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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=25",
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"results": [
{
"id": "mp-1793",
"created_at": "2022-09-04T14:47:06.107373Z",
"structure_string": "Zr12 Te4\n1.0\n-5.704528 5.704528 2.841869\n5.704528 -5.704528 2.841869\n5.704528 5.704528 -2.841869\nZr Te\n12 4\ndirect\n0.871439 0.686100 0.978966 Zr\n0.313900 0.292866 0.185339 Zr\n0.107527 0.128561 0.814661 Zr\n0.707134 0.892473 0.021034 Zr\n0.381484 0.004787 0.339327 Zr\n0.995213 0.334540 0.376697 Zr\n0.957843 0.618516 0.623303 Zr\n0.665460 0.042157 0.660673 Zr\n0.421960 0.018202 0.969501 Zr\n0.981798 0.951299 0.403758 Zr\n0.547541 0.578040 0.596242 Zr\n0.048701 0.452459 0.030499 Zr\n0.812043 0.491939 0.256509 Te\n0.508061 0.764570 0.320104 Te\n0.444465 0.187957 0.679896 Te\n0.235430 0.555535 0.743491 Te\n",
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"spacegroup": 82
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{
"id": "mp-1319",
"created_at": "2022-09-04T14:46:53.776428Z",
"structure_string": "Zr2 Te2\n1.0\n1.867965 -3.235410 0.000000\n1.867965 3.235410 0.000000\n0.000000 0.000000 8.155712\nZr Te\n2 2\ndirect\n0.666667 0.333333 0.750000 Zr\n0.333333 0.666667 0.250000 Zr\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
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"formula_full": "Zr2 Te2",
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"updated_at": "2021-11-28T01:37:36.871000Z",
"spacegroup": 194
},
{
"id": "mp-571195",
"created_at": "2022-09-04T14:41:19.907477Z",
"structure_string": "Zn3 Te3\n1.0\n2.186317 -3.786812 0.000000\n2.186317 3.786812 0.000000\n0.000000 0.000000 10.704962\nZn Te\n3 3\ndirect\n0.660588 0.639363 0.693165 Zn\n0.978775 0.339412 0.359832 Zn\n0.360637 0.021225 0.026499 Zn\n0.647043 0.670733 0.443502 Te\n0.329267 0.976309 0.776835 Te\n0.023691 0.352957 0.110168 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 5.424327600796479,
"density_atomic": 0.03384926542455344,
"volume": 177.2564315575293,
"volume_molar": 17.791053024245794,
"formula_full": "Zn3 Te3",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -17.291991940000003,
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"band_gap": 1.069,
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"updated_at": "2021-11-28T01:35:09.167000Z",
"spacegroup": 144
},
{
"id": "mp-948",
"created_at": "2022-09-04T14:42:22.873292Z",
"structure_string": "Zn1 Te1\n1.0\n0.000000 2.885256 2.885256\n2.885256 0.000000 2.885256\n2.885256 2.885256 0.000000\nZn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"chemical_system": "Te-Zn",
"density": 6.671808985491392,
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"volume": 48.03779385806172,
"volume_molar": 14.464517820655555,
"formula_full": "Zn1 Te1",
"formula_reduced": "ZnTe",
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"energy": -5.1942714,
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"band_gap": 0.0,
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"total_magnetization": 1.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.693000Z",
"spacegroup": 225
},
{
"id": "mp-1206914",
"created_at": "2022-09-04T14:39:10.661001Z",
"structure_string": "Zn1 Te2\n1.0\n-2.093124 -3.625398 0.000000\n-2.093124 3.625398 0.000000\n0.000000 0.000000 -5.199143\nZn Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.666667 0.333333 0.716003 Te\n0.333333 0.666667 0.283997 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"chemical_system": "Te-Zn",
"density": 6.747026259379396,
"density_atomic": 0.03801971422459169,
"volume": 78.90643212829721,
"volume_molar": 15.839521371533074,
"formula_full": "Zn1 Te2",
"formula_reduced": "ZnTe2",
"formula_anonymous": "AB2",
"energy": -8.54335628,
"energy_per_atom": -2.8477854266666665,
"energy_above_hull": null,
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"energy_uncorrected": -7.69935628,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.359000Z",
"spacegroup": 164
},
{
"id": "mp-9281",
"created_at": "2022-09-04T14:43:59.293865Z",
"structure_string": "Zn3 Te3\n1.0\n2.174514 -3.766369 0.000000\n2.174514 3.766369 0.000000\n0.000000 0.000000 9.775960\nZn Te\n3 3\ndirect\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.333333 Zn\n0.500000 0.500000 0.666667 Zn\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.833333 Te\n0.500000 0.500000 0.166667 Te\n",
"nsites": 6,
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"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 6.004452679060092,
"density_atomic": 0.0374694021859654,
"volume": 160.13065728194002,
"volume_molar": 16.072155969052698,
"formula_full": "Zn3 Te3",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -16.41336608,
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"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.3205999999999998,
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"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.995000Z",
"spacegroup": 181
},
{
"id": "mp-8884",
"created_at": "2022-09-04T14:46:11.043267Z",
"structure_string": "Zn2 Te2\n1.0\n2.182745 -3.780624 0.000000\n2.182745 3.780624 0.000000\n0.000000 0.000000 7.179232\nZn Te\n2 2\ndirect\n0.333333 0.666667 0.000482 Zn\n0.666667 0.333333 0.500482 Zn\n0.333333 0.666667 0.374518 Te\n0.666667 0.333333 0.874518 Te\n",
"nsites": 4,
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"elements": [
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"density": 5.4098121015761915,
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"volume": 118.4880283039847,
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"formula_full": "Zn2 Te2",
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"total_magnetization": 5.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.546000Z",
"spacegroup": 186
},
{
"id": "mp-541441",
"created_at": "2022-09-04T14:46:18.772385Z",
"structure_string": "Zn2 Te2\n1.0\n2.770696 -3.357717 0.000000\n2.770696 3.357717 0.000000\n0.000000 0.000000 5.434806\nZn Te\n2 2\ndirect\n0.630296 0.369704 0.250000 Zn\n0.369704 0.630296 0.750000 Zn\n0.225043 0.774957 0.250000 Te\n0.774957 0.225043 0.750000 Te\n",
"nsites": 4,
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"density": 6.338837881636161,
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"volume": 101.12231632675017,
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"formula_full": "Zn2 Te2",
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"energy": -10.48024535,
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"energy_above_hull": null,
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"total_magnetization": 2.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.953000Z",
"spacegroup": 63
},
{
"id": "mp-2176",
"created_at": "2022-09-04T14:46:20.658655Z",
"structure_string": "Zn1 Te1\n1.0\n0.000000 3.092413 3.092413\n3.092413 0.000000 3.092413\n3.092413 3.092413 0.000000\nZn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Te\n",
"nsites": 2,
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"elements": [
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"volume": 59.14560337032898,
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"formula_full": "Zn1 Te1",
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"updated_at": "2021-11-28T01:37:23.789000Z",
"spacegroup": 216
},
{
"id": "mp-1071319",
"created_at": "2022-09-04T14:44:48.163261Z",
"structure_string": "Zn3 Te3\n1.0\n2.175884 -3.768741 0.000000\n2.175884 3.768741 0.000000\n0.000000 0.000000 9.780184\nZn Te\n3 3\ndirect\n0.523145 0.000000 0.833333 Zn\n0.476855 0.476855 0.500000 Zn\n0.000000 0.523145 0.166667 Zn\n0.508394 0.000000 0.333333 Te\n0.491606 0.491606 0.000000 Te\n0.000000 0.508394 0.666667 Te\n",
"nsites": 6,
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"updated_at": "2021-11-28T01:36:44.764000Z",
"spacegroup": 152
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{
"id": "mp-1189945",
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"structure_string": "Yb8 Te12\n1.0\n0.000000 6.245738 13.058695\n4.474316 0.000000 13.058695\n4.474316 6.245738 0.000000\nYb Te\n8 12\ndirect\n0.333738 0.333738 0.166262 Yb\n0.166262 0.166262 0.333738 Yb\n0.916262 0.916262 0.083738 Yb\n0.083738 0.083738 0.916262 Yb\n0.998170 0.998170 0.501830 Yb\n0.501830 0.501830 0.998170 Yb\n0.251830 0.251830 0.748170 Yb\n0.748170 0.748170 0.251830 Yb\n0.991252 0.508748 0.508748 Te\n0.508748 0.991252 0.991252 Te\n0.258748 0.741252 0.741252 Te\n0.741252 0.258748 0.258748 Te\n0.664573 0.167362 0.831028 Te\n0.831028 0.337037 0.664573 Te\n0.337037 0.831028 0.167362 Te\n0.167362 0.664573 0.337037 Te\n0.585427 0.082638 0.418972 Te\n0.418972 0.912963 0.585427 Te\n0.912963 0.418972 0.082638 Te\n0.082638 0.585427 0.912963 Te\n",
"nsites": 20,
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"elements": [
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"volume": 729.8610532429688,
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"formula_full": "Yb8 Te12",
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"updated_at": "2021-11-28T01:37:21.221000Z",
"spacegroup": 70
},
{
"id": "mp-1077459",
"created_at": "2022-09-04T14:43:07.171170Z",
"structure_string": "Yb2 Te4\n1.0\n4.381886 0.000000 0.000000\n0.000000 4.381886 0.000000\n0.000000 0.000000 9.481903\nYb Te\n2 4\ndirect\n0.000000 0.500000 0.712603 Yb\n0.500000 0.000000 0.287397 Yb\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500000 0.367854 Te\n0.500000 0.000000 0.632146 Te\n",
"nsites": 6,
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"density": 7.811755933860036,
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"volume": 182.06130757323913,
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"formula_full": "Yb2 Te4",
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"updated_at": "2021-11-28T01:36:07.712000Z",
"spacegroup": 129
}
]
}