744856Z",
"structure_string": "K4 Gd4 H8 C8 S4 O36\n1.0\n8.709332 0.000000 0.000000\n0.000000 6.647614 0.000000\n0.000000 5.691735 13.866771\nK Gd H C S O\n4 4 8 8 4 36\ndirect\n0.152532 0.471010 0.801142 K\n0.847468 0.528990 0.198858 K\n0.652532 0.528990 0.698858 K\n0.347468 0.471010 0.301142 K\n0.761552 0.835189 0.911537 Gd\n0.238448 0.164811 0.088463 Gd\n0.261552 0.164811 0.588463 Gd\n0.738448 0.835189 0.411537 Gd\n0.954624 0.777949 0.580345 H\n0.045376 0.222051 0.419655 H\n0.454624 0.222051 0.919655 H\n0.545376 0.777949 0.080345 H\n0.456255 0.453796 0.923763 H\n0.543745 0.546204 0.076237 H\n0.956255 0.546204 0.576237 H\n0.043745 0.453796 0.423763 H\n0.470265 0.864153 0.768693 C\n0.529735 0.135847 0.231307 C\n0.970265 0.135847 0.731307 C\n0.029735 0.864153 0.268693 C\n0.965343 0.915815 0.719751 C\n0.034657 0.084185 0.280249 C\n0.465343 0.084185 0.780249 C\n0.534657 0.915815 0.219751 C\n0.162055 0.755756 0.977874 S\n0.837945 0.244244 0.022126 S\n0.662055 0.244244 0.522126 S\n0.337945 0.755756 0.477874 S\n0.266836 0.933351 0.501469 O\n0.733164 0.066649 0.498531 O\n0.766836 0.066649 0.998531 O\n0.233164 0.933351 0.001469 O\n0.898557 0.683449 0.553700 O\n0.101443 0.316551 0.446300 O\n0.398557 0.316551 0.946300 O\n0.601443 0.683449 0.053700 O\n0.055010 0.282076 0.672603 O\n0.944990 0.717924 0.327397 O\n0.555010 0.717924 0.827397 O\n0.444990 0.282076 0.172603 O\n0.876250 0.771297 0.774509 O\n0.123750 0.228703 0.225491 O\n0.376250 0.228703 0.725491 O\n0.623750 0.771297 0.274509 O\n0.190189 0.793294 0.875929 O\n0.809811 0.206706 0.124071 O\n0.690189 0.206706 0.624071 O\n0.309811 0.793294 0.375929 O\n0.053110 0.894159 0.656074 O\n0.946890 0.105841 0.343926 O\n0.553110 0.105841 0.843926 O\n0.446890 0.894159 0.156074 O\n0.392179 0.844847 0.701164 O\n0.607821 0.155153 0.298836 O\n0.892179 0.155153 0.798836 O\n0.107821 0.844847 0.201164 O\n0.992298 0.748217 0.997432 O\n0.007702 0.251783 0.002568 O\n0.492298 0.251783 0.502568 O\n0.507702 0.748217 0.497432 O\n0.268991 0.545640 0.542874 O\n0.731009 0.454360 0.457126 O\n0.768991 0.454360 0.957126 O\n0.231009 0.545640 0.042874 O\n",
"nsites": 64,
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"elements": [
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"Gd",
"H",
"C",
"S",
"O"
],
"chemical_system": "C-Gd-H-K-O-S",
"density": 3.296489393998695,
"density_atomic": 0.07971755874217935,
"volume": 802.8344195409608,
"volume_molar": 7.554346689763376,
"formula_full": "K4 Gd4 H8 C8 S4 O36",
"formula_reduced": "KGdH2C2SO9",
"formula_anonymous": "ABCD2E2F9",
"energy": -492.98357757,
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"updated_at": "2021-11-28T01:39:48.490000Z",
"spacegroup": 14
},
{
"id": "mp-1232176",
"created_at": "2022-09-04T14:42:09.657135Z",
"structure_string": "Ce8 Mg4 Se16\n1.0\n8.433083 0.000000 0.000000\n0.000000 7.666368 0.000000\n0.000000 0.000000 12.417972\nCe Mg Se\n8 4 16\ndirect\n0.043553 0.750000 0.313005 Ce\n0.956447 0.250000 0.686995 Ce\n0.456447 0.250000 0.813005 Ce\n0.543553 0.750000 0.186995 Ce\n0.068370 0.250000 0.030509 Ce\n0.931630 0.750000 0.969491 Ce\n0.431630 0.750000 0.530509 Ce\n0.568370 0.250000 0.469491 Ce\n0.183866 0.250000 0.413237 Mg\n0.816134 0.750000 0.586763 Mg\n0.316134 0.750000 0.913237 Mg\n0.683866 0.250000 0.086763 Mg\n0.144707 0.497283 0.843125 Se\n0.855293 0.502717 0.156875 Se\n0.355293 0.502717 0.343125 Se\n0.644707 0.497283 0.656875 Se\n0.644707 0.002717 0.656875 Se\n0.355293 0.997283 0.343125 Se\n0.855293 0.997283 0.156875 Se\n0.144707 0.002717 0.843125 Se\n0.898545 0.250000 0.451946 Se\n0.101455 0.750000 0.548054 Se\n0.601455 0.750000 0.951946 Se\n0.398545 0.250000 0.048054 Se\n0.212238 0.750000 0.109078 Se\n0.787762 0.250000 0.890922 Se\n0.287762 0.250000 0.609078 Se\n0.712238 0.750000 0.390922 Se\n",
"nsites": 28,
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"elements": [
"Ce",
"Mg",
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],
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"density": 5.13260761208048,
"density_atomic": 0.03487637333675233,
"volume": 802.8357687779971,
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"formula_full": "Ce8 Mg4 Se16",
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"updated_at": "2021-11-28T01:35:34.213000Z",
"spacegroup": 62
},
{
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"updated_at": "2021-11-28T01:34:42.526000Z",
"spacegroup": 63
}
]
}