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=energy_per_atom&page=12094",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12092",
"results": [
{
"id": "mp-780964",
"created_at": "2022-09-04T14:45:36.202118Z",
"structure_string": "Li4 Cr2 P4 O14\n1.0\n5.515163 0.000000 0.000000\n-1.819650 6.184099 0.000000\n-0.424375 -3.414401 8.291319\nLi Cr P O\n4 2 4 14\ndirect\n0.103465 0.787370 0.991265 Li\n0.307032 0.705093 0.759116 Li\n0.692968 0.294907 0.240884 Li\n0.896535 0.212630 0.008735 Li\n0.112685 0.857255 0.375668 Cr\n0.887315 0.142745 0.624332 Cr\n0.236385 0.361986 0.391170 P\n0.603466 0.932754 0.885554 P\n0.396534 0.067246 0.114446 P\n0.763615 0.638014 0.608830 P\n0.069723 0.236454 0.324432 O\n0.058357 0.467415 0.416168 O\n0.319506 0.833226 0.871464 O\n0.236553 0.137596 0.163163 O\n0.267529 0.198229 0.951738 O\n0.570655 0.860376 0.460141 O\n0.616430 0.320659 0.755671 O\n0.383570 0.679341 0.244329 O\n0.429345 0.139624 0.539859 O\n0.732471 0.801771 0.048262 O\n0.763447 0.862404 0.836837 O\n0.680494 0.166774 0.128536 O\n0.941643 0.532585 0.583832 O\n0.930277 0.763546 0.675568 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.8164928951283783,
"density_atomic": 0.08486973208797799,
"volume": 282.78632923126264,
"volume_molar": 7.095746165143193,
"formula_full": "Li4 Cr2 P4 O14",
"formula_reduced": "Li2CrP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -34.35309775,
"energy_per_atom": -1.4313790729166669,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.10109775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.9930004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.378000Z",
"spacegroup": 2
},
{
"id": "mp-974313",
"created_at": "2022-09-04T14:42:18.832293Z",
"structure_string": "Na2 Mg6\n1.0\n3.303747 -5.722257 0.000000\n3.303747 5.722257 0.000000\n0.000000 0.000000 5.375889\nNa Mg\n2 6\ndirect\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n0.162646 0.325293 0.250000 Mg\n0.162646 0.837354 0.250000 Mg\n0.674707 0.837354 0.250000 Mg\n0.325293 0.162646 0.750000 Mg\n0.837354 0.162646 0.750000 Mg\n0.837354 0.674707 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.5669851058966195,
"density_atomic": 0.03935822983836509,
"volume": 203.26117391087206,
"volume_molar": 15.300842504176392,
"formula_full": "Na2 Mg6",
"formula_reduced": "NaMg3",
"formula_anonymous": "AB3",
"energy": -11.4494092,
"energy_per_atom": -1.43117615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.4494092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000202,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.206000Z",
"spacegroup": 194
},
{
"id": "mp-10617",
"created_at": "2022-09-04T14:47:56.399157Z",
"structure_string": "Sr2\n1.0\n-3.726228 3.726228 1.999494\n3.726228 -3.726228 1.999494\n3.726228 3.726228 -1.999494\nSr\n2\ndirect\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.6203746873220624,
"density_atomic": 0.018009889541711673,
"volume": 111.05009807905344,
"volume_molar": 33.437966102193265,
"formula_full": "Sr2",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -2.86168915,
"energy_per_atom": -1.430844575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.86168915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074674,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.981000Z",
"spacegroup": 141
},
{
"id": "mp-1445771",
"created_at": "2022-09-04T14:41:26.692210Z",
"structure_string": "K4 P4 H4 O14\n1.0\n7.286679 0.000000 0.000000\n-1.391631 7.694273 0.000000\n-2.504059 -3.852822 7.844374\nK P H O\n4 4 4 14\ndirect\n0.726862 0.118845 0.097326 K\n0.273138 0.881155 0.902674 K\n0.761954 0.239727 0.458208 K\n0.238046 0.760273 0.541792 K\n0.364922 0.327283 0.316194 P\n0.635078 0.672717 0.683806 P\n0.241923 0.160753 0.087913 P\n0.758077 0.839247 0.912087 P\n0.593499 0.370743 0.781636 H\n0.406501 0.629257 0.218364 H\n0.764428 0.574381 0.098933 H\n0.235572 0.425619 0.901067 H\n0.332204 0.109286 0.604468 O\n0.667796 0.890714 0.395532 O\n0.402974 0.642418 0.761337 O\n0.597026 0.357582 0.238663 O\n0.317051 0.506359 0.342049 O\n0.682949 0.493641 0.657951 O\n0.256945 0.296785 0.204203 O\n0.743055 0.703215 0.795797 O\n0.473048 0.220252 0.951806 O\n0.526952 0.779748 0.048194 O\n0.133783 0.290977 0.989793 O\n0.866217 0.709023 0.010207 O\n0.228611 0.134842 0.490349 O\n0.771389 0.865158 0.509651 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"K",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P",
"density": 1.9192148884602778,
"density_atomic": 0.059117740526934796,
"volume": 439.8002996774558,
"volume_molar": 10.186689657491623,
"formula_full": "K4 P4 H4 O14",
"formula_reduced": "K2P2H2O7",
"formula_anonymous": "A2B2C2D7",
"energy": -37.1805252,
"energy_per_atom": -1.4300202,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.9265252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.395000Z",
"spacegroup": 2
},
{
"id": "mp-1026381",
"created_at": "2022-09-04T14:48:09.785101Z",
"structure_string": "K1 Na1 Mg14\n1.0\n6.681349 -0.000000 0.000000\n-3.340675 5.786217 -0.000000\n-0.000000 0.000000 10.405849\nK Na Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 K\n0.166667 0.333333 0.625000 Na\n0.171222 0.835610 0.125000 Mg\n0.168592 0.834295 0.625000 Mg\n0.664390 0.328778 0.125000 Mg\n0.665705 0.331408 0.625000 Mg\n0.664390 0.835610 0.125000 Mg\n0.665705 0.834295 0.625000 Mg\n0.339749 0.160251 0.381660 Mg\n0.339749 0.160251 0.868340 Mg\n0.339749 0.679498 0.381660 Mg\n0.339749 0.679498 0.868340 Mg\n0.820502 0.160251 0.381660 Mg\n0.820502 0.160251 0.868340 Mg\n0.833333 0.666667 0.373216 Mg\n0.833333 0.666667 0.876784 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Na",
"Mg"
],
"chemical_system": "K-Mg-Na",
"density": 1.6608309094380824,
"density_atomic": 0.03977256392167899,
"volume": 402.2873665250134,
"volume_molar": 15.141444669895893,
"formula_full": "K1 Na1 Mg14",
"formula_reduced": "KNaMg14",
"formula_anonymous": "ABC14",
"energy": -22.87090136,
"energy_per_atom": -1.429431335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.87090136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.99e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.188000Z",
"spacegroup": 187
},
{
"id": "mp-1094493",
"created_at": "2022-09-04T14:45:36.907070Z",
"structure_string": "Mg3 Zn3\n1.0\n1.518709 5.532022 0.000000\n-1.518709 5.532022 0.000000\n0.000000 1.855953 6.587230\nMg Zn\n3 3\ndirect\n0.999020 0.999020 0.016798 Mg\n0.667510 0.667510 0.647811 Mg\n0.278425 0.278425 0.946887 Mg\n0.608203 0.608203 0.283875 Zn\n0.336281 0.336281 0.333619 Zn\n0.943894 0.943894 0.604343 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.037748685347887,
"density_atomic": 0.05420757283160481,
"volume": 110.68564199763989,
"volume_molar": 11.109408603679253,
"formula_full": "Mg3 Zn3",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -8.57188419,
"energy_per_atom": -1.428647365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.57188419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.604000Z",
"spacegroup": 8
},
{
"id": "mp-1327009",
"created_at": "2022-09-04T14:47:03.841952Z",
"structure_string": "Bi26 Pt6 I14\n1.0\n9.332556 0.000000 0.000000\n4.666362 8.092772 0.000000\n2.062974 1.495579 21.640581\nBi Pt I\n26 6 14\ndirect\n0.265844 0.759847 0.623955 Bi\n0.734156 0.240153 0.376045 Bi\n0.925470 0.415545 0.627954 Bi\n0.074530 0.584455 0.372046 Bi\n0.486382 0.198617 0.624546 Bi\n0.513618 0.801383 0.375454 Bi\n0.096023 0.170319 0.781578 Bi\n0.903977 0.829681 0.218422 Bi\n0.488287 0.542182 0.627738 Bi\n0.511713 0.457818 0.372262 Bi\n0.219365 0.731301 0.782023 Bi\n0.780635 0.268699 0.217977 Bi\n0.929684 0.760029 0.623530 Bi\n0.070316 0.239971 0.376470 Bi\n0.435578 0.510296 0.784177 Bi\n0.564422 0.489704 0.215823 Bi\n0.149357 0.200047 0.624843 Bi\n0.850643 0.799953 0.375157 Bi\n0.878253 0.733753 0.779889 Bi\n0.121747 0.266247 0.220111 Bi\n0.439139 0.171147 0.780013 Bi\n0.560861 0.828853 0.219987 Bi\n0.880704 0.393012 0.783798 Bi\n0.119296 0.606988 0.216202 Bi\n0.739309 0.763776 0.996335 Bi\n0.260691 0.236224 0.003665 Bi\n0.182666 0.964667 0.703562 Pt\n0.817334 0.035333 0.296438 Pt\n0.682985 0.465488 0.704723 Pt\n0.317015 0.534512 0.295277 Pt\n0.182988 0.465712 0.705239 Pt\n0.817012 0.534288 0.294761 Pt\n0.749773 0.498651 0.500710 I\n0.250227 0.501349 0.499290 I\n0.746647 0.996307 0.509719 I\n0.253353 0.003693 0.490281 I\n0.125298 0.411763 0.919047 I\n0.874702 0.588237 0.080953 I\n0.680536 0.966075 0.711186 I\n0.319464 0.033925 0.288814 I\n0.109645 0.927338 0.924971 I\n0.890355 0.072662 0.075029 I\n0.606638 0.425945 0.925181 I\n0.393362 0.574055 0.074819 I\n0.614992 0.917651 0.912223 I\n0.385008 0.082349 0.087777 I\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Bi",
"Pt",
"I"
],
"chemical_system": "Bi-I-Pt",
"density": 8.514523270683386,
"density_atomic": 0.028144335914238223,
"volume": 1634.4318849864421,
"volume_molar": 21.397345378305403,
"formula_full": "Bi26 Pt6 I14",
"formula_reduced": "Bi13Pt3I7",
"formula_anonymous": "A3B7C13",
"energy": -65.71755862,
"energy_per_atom": -1.4286425786956523,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.41155862000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.579000Z",
"spacegroup": 2
},
{
"id": "mp-1097637",
"created_at": "2022-09-04T14:48:17.621472Z",
"structure_string": "Zn1 Cd1 Au2\n1.0\n-5.164011 5.754781 8.138677\n5.164011 -5.754781 8.138677\n5.164011 5.754781 -8.138677\nZn Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n0.000000 0.246190 0.246190 Au\n0.000000 0.753810 0.753810 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Zn",
"density": 0.981358956045918,
"density_atomic": 0.004134568840048938,
"volume": 967.4527513617732,
"volume_molar": 145.653416183747,
"formula_full": "Zn1 Cd1 Au2",
"formula_reduced": "ZnCdAu2",
"formula_anonymous": "ABC2",
"energy": -5.71212647,
"energy_per_atom": -1.4280316175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.71212647,
"band_gap": 1.0109999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.96e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:53.769000Z",
"spacegroup": 71
},
{
"id": "mp-976856",
"created_at": "2022-09-04T14:43:11.209226Z",
"structure_string": "Na1 Mg3\n1.0\n4.673527 0.000000 0.000000\n0.000000 4.673527 0.000000\n0.000000 0.000000 4.673527\nNa Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.560109330389898,
"density_atomic": 0.039185529822460534,
"volume": 102.07849729537821,
"volume_molar": 15.368276982051173,
"formula_full": "Na1 Mg3",
"formula_reduced": "NaMg3",
"formula_anonymous": "AB3",
"energy": -5.71149513,
"energy_per_atom": -1.4278737825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.71149513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.483000Z",
"spacegroup": 221
},
{
"id": "mp-1184792",
"created_at": "2022-09-04T14:45:27.351699Z",
"structure_string": "K6 Ac2\n1.0\n4.434988 -7.681624 0.000000\n4.434988 7.681624 0.000000\n0.000000 0.000000 7.327738\nK Ac\n6 2\ndirect\n0.168341 0.336683 0.250000 K\n0.663317 0.831659 0.250000 K\n0.168341 0.831659 0.250000 K\n0.831659 0.663317 0.750000 K\n0.336683 0.168341 0.750000 K\n0.831659 0.168341 0.750000 K\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Ac"
],
"chemical_system": "Ac-K",
"density": 2.29015174493554,
"density_atomic": 0.01602302697429155,
"volume": 499.2814411930874,
"volume_molar": 37.58428897150544,
"formula_full": "K6 Ac2",
"formula_reduced": "K3Ac",
"formula_anonymous": "AB3",
"energy": -11.42144375,
"energy_per_atom": -1.42768046875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.42144375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7763554,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.501000Z",
"spacegroup": 194
},
{
"id": "mp-1094429",
"created_at": "2022-09-04T14:42:13.575656Z",
"structure_string": "Mg3 Zn3\n1.0\n1.583574 -2.742831 0.000000\n1.583574 2.742831 0.000000\n0.000000 0.000000 13.177621\nMg Zn\n3 3\ndirect\n0.000000 0.000000 0.008617 Mg\n0.000000 0.000000 0.676649 Mg\n0.333333 0.666667 0.482654 Mg\n0.333333 0.666667 0.842968 Zn\n0.000000 0.000000 0.316684 Zn\n0.333333 0.666667 0.172428 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 3.9041469192073324,
"density_atomic": 0.0524139427587933,
"volume": 114.47335735858951,
"volume_molar": 11.48957785472013,
"formula_full": "Mg3 Zn3",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -8.56601995,
"energy_per_atom": -1.4276699916666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.56601995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.363000Z",
"spacegroup": 156
},
{
"id": "mp-1184898",
"created_at": "2022-09-04T14:44:27.216172Z",
"structure_string": "K3 Ga1\n1.0\n-2.883978 2.883978 5.649694\n2.883978 -2.883978 5.649694\n2.883978 2.883978 -5.649694\nK Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 1.6522032414569487,
"density_atomic": 0.021280958641114997,
"volume": 187.96145735051454,
"volume_molar": 28.29825884048838,
"formula_full": "K3 Ga1",
"formula_reduced": "K3Ga",
"formula_anonymous": "AB3",
"energy": -5.70253921,
"energy_per_atom": -1.4256348025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.70253921,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8654753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.546000Z",
"spacegroup": 139
}
]
}