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=-chemical_system&page=5",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=3",
"results": [
{
"id": "mp-1192854",
"created_at": "2022-09-04T14:41:59.841635Z",
"structure_string": "Y6 Zn23\n1.0\n0.000000 6.350293 6.350293\n6.350293 0.000000 6.350293\n6.350293 6.350293 0.000000\nY Zn\n6 23\ndirect\n0.708088 0.708088 0.291912 Y\n0.291912 0.708088 0.291912 Y\n0.708088 0.291912 0.291912 Y\n0.291912 0.291912 0.708088 Y\n0.708088 0.291912 0.708088 Y\n0.291912 0.708088 0.708088 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.877116 0.877116 0.368653 Zn\n0.877116 0.368653 0.877116 Zn\n0.368653 0.877116 0.877116 Zn\n0.877116 0.877116 0.877116 Zn\n0.122884 0.122884 0.631347 Zn\n0.122884 0.631347 0.122884 Zn\n0.631347 0.122884 0.122884 Zn\n0.122884 0.122884 0.122884 Zn\n0.671838 0.671838 0.984486 Zn\n0.671838 0.984486 0.671838 Zn\n0.984486 0.671838 0.671838 Zn\n0.671838 0.671838 0.671838 Zn\n0.328162 0.328162 0.015514 Zn\n0.328162 0.015514 0.328162 Zn\n0.015514 0.328162 0.328162 Zn\n0.328162 0.328162 0.328162 Zn\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 6.607061360184779,
"density_atomic": 0.056622196219592136,
"volume": 512.1666402258971,
"volume_molar": 10.635653793160795,
"formula_full": "Y6 Zn23",
"formula_reduced": "Y6Zn23",
"formula_anonymous": "A6B23",
"energy": -77.20872753,
"energy_per_atom": -2.6623699148275866,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.20872753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0200738,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.531000Z",
"spacegroup": 225
},
{
"id": "mp-1187506",
"created_at": "2022-09-04T14:44:56.763051Z",
"structure_string": "Yb1 Y1 Zn2\n1.0\n0.000000 3.587492 3.587492\n3.587492 0.000000 3.587492\n3.587492 3.587492 0.000000\nYb Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Y",
"Zn"
],
"chemical_system": "Y-Yb-Zn",
"density": 7.062814280176913,
"density_atomic": 0.04331688038159523,
"volume": 92.3427533276276,
"volume_molar": 13.902526467623296,
"formula_full": "Yb1 Y1 Zn2",
"formula_reduced": "YbYZn2",
"formula_anonymous": "ABC2",
"energy": -11.89783469,
"energy_per_atom": -2.9744586725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.89783469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0132877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.002000Z",
"spacegroup": 225
},
{
"id": "mp-1215548",
"created_at": "2022-09-04T14:42:04.470502Z",
"structure_string": "Yb4 Y1\n1.0\n15.641090 -1.876007 0.000000\n15.641090 1.876007 0.000000\n15.416080 0.000000 3.241540\nYb Y\n4 1\ndirect\n0.602583 0.602583 0.602583 Yb\n0.200496 0.200496 0.200496 Yb\n0.799504 0.799504 0.799504 Yb\n0.397417 0.397417 0.397417 Yb\n0.000000 0.000000 0.000000 Y\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Yb",
"Y"
],
"chemical_system": "Y-Yb",
"density": 6.817951335552024,
"density_atomic": 0.026283739489899142,
"volume": 190.2316830495715,
"volume_molar": 22.912039446724513,
"formula_full": "Yb4 Y1",
"formula_reduced": "Yb4Y",
"formula_anonymous": "AB4",
"energy": -12.33976654,
"energy_per_atom": -2.467953308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.33976654,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9311409,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.939000Z",
"spacegroup": 166
},
{
"id": "mp-1187547",
"created_at": "2022-09-04T14:41:32.515891Z",
"structure_string": "Yb1 Y3\n1.0\n-2.540158 2.540158 5.151317\n2.540158 -2.540158 5.151317\n2.540158 2.540158 -5.151317\nYb Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Y\n0.250000 0.750000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Y"
],
"chemical_system": "Y-Yb",
"density": 5.49240650036997,
"density_atomic": 0.03008570978967599,
"volume": 132.95348615549742,
"volume_molar": 20.016615204027918,
"formula_full": "Yb1 Y3",
"formula_reduced": "YbY3",
"formula_anonymous": "AB3",
"energy": -20.50222674,
"energy_per_atom": -5.125556685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.50222674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.008274,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.540000Z",
"spacegroup": 139
},
{
"id": "mp-980944",
"created_at": "2022-09-04T14:39:30.343540Z",
"structure_string": "Yb6 Y2\n1.0\n3.747928 -6.491601 0.000000\n3.747928 6.491601 0.000000\n0.000000 0.000000 6.122956\nYb Y\n6 2\ndirect\n0.170474 0.340949 0.250000 Yb\n0.659051 0.829526 0.250000 Yb\n0.170474 0.829526 0.250000 Yb\n0.829526 0.659051 0.750000 Yb\n0.340949 0.170474 0.750000 Yb\n0.829526 0.170474 0.750000 Yb\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Y"
],
"chemical_system": "Y-Yb",
"density": 6.777459713208183,
"density_atomic": 0.026850711299378893,
"volume": 297.94368986362963,
"volume_molar": 22.428235486407036,
"formula_full": "Yb6 Y2",
"formula_reduced": "Yb3Y",
"formula_anonymous": "AB3",
"energy": -21.22091543,
"energy_per_atom": -2.65261442875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.22091543,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.211732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.241000Z",
"spacegroup": 194
},
{
"id": "mp-1187996",
"created_at": "2022-09-04T14:44:53.490508Z",
"structure_string": "Yb6 Zr2\n1.0\n3.642172 -6.308428 0.000000\n3.642172 6.308428 0.000000\n0.000000 0.000000 5.804877\nYb Zr\n6 2\ndirect\n0.173923 0.347845 0.250000 Yb\n0.652155 0.826077 0.250000 Yb\n0.173923 0.826077 0.250000 Yb\n0.826077 0.652155 0.750000 Yb\n0.347845 0.173923 0.750000 Yb\n0.826077 0.173923 0.750000 Yb\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 7.598872422152114,
"density_atomic": 0.02999061470862095,
"volume": 266.7501175859647,
"volume_molar": 20.080084448115382,
"formula_full": "Yb6 Zr2",
"formula_reduced": "Yb3Zr",
"formula_anonymous": "AB3",
"energy": -23.56568961,
"energy_per_atom": -2.94571120125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.56568961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7858444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.142000Z",
"spacegroup": 194
},
{
"id": "mp-979940",
"created_at": "2022-09-04T14:42:59.149246Z",
"structure_string": "Yb3 Zr1\n1.0\n0.000000 4.008166 4.008166\n4.008166 0.000000 4.008166\n4.008166 4.008166 0.000000\nYb Zr\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Zr"
],
"chemical_system": "Yb-Zr",
"density": 7.86967291345757,
"density_atomic": 0.031059388172164252,
"volume": 128.78553749441986,
"volume_molar": 19.38911586609135,
"formula_full": "Yb3 Zr1",
"formula_reduced": "Yb3Zr",
"formula_anonymous": "AB3",
"energy": -11.69827717,
"energy_per_atom": -2.9245692925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.69827717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.507568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.006000Z",
"spacegroup": 225
},
{
"id": "mp-1104142",
"created_at": "2022-09-04T14:42:16.260972Z",
"structure_string": "Yb3 Zn11\n1.0\n4.377119 0.000000 0.000000\n2.188560 4.458629 6.550451\n2.188560 -4.458629 6.550451\nYb Zn\n3 11\ndirect\n0.000000 0.000000 0.000000 Yb\n0.704404 0.295596 0.295596 Yb\n0.295596 0.704404 0.704404 Yb\n0.000000 0.500000 0.500000 Zn\n0.500000 0.684586 0.315414 Zn\n0.500000 0.315414 0.684586 Zn\n0.662870 0.694136 0.980124 Zn\n0.337130 0.305864 0.019876 Zn\n0.662870 0.980124 0.694136 Zn\n0.337130 0.019876 0.305864 Zn\n0.865869 0.422434 0.845827 Zn\n0.134131 0.577566 0.154173 Zn\n0.865869 0.845827 0.422434 Zn\n0.134131 0.154173 0.577566 Zn\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 8.04444240853594,
"density_atomic": 0.054756684946155064,
"volume": 255.67654458568643,
"volume_molar": 10.998001003752996,
"formula_full": "Yb3 Zn11",
"formula_reduced": "Yb3Zn11",
"formula_anonymous": "A3B11",
"energy": -22.84537002,
"energy_per_atom": -1.6318121442857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.84537002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0269242,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.810000Z",
"spacegroup": 71
},
{
"id": "mp-568437",
"created_at": "2022-09-04T14:45:20.852032Z",
"structure_string": "Yb2 Zn17\n1.0\n5.103183 -4.535078 0.000000\n5.103183 4.535078 0.000000\n1.072966 0.000000 6.742266\nYb Zn\n2 17\ndirect\n0.663017 0.663017 0.663017 Yb\n0.336983 0.336983 0.336983 Yb\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.700823 0.299177 0.000000 Zn\n0.000000 0.700823 0.299177 Zn\n0.299177 0.000000 0.700823 Zn\n0.000000 0.299177 0.700823 Zn\n0.700823 0.000000 0.299177 Zn\n0.299177 0.700823 0.000000 Zn\n0.350497 0.350497 0.838189 Zn\n0.838189 0.350497 0.350497 Zn\n0.350497 0.838189 0.350497 Zn\n0.649503 0.649503 0.161811 Zn\n0.161811 0.649503 0.649503 Zn\n0.649503 0.161811 0.649503 Zn\n0.896121 0.896121 0.896121 Zn\n0.103879 0.103879 0.103879 Zn\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 7.758087426720259,
"density_atomic": 0.06088240773950804,
"volume": 312.0770137950778,
"volume_molar": 9.89143002649695,
"formula_full": "Yb2 Zn17",
"formula_reduced": "Yb2Zn17",
"formula_anonymous": "A2B17",
"energy": -28.59899635,
"energy_per_atom": -1.5052103342105263,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.59899635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002391,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.463000Z",
"spacegroup": 166
},
{
"id": "mp-1204970",
"created_at": "2022-09-04T14:44:02.532357Z",
"structure_string": "Yb26 Zn116\n1.0\n0.000000 0.000000 -13.984606\n-7.190817 -12.454786 -0.000000\n-7.190817 12.454786 0.000000\nYb Zn\n26 116\ndirect\n0.500000 -0.000000 -0.000000 Yb\n-0.000000 -0.000000 -0.000000 Yb\n0.750000 0.455769 0.911539 Yb\n0.750000 0.455772 0.544228 Yb\n0.750000 0.088461 0.544231 Yb\n0.250000 0.544231 0.088461 Yb\n0.250000 0.544228 0.455772 Yb\n0.250000 0.911539 0.455769 Yb\n0.750000 0.124122 0.248242 Yb\n0.750000 0.124118 0.875882 Yb\n0.750000 0.751758 0.875878 Yb\n0.250000 0.875878 0.751758 Yb\n0.250000 0.875882 0.124118 Yb\n0.250000 0.248242 0.124122 Yb\n0.553465 0.793070 0.586141 Yb\n0.553465 0.793070 0.206930 Yb\n0.553465 0.413859 0.206930 Yb\n0.446535 0.206930 0.413859 Yb\n0.446535 0.206930 0.793070 Yb\n0.446535 0.586141 0.793070 Yb\n0.053465 0.206930 0.413859 Yb\n0.053465 0.206930 0.793070 Yb\n0.053465 0.586141 0.793070 Yb\n0.946535 0.793070 0.586141 Yb\n0.946535 0.793070 0.206930 Yb\n0.946535 0.413859 0.206930 Yb\n0.750000 0.999999 0.000001 Zn\n0.250000 0.000001 0.999999 Zn\n0.250000 0.666666 0.333334 Zn\n0.750000 0.333334 0.666666 Zn\n0.594961 0.666667 0.333333 Zn\n0.405039 0.333333 0.666667 Zn\n0.094961 0.333333 0.666667 Zn\n0.905039 0.666667 0.333333 Zn\n0.500000 0.500000 -0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n-0.000000 0.500000 0.500000 Zn\n-0.000000 -0.000000 0.500000 Zn\n0.750000 0.729851 0.459698 Zn\n0.750000 0.729850 0.270150 Zn\n0.750000 0.540302 0.270149 Zn\n0.250000 0.270149 0.540302 Zn\n0.250000 0.270150 0.729850 Zn\n0.250000 0.459698 0.729851 Zn\n0.500000 0.800508 1.000000 Zn\n0.500000 0.199495 0.199495 Zn\n0.500000 1.000000 0.800508 Zn\n0.500000 0.199492 0.000000 Zn\n0.500000 0.000000 0.199492 Zn\n0.500000 0.800505 0.800505 Zn\n1.000000 0.199492 0.000000 Zn\n-0.000000 0.800505 0.800505 Zn\n0.000000 0.000000 0.199492 Zn\n0.000000 0.800508 1.000000 Zn\n1.000000 1.000000 0.800508 Zn\n-0.000000 0.199495 0.199495 Zn\n0.750000 0.913582 0.634575 Zn\n0.750000 0.720995 0.086417 Zn\n0.750000 0.365428 0.279009 Zn\n0.750000 0.720991 0.634572 Zn\n0.750000 0.365425 0.086418 Zn\n0.750000 0.913583 0.279005 Zn\n0.250000 0.086418 0.365425 Zn\n0.250000 0.279005 0.913583 Zn\n0.250000 0.634572 0.720991 Zn\n0.250000 0.279009 0.365428 Zn\n0.250000 0.634575 0.913582 Zn\n0.250000 0.086417 0.720995 Zn\n0.659248 0.900662 0.801326 Zn\n0.659248 0.900664 0.099336 Zn\n0.659248 0.198674 0.099338 Zn\n0.340752 0.099338 0.198674 Zn\n0.340752 0.099336 0.900664 Zn\n0.340752 0.801326 0.900662 Zn\n0.159248 0.099338 0.198674 Zn\n0.159248 0.099336 0.900664 Zn\n0.159248 0.801326 0.900662 Zn\n0.840752 0.900662 0.801326 Zn\n0.840752 0.900664 0.099336 Zn\n0.840752 0.198674 0.099338 Zn\n0.145742 0.436639 0.873281 Zn\n0.145742 0.436643 0.563357 Zn\n0.145742 0.126719 0.563361 Zn\n0.854258 0.563361 0.126719 Zn\n0.854258 0.563357 0.436643 Zn\n0.854258 0.873281 0.436639 Zn\n0.645742 0.563361 0.126719 Zn\n0.645742 0.563357 0.436643 Zn\n0.645742 0.873281 0.436639 Zn\n0.354258 0.436639 0.873281 Zn\n0.354258 0.436643 0.563357 Zn\n0.354258 0.126719 0.563361 Zn\n0.552331 0.398374 0.796754 Zn\n0.552334 0.398377 0.601623 Zn\n0.552331 0.203246 0.601626 Zn\n0.447669 0.601626 0.203246 Zn\n0.447666 0.601623 0.398377 Zn\n0.447669 0.796754 0.398374 Zn\n0.052331 0.601626 0.203246 Zn\n0.052334 0.601623 0.398377 Zn\n0.052331 0.796754 0.398374 Zn\n0.947669 0.398374 0.796754 Zn\n0.947666 0.398377 0.601623 Zn\n0.947669 0.203246 0.601626 Zn\n0.160652 0.764101 0.528201 Zn\n0.160655 0.764102 0.235898 Zn\n0.160652 0.471799 0.235899 Zn\n0.839348 0.235899 0.471799 Zn\n0.839345 0.235898 0.764102 Zn\n0.839348 0.528201 0.764101 Zn\n0.660652 0.235899 0.471799 Zn\n0.660655 0.235898 0.764102 Zn\n0.660652 0.528201 0.764101 Zn\n0.339348 0.764101 0.528201 Zn\n0.339345 0.764102 0.235898 Zn\n0.339348 0.471799 0.235899 Zn\n0.604254 0.634437 0.963974 Zn\n0.604254 0.329536 0.365562 Zn\n0.604254 0.036023 0.670462 Zn\n0.604254 0.329538 0.963977 Zn\n0.604254 0.036026 0.365563 Zn\n0.604254 0.634438 0.670464 Zn\n0.395746 0.365563 0.036026 Zn\n0.395746 0.670464 0.634438 Zn\n0.395746 0.963977 0.329538 Zn\n0.395746 0.670462 0.036023 Zn\n0.395746 0.963974 0.634437 Zn\n0.395746 0.365562 0.329536 Zn\n0.104254 0.365563 0.036026 Zn\n0.104254 0.670464 0.634438 Zn\n0.104254 0.963977 0.329538 Zn\n0.104254 0.670462 0.036023 Zn\n0.104254 0.963974 0.634437 Zn\n0.104254 0.365562 0.329536 Zn\n0.895746 0.634437 0.963974 Zn\n0.895746 0.329536 0.365562 Zn\n0.895746 0.036023 0.670462 Zn\n0.895746 0.329538 0.963977 Zn\n0.895746 0.036026 0.365563 Zn\n0.895746 0.634438 0.670464 Zn\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 8.012247233407093,
"density_atomic": 0.056688322706127794,
"volume": 2504.9250572490537,
"volume_molar": 10.623247385918916,
"formula_full": "Yb26 Zn116",
"formula_reduced": "Yb13Zn58",
"formula_anonymous": "A13B58",
"energy": -226.78686732,
"energy_per_atom": -1.5970906149295774,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -226.78686732,
"band_gap": 0.0762,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013892,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.725000Z",
"spacegroup": 194
},
{
"id": "mp-1703",
"created_at": "2022-09-04T14:45:06.391769Z",
"structure_string": "Yb1 Zn1\n1.0\n3.611772 0.000000 0.000000\n0.000000 3.611772 0.000000\n0.000000 0.000000 3.611772\nYb Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 8.40395314491253,
"density_atomic": 0.0424491516396358,
"volume": 47.11519365519078,
"volume_molar": 14.18671640631089,
"formula_full": "Yb1 Zn1",
"formula_reduced": "YbZn",
"formula_anonymous": "AB",
"energy": -3.45236542,
"energy_per_atom": -1.72618271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.45236542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012455,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.479000Z",
"spacegroup": 221
},
{
"id": "mp-1202230",
"created_at": "2022-09-04T14:39:23.628279Z",
"structure_string": "Yb12 Zn68\n1.0\n-7.061458 7.061458 7.061458\n7.061458 -7.061458 7.061458\n7.061458 7.061458 -7.061458\nYb Zn\n12 68\ndirect\n0.301962 0.117905 0.815944 Yb\n0.698038 0.882095 0.184056 Yb\n0.698038 0.513982 0.815944 Yb\n0.301962 0.486018 0.184056 Yb\n0.117905 0.815944 0.301962 Yb\n0.882095 0.184056 0.698038 Yb\n0.513982 0.815944 0.698038 Yb\n0.486018 0.184056 0.301962 Yb\n0.815944 0.301962 0.117905 Yb\n0.184056 0.698038 0.882095 Yb\n0.815944 0.698038 0.513982 Yb\n0.184056 0.301962 0.486018 Yb\n0.591082 0.000000 0.591082 Zn\n0.408918 0.000000 0.408918 Zn\n0.000000 0.591082 0.591082 Zn\n0.000000 0.408918 0.408918 Zn\n0.591082 0.591082 0.000000 Zn\n0.408918 0.408918 0.000000 Zn\n0.306190 0.500000 0.806190 Zn\n0.693810 0.500000 0.193810 Zn\n0.500000 0.806190 0.306190 Zn\n0.500000 0.193810 0.693810 Zn\n0.806190 0.306190 0.500000 Zn\n0.193810 0.693810 0.500000 Zn\n0.000000 0.000000 0.674285 Zn\n0.674285 0.000000 0.000000 Zn\n0.000000 0.674285 0.000000 Zn\n0.325715 0.325715 0.325715 Zn\n0.000000 0.000000 0.325715 Zn\n0.325715 0.000000 0.000000 Zn\n0.000000 0.325715 0.000000 Zn\n0.674285 0.674285 0.674285 Zn\n0.092086 0.857904 0.765818 Zn\n0.907914 0.142096 0.234182 Zn\n0.907914 0.673732 0.765818 Zn\n0.092086 0.326268 0.234182 Zn\n0.857904 0.765818 0.092086 Zn\n0.142096 0.234182 0.907914 Zn\n0.673732 0.765818 0.907914 Zn\n0.326268 0.234182 0.092086 Zn\n0.765818 0.092086 0.857904 Zn\n0.234182 0.907914 0.142096 Zn\n0.765818 0.907914 0.673732 Zn\n0.234182 0.092086 0.326268 Zn\n0.348576 0.944942 0.596366 Zn\n0.651424 0.055058 0.403634 Zn\n0.651424 0.247789 0.596366 Zn\n0.348576 0.752211 0.403634 Zn\n0.944942 0.596366 0.348576 Zn\n0.055058 0.403634 0.651424 Zn\n0.247789 0.596366 0.651424 Zn\n0.752211 0.403634 0.348576 Zn\n0.596366 0.348576 0.944942 Zn\n0.403634 0.651424 0.055058 Zn\n0.596366 0.651424 0.247789 Zn\n0.403634 0.348576 0.752211 Zn\n0.138713 0.228083 0.683980 Zn\n0.455898 0.771917 0.910630 Zn\n0.861287 0.545268 0.089370 Zn\n0.544102 0.454732 0.316020 Zn\n0.228083 0.683980 0.138713 Zn\n0.771917 0.910630 0.455898 Zn\n0.545268 0.089370 0.861287 Zn\n0.454732 0.316020 0.544102 Zn\n0.683980 0.138713 0.228083 Zn\n0.910630 0.455898 0.771917 Zn\n0.089370 0.861287 0.545268 Zn\n0.316020 0.544102 0.454732 Zn\n0.861287 0.771917 0.316020 Zn\n0.544102 0.228083 0.089370 Zn\n0.138713 0.454732 0.910630 Zn\n0.455898 0.545268 0.683980 Zn\n0.771917 0.316020 0.861287 Zn\n0.228083 0.089370 0.544102 Zn\n0.454732 0.910630 0.138713 Zn\n0.545268 0.683980 0.455898 Zn\n0.316020 0.861287 0.771917 Zn\n0.089370 0.544102 0.228083 Zn\n0.910630 0.138713 0.454732 Zn\n0.683980 0.455898 0.545268 Zn\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 7.692001407517473,
"density_atomic": 0.05679980628481539,
"volume": 1408.4555077327236,
"volume_molar": 10.602396652204662,
"formula_full": "Yb12 Zn68",
"formula_reduced": "Yb3Zn17",
"formula_anonymous": "A3B17",
"energy": -122.17548108,
"energy_per_atom": -1.5271935134999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.17548108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3790034,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.988000Z",
"spacegroup": 204
}
]
}