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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=64",
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"results": [
{
"id": "mp-1933075",
"created_at": "2022-09-04T14:41:53.485798Z",
"structure_string": "Mg2 Sn4 O10\n1.0\n3.419085 0.010727 -0.022307\n0.015967 5.198429 0.004658\n-0.071399 0.006574 12.706756\nMg Sn O\n2 4 10\ndirect\n0.744896 0.895815 0.251041 Mg\n0.253832 0.105104 0.748489 Mg\n0.251637 0.399497 0.107062 Sn\n0.743573 0.601978 0.893116 Sn\n0.755864 0.601817 0.606661 Sn\n0.248132 0.398376 0.393215 Sn\n0.755307 0.411520 0.749811 O\n0.247350 0.589355 0.250141 O\n0.748820 0.590736 0.068982 O\n0.246319 0.411292 0.931227 O\n0.747578 0.589989 0.430707 O\n0.256281 0.410497 0.568829 O\n0.231071 0.039025 0.355085 O\n0.774914 0.961191 0.644461 O\n0.717143 0.960200 0.853263 O\n0.267728 0.040635 0.146168 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.025226565876102,
"density_atomic": 0.070847347823214,
"volume": 225.83767059177623,
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"formula_full": "Mg2 Sn4 O10",
"formula_reduced": "MgSn2O5",
"formula_anonymous": "AB2C5",
"energy": -101.39972777,
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"total_magnetization": 9.12e-05,
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"updated_at": "2021-11-28T01:35:34.797000Z",
"spacegroup": 13
},
{
"id": "mp-1177536",
"created_at": "2022-09-04T14:41:53.489518Z",
"structure_string": "Li3 Ni3 Te1 O8\n1.0\n5.223409 -2.999786 0.000000\n5.223409 2.999786 0.000000\n3.500642 0.000000 4.901859\nLi Ni Te O\n3 3 1 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Te\n0.737157 0.737157 0.737157 O\n0.229373 0.229373 0.766468 O\n0.229373 0.766468 0.229373 O\n0.262843 0.262843 0.262843 O\n0.766468 0.229373 0.229373 O\n0.770627 0.770627 0.233532 O\n0.770627 0.233532 0.770627 O\n0.233532 0.770627 0.770627 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Te",
"O"
],
"chemical_system": "Li-Ni-O-Te",
"density": 4.891375770819075,
"density_atomic": 0.09764637867925785,
"volume": 153.61552781461538,
"volume_molar": 6.167295542808726,
"formula_full": "Li3 Ni3 Te1 O8",
"formula_reduced": "Li3Ni3TeO8",
"formula_anonymous": "AB3C3D8",
"energy": -90.39783575,
"energy_per_atom": -6.026522383333333,
"energy_above_hull": null,
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"energy_uncorrected": -77.27883575,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 5.0003273,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.491000Z",
"spacegroup": 166
},
{
"id": "mp-1639944",
"created_at": "2022-09-04T14:41:53.497086Z",
"structure_string": "Mn6 Sb2 P8 O32\n1.0\n5.042287 0.085711 6.155777\n-4.867962 9.969746 0.001298\n-5.042140 -0.084066 6.155609\nMn Sb P O\n6 2 8 32\ndirect\n0.326175 0.789602 0.923861 Mn\n0.773984 0.709385 0.980218 Mn\n0.270078 0.709306 0.476070 Mn\n0.706960 0.218927 0.045168 Mn\n0.204564 0.218702 0.543224 Mn\n0.807021 0.783715 0.443061 Mn\n0.747568 0.284169 0.502435 Sb\n0.239947 0.287418 0.010235 Sb\n0.484750 0.605961 0.765211 P\n0.979597 0.602817 0.270251 P\n0.380831 0.100610 0.869170 P\n0.855512 0.085896 0.394485 P\n0.113697 0.890669 0.636415 P\n0.613670 0.890792 0.136187 P\n0.024638 0.412950 0.706446 P\n0.543508 0.412992 0.225475 P\n0.446170 0.455937 0.803750 O\n0.938102 0.446904 0.311953 O\n0.674855 0.384435 0.090055 O\n0.159972 0.384289 0.575155 O\n0.953307 0.866928 0.802193 O\n0.447667 0.866892 0.296463 O\n0.753740 0.937682 0.496240 O\n0.295451 0.949525 0.954560 O\n0.710480 0.039118 0.039513 O\n0.210636 0.039018 0.539541 O\n0.547936 0.132063 0.702142 O\n0.014346 0.110598 0.235859 O\n0.836769 0.621172 0.413289 O\n0.339948 0.623790 0.910113 O\n0.073522 0.563561 0.666850 O\n0.582809 0.563589 0.176620 O\n0.481838 0.674664 0.567907 O\n0.978334 0.665703 0.071784 O\n0.682053 0.674670 0.767822 O\n0.178166 0.665768 0.270938 O\n0.241954 0.168177 0.812988 O\n0.721214 0.166353 0.337551 O\n0.436998 0.168150 0.008100 O\n0.912392 0.166198 0.528959 O\n0.048703 0.822475 0.500334 O\n0.553055 0.820021 0.999762 O\n0.250113 0.819910 0.697225 O\n0.749668 0.822572 0.201325 O\n0.817212 0.350508 0.696972 O\n0.339582 0.337355 0.252830 O\n0.997307 0.337426 0.910424 O\n0.553194 0.350635 0.432873 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sb",
"density": 3.547195976304837,
"density_atomic": 0.07692606372499142,
"volume": 623.9757720036046,
"volume_molar": 7.828479020490362,
"formula_full": "Mn6 Sb2 P8 O32",
"formula_reduced": "Mn3Sb(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy": -380.0663241900001,
"energy_per_atom": -7.918048420625002,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -348.07432419,
"band_gap": 0.2358000000000002,
"is_gap_direct": true,
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"total_magnetization": 26.0039471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.957000Z",
"spacegroup": 8
},
{
"id": "mp-1179514",
"created_at": "2022-09-04T14:41:53.557388Z",
"structure_string": "Sm10 Pb6\n1.0\n4.630376 -8.020047 0.000000\n4.630376 8.020047 0.000000\n0.000000 0.000000 6.806643\nSm Pb\n10 6\ndirect\n0.666667 0.333333 0.500000 Sm\n0.333333 0.666667 0.500000 Sm\n0.333333 0.666667 0.000000 Sm\n0.666667 0.333333 0.000000 Sm\n0.760576 0.760576 0.250000 Sm\n0.239424 0.000000 0.250000 Sm\n0.000000 0.239424 0.250000 Sm\n0.239424 0.239424 0.750000 Sm\n0.760576 0.000000 0.750000 Sm\n0.000000 0.760576 0.750000 Sm\n0.394562 0.394562 0.250000 Pb\n0.605438 0.000000 0.250000 Pb\n0.000000 0.605438 0.250000 Pb\n0.605438 0.605438 0.750000 Pb\n0.394562 0.000000 0.750000 Pb\n0.000000 0.394562 0.750000 Pb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sm",
"Pb"
],
"chemical_system": "Pb-Sm",
"density": 9.022356756554045,
"density_atomic": 0.03164928055551604,
"volume": 505.5407174875392,
"volume_molar": 19.027733503883468,
"formula_full": "Sm10 Pb6",
"formula_reduced": "Sm5Pb3",
"formula_anonymous": "A3B5",
"energy": -78.20598859,
"energy_per_atom": -4.887874286875,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -78.20598859,
"band_gap": 0.0,
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"total_magnetization": 0.008555,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.206000Z",
"spacegroup": 193
},
{
"id": "mp-1210845",
"created_at": "2022-09-04T14:41:53.336888Z",
"structure_string": "Na12 Ga12 Ge12 O48\n1.0\n8.436831 0.000000 0.000000\n0.000000 9.018127 0.000000\n0.000000 8.942536 15.762925\nNa Ga Ge O\n12 12 12 48\ndirect\n0.469835 0.851922 0.913674 Na\n0.530165 0.148078 0.086326 Na\n0.969835 0.148078 0.586326 Na\n0.030165 0.851922 0.413674 Na\n0.974506 0.501378 0.752432 Na\n0.025494 0.498622 0.247568 Na\n0.474506 0.498622 0.747568 Na\n0.525494 0.501378 0.252432 Na\n0.032012 0.800499 0.930392 Na\n0.967988 0.199501 0.069608 Na\n0.532012 0.199501 0.569608 Na\n0.467988 0.800499 0.430392 Na\n0.671094 0.844792 0.590729 Ga\n0.328906 0.155208 0.409271 Ga\n0.171094 0.155208 0.909271 Ga\n0.828906 0.844792 0.090729 Ga\n0.172076 0.519725 0.579432 Ga\n0.827924 0.480275 0.420568 Ga\n0.672076 0.480275 0.920568 Ga\n0.327924 0.519725 0.079432 Ga\n0.172249 0.819954 0.761452 Ga\n0.827751 0.180046 0.238548 Ga\n0.672249 0.180046 0.738548 Ga\n0.327751 0.819954 0.261452 Ga\n0.283688 0.473243 0.919503 Ge\n0.716312 0.526757 0.080497 Ge\n0.783688 0.526757 0.580497 Ge\n0.216312 0.473243 0.419503 Ge\n0.281983 0.844078 0.591790 Ge\n0.718017 0.155922 0.408210 Ge\n0.781983 0.155922 0.908210 Ge\n0.218017 0.844078 0.091790 Ge\n0.784860 0.814895 0.764594 Ge\n0.215140 0.185105 0.235406 Ge\n0.284860 0.185105 0.735406 Ge\n0.715140 0.814895 0.264594 Ge\n0.276434 0.611520 0.808239 O\n0.723566 0.388480 0.191761 O\n0.776434 0.388480 0.691761 O\n0.223566 0.611520 0.308239 O\n0.240150 0.589533 0.972500 O\n0.759850 0.410467 0.027500 O\n0.740150 0.410467 0.527500 O\n0.259850 0.589533 0.472500 O\n0.146569 0.907990 0.645748 O\n0.853431 0.092010 0.354252 O\n0.646569 0.092010 0.854252 O\n0.353431 0.907990 0.145748 O\n0.264131 0.944728 0.981926 O\n0.735869 0.055272 0.018074 O\n0.764131 0.055272 0.518074 O\n0.235869 0.944728 0.481926 O\n0.149042 0.300588 0.953681 O\n0.850958 0.699412 0.046319 O\n0.649042 0.699412 0.546319 O\n0.350958 0.300588 0.453681 O\n0.258971 0.961958 0.798044 O\n0.741029 0.038042 0.201956 O\n0.758971 0.038042 0.701956 O\n0.241029 0.961958 0.298044 O\n0.772233 0.728928 0.695096 O\n0.227767 0.271072 0.304904 O\n0.272233 0.271072 0.804904 O\n0.727767 0.728928 0.195096 O\n0.149008 0.285583 0.649645 O\n0.850992 0.714417 0.350355 O\n0.649008 0.714417 0.850355 O\n0.350992 0.285583 0.149645 O\n0.470382 0.905108 0.610508 O\n0.529618 0.094892 0.389492 O\n0.970382 0.094892 0.889492 O\n0.029618 0.905108 0.110508 O\n0.973585 0.763228 0.813188 O\n0.026415 0.236772 0.186812 O\n0.473585 0.236772 0.686812 O\n0.526415 0.763228 0.313188 O\n0.281151 0.619699 0.632970 O\n0.718849 0.380301 0.367030 O\n0.781151 0.380301 0.867030 O\n0.218849 0.619699 0.132970 O\n0.973034 0.622964 0.553834 O\n0.026966 0.377036 0.446166 O\n0.473034 0.377036 0.946166 O\n0.526966 0.622964 0.053834 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
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"Ga",
"Ge",
"O"
],
"chemical_system": "Ga-Ge-Na-O",
"density": 3.810634378594548,
"density_atomic": 0.07004010364114173,
"volume": 1199.312902653362,
"volume_molar": 8.598132279836577,
"formula_full": "Na12 Ga12 Ge12 O48",
"formula_reduced": "NaGaGeO4",
"formula_anonymous": "ABCD4",
"energy": -532.17528677,
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"updated_at": "2021-11-28T01:35:30.793000Z",
"spacegroup": 14
},
{
"id": "mp-1251643",
"created_at": "2022-09-04T14:41:53.341870Z",
"structure_string": "Ca8 Al4 V4 O20\n1.0\n-4.530058 -5.332223 3.533208\n5.010029 -0.213395 6.525306\n-5.789661 5.372335 -0.160203\nCa Al V O\n8 4 4 20\ndirect\n0.226408 0.221154 0.870593 Ca\n0.726391 0.221247 0.370558 Ca\n0.226468 0.778827 0.149088 Ca\n0.726501 0.778943 0.649213 Ca\n0.261128 0.778848 0.617222 Ca\n0.761070 0.778947 0.117159 Ca\n0.260366 0.221160 0.337950 Ca\n0.760436 0.221239 0.838104 Ca\n0.440304 0.499970 0.766942 Al\n0.940298 0.499974 0.266945 Al\n0.016263 0.500015 0.689784 Al\n0.516262 0.500000 0.189780 Al\n0.500097 0.999803 0.000263 V\n0.999816 0.999748 0.999784 V\n0.000053 0.999811 0.500261 V\n0.499932 0.999726 0.499799 V\n0.239801 0.499912 0.638757 O\n0.739799 0.499952 0.138780 O\n0.388958 0.499976 0.989236 O\n0.888953 0.499981 0.489241 O\n0.975042 0.293510 0.694938 O\n0.474998 0.293472 0.194880 O\n0.549420 0.706296 0.828960 O\n0.049430 0.706255 0.328930 O\n0.548644 0.293128 0.622079 O\n0.048663 0.293103 0.122075 O\n0.976061 0.706239 0.902028 O\n0.476102 0.706223 0.402045 O\n0.495961 0.967726 0.233899 O\n0.995994 0.967771 0.733955 O\n0.249991 0.031963 0.514525 O\n0.750055 0.032316 0.014696 O\n0.998042 0.031704 0.265929 O\n0.498050 0.031666 0.765968 O\n0.250042 0.967685 0.980268 O\n0.749993 0.968048 0.480414 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"Al",
"V",
"O"
],
"chemical_system": "Al-Ca-O-V",
"density": 3.54121537768324,
"density_atomic": 0.08061763728426413,
"volume": 446.55240729843234,
"volume_molar": 7.470004037411141,
"formula_full": "Ca8 Al4 V4 O20",
"formula_reduced": "Ca2AlVO5",
"formula_anonymous": "ABC2D5",
"energy": -280.61063782,
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"band_gap": 1.6103999999999994,
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"total_magnetization": 4.7e-06,
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"updated_at": "2021-11-28T01:35:35.173000Z",
"spacegroup": 46
},
{
"id": "mp-1076197",
"created_at": "2022-09-04T14:41:53.349105Z",
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}