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=12183",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12181",
"results": [
{
"id": "mp-971769",
"created_at": "2022-09-04T14:42:51.133342Z",
"structure_string": "Tm4\n1.0\n1.752383 -3.035216 0.000000\n1.752383 3.035216 0.000000\n0.000000 0.000000 11.301223\nTm\n4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.333333 0.666667 0.250000 Tm\n0.000000 0.000000 0.500000 Tm\n0.666667 0.333333 0.750000 Tm\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.333673812679399,
"density_atomic": 0.033272536999643665,
"volume": 120.21926671966247,
"volume_molar": 18.099433656244774,
"formula_full": "Tm4",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -17.86104114,
"energy_per_atom": -4.465260285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.86104114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.642000Z",
"spacegroup": 194
},
{
"id": "mp-10660",
"created_at": "2022-09-04T14:41:03.979800Z",
"structure_string": "Tm1\n1.0\n0.000000 2.466474 2.466474\n2.466474 0.000000 2.466474\n2.466474 2.466474 0.000000\nTm\n1\ndirect\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.347749844983595,
"density_atomic": 0.03332271502332962,
"volume": 30.009559524183082,
"volume_molar": 18.072179160022916,
"formula_full": "Tm1",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -4.44439962,
"energy_per_atom": -4.44439962,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.44439962,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.174000Z",
"spacegroup": 225
},
{
"id": "mp-10661",
"created_at": "2022-09-04T14:40:43.658976Z",
"structure_string": "Tm1\n1.0\n-1.970482 1.970482 1.970482\n1.970482 -1.970482 1.970482\n1.970482 1.970482 -1.970482\nTm\n1\ndirect\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.166199288685815,
"density_atomic": 0.032675526389683796,
"volume": 30.603944618187285,
"volume_molar": 18.43012623019683,
"formula_full": "Tm1",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -4.33507765,
"energy_per_atom": -4.33507765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.33507765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0308901,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.036000Z",
"spacegroup": 229
},
{
"id": "mp-1018122",
"created_at": "2022-09-04T14:47:14.980628Z",
"structure_string": "Tm3\n1.0\n8.477536 -1.755817 0.000000\n8.477536 1.755817 0.000000\n8.113881 0.000000 3.019344\nTm\n3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.778010 0.778010 0.778010 Tm\n0.221990 0.221990 0.221990 Tm\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.362600091003332,
"density_atomic": 0.033375652952173276,
"volume": 89.88588191215158,
"volume_molar": 18.043514440390492,
"formula_full": "Tm3",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -13.427506270000002,
"energy_per_atom": -4.475835423333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.427506270000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050486,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.333000Z",
"spacegroup": 166
},
{
"id": "mp-1187774",
"created_at": "2022-09-04T14:46:26.288283Z",
"structure_string": "Tm2 U6\n1.0\n6.369303 0.000000 0.000000\n-3.184652 5.515978 0.000000\n0.000000 0.000000 5.345696\nTm U\n2 6\ndirect\n0.333334 0.666668 0.750000 Tm\n0.666668 0.333334 0.249999 Tm\n0.147290 0.294579 0.249999 U\n0.705421 0.852710 0.249999 U\n0.147291 0.852710 0.249999 U\n0.852710 0.705420 0.750000 U\n0.294581 0.147292 0.750000 U\n0.852711 0.147292 0.750000 U\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"U"
],
"chemical_system": "Tm-U",
"density": 15.614619407749872,
"density_atomic": 0.042596242856842555,
"volume": 187.8099912916357,
"volume_molar": 14.137727546157555,
"formula_full": "Tm2 U6",
"formula_reduced": "TmU3",
"formula_anonymous": "AB3",
"energy": -72.59272166,
"energy_per_atom": -9.0740902075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.59272166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7699487,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.106000Z",
"spacegroup": 194
},
{
"id": "mp-971833",
"created_at": "2022-09-04T14:45:01.853003Z",
"structure_string": "Tm3 V1\n1.0\n-2.525327 2.525327 4.105209\n2.525327 -2.525327 4.105209\n2.525327 2.525327 -4.105209\nTm V\n3 1\ndirect\n0.750000 0.250000 0.500000 Tm\n0.250000 0.750000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"V"
],
"chemical_system": "Tm-V",
"density": 8.84409904952976,
"density_atomic": 0.03819702012107673,
"volume": 104.72021082589217,
"volume_molar": 15.765996250259963,
"formula_full": "Tm3 V1",
"formula_reduced": "Tm3V",
"formula_anonymous": "AB3",
"energy": -21.32045036,
"energy_per_atom": -5.33011259,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.32045036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5690328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.248000Z",
"spacegroup": 139
},
{
"id": "mp-981249",
"created_at": "2022-09-04T14:40:59.987749Z",
"structure_string": "Y6 Tm2\n1.0\n3.621871 -6.273264 0.000000\n3.621871 6.273264 0.000000\n0.000000 0.000000 5.721691\nY Tm\n6 2\ndirect\n0.167571 0.335142 0.250000 Y\n0.664858 0.832429 0.250000 Y\n0.167571 0.832429 0.250000 Y\n0.832429 0.664858 0.750000 Y\n0.335142 0.167571 0.750000 Y\n0.832429 0.167571 0.750000 Y\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Tm"
],
"chemical_system": "Tm-Y",
"density": 5.564647106026676,
"density_atomic": 0.030768693016458838,
"volume": 260.0045440903397,
"volume_molar": 19.57229953439565,
"formula_full": "Y6 Tm2",
"formula_reduced": "Y3Tm",
"formula_anonymous": "AB3",
"energy": -47.70308788,
"energy_per_atom": -5.962885985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.70308788,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7526893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.671000Z",
"spacegroup": 194
},
{
"id": "mp-1187880",
"created_at": "2022-09-04T14:43:03.507825Z",
"structure_string": "Y2 Tm6\n1.0\n3.584643 -6.208785 0.000000\n3.584643 6.208785 0.000000\n0.000000 0.000000 5.586044\nY Tm\n2 6\ndirect\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n0.165650 0.331300 0.250000 Tm\n0.668700 0.834350 0.250000 Tm\n0.165650 0.834350 0.250000 Tm\n0.834350 0.668700 0.750000 Tm\n0.331300 0.165650 0.750000 Tm\n0.834350 0.165650 0.750000 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Tm"
],
"chemical_system": "Tm-Y",
"density": 7.956571985385947,
"density_atomic": 0.03217385556077727,
"volume": 248.64909289120746,
"volume_molar": 18.717497965464585,
"formula_full": "Y2 Tm6",
"formula_reduced": "YTm3",
"formula_anonymous": "AB3",
"energy": -39.72374205,
"energy_per_atom": -4.96546775625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.72374205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9739814,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.147000Z",
"spacegroup": 194
},
{
"id": "mp-1187987",
"created_at": "2022-09-04T14:40:59.991534Z",
"structure_string": "Yb6 Tm2\n1.0\n3.745614 -6.487594 0.000000\n3.745614 6.487594 0.000000\n0.000000 0.000000 6.060171\nYb Tm\n6 2\ndirect\n0.170784 0.341568 0.250000 Yb\n0.658432 0.829216 0.250000 Yb\n0.170784 0.829216 0.250000 Yb\n0.829216 0.658432 0.750000 Yb\n0.341568 0.170784 0.750000 Yb\n0.829216 0.170784 0.750000 Yb\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Tm"
],
"chemical_system": "Tm-Yb",
"density": 7.758543367803331,
"density_atomic": 0.027162418071461313,
"volume": 294.5245883099541,
"volume_molar": 22.170856601044925,
"formula_full": "Yb6 Tm2",
"formula_reduced": "Yb3Tm",
"formula_anonymous": "AB3",
"energy": -17.10637912,
"energy_per_atom": -2.13829739,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.10637912,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1413585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.389000Z",
"spacegroup": 194
},
{
"id": "mp-980196",
"created_at": "2022-09-04T14:48:13.664957Z",
"structure_string": "Yb1 Tm3\n1.0\n-2.498882 2.498882 5.039909\n2.498882 -2.498882 5.039909\n2.498882 2.498882 -5.039909\nYb Tm\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Tm\n0.250000 0.750000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Tm"
],
"chemical_system": "Tm-Yb",
"density": 8.967746178063003,
"density_atomic": 0.03177501817025532,
"volume": 125.88505783277287,
"volume_molar": 18.952438446242468,
"formula_full": "Yb1 Tm3",
"formula_reduced": "YbTm3",
"formula_anonymous": "AB3",
"energy": -14.44926589,
"energy_per_atom": -3.6123164725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.44926589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0422773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.049000Z",
"spacegroup": 139
},
{
"id": "mp-1187507",
"created_at": "2022-09-04T14:42:04.612184Z",
"structure_string": "Yb1 Tm1 Zn2\n1.0\n0.000000 3.557345 3.557345\n3.557345 0.000000 3.557345\n3.557345 3.557345 0.000000\nYb Tm Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Tm",
"Zn"
],
"chemical_system": "Tm-Yb-Zn",
"density": 8.719899017769299,
"density_atomic": 0.044427516533015333,
"volume": 90.0342920817437,
"volume_molar": 13.554979503580348,
"formula_full": "Yb1 Tm1 Zn2",
"formula_reduced": "YbTmZn2",
"formula_anonymous": "ABC2",
"energy": -9.87242971,
"energy_per_atom": -2.4681074275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.87242971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0163824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.658000Z",
"spacegroup": 225
},
{
"id": "mp-1187863",
"created_at": "2022-09-04T14:39:05.280043Z",
"structure_string": "Y1 Tm1 Zn2\n1.0\n0.000000 3.559302 3.559302\n3.559302 0.000000 3.559302\n3.559302 3.559302 0.000000\nY Tm Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Tm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tm",
"Zn"
],
"chemical_system": "Tm-Y-Zn",
"density": 7.1563613985951475,
"density_atomic": 0.044354274486589795,
"volume": 90.18296536919732,
"volume_molar": 13.577362790187792,
"formula_full": "Y1 Tm1 Zn2",
"formula_reduced": "YTmZn2",
"formula_anonymous": "ABC2",
"energy": -14.90242845,
"energy_per_atom": -3.7256071125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.90242845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.034000Z",
"spacegroup": 225
}
]
}