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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=11489",
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"results": [
{
"id": "mp-774622",
"created_at": "2022-09-04T14:46:04.145394Z",
"structure_string": "Li4 V2 Cr3 Sb3 O16\n1.0\n6.078050 0.000000 0.000000\n-2.986338 5.400916 0.000000\n-0.053433 -0.121804 9.733217\nLi V Cr Sb O\n4 2 3 3 16\ndirect\n0.321545 0.650040 0.901561 Li\n0.993007 0.019195 0.001405 Li\n0.991331 0.020059 0.491724 Li\n0.663751 0.331650 0.380645 Li\n0.354015 0.677568 0.481849 V\n0.674391 0.317333 0.990969 V\n0.170712 0.338831 0.216028 Cr\n0.663065 0.829618 0.213023 Cr\n0.828673 0.168021 0.712769 Cr\n0.168573 0.830152 0.212028 Sb\n0.341498 0.171487 0.715089 Sb\n0.832968 0.663798 0.713738 Sb\n0.171174 0.329884 0.603830 O\n0.485443 0.527693 0.335155 O\n0.330857 0.662076 0.106533 O\n0.003245 0.002641 0.309276 O\n0.015203 0.026206 0.816025 O\n0.674564 0.859316 0.588555 O\n0.045948 0.529760 0.338751 O\n0.478502 0.959133 0.335218 O\n0.832926 0.162516 0.108141 O\n0.180490 0.861087 0.593642 O\n0.515832 0.027613 0.833963 O\n0.952071 0.450874 0.850756 O\n0.649290 0.302277 0.595768 O\n0.320016 0.150215 0.104020 O\n0.492579 0.447204 0.858587 O\n0.848031 0.683456 0.098790 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Li-O-Sb-V",
"density": 4.713278820192965,
"density_atomic": 0.08763345496360372,
"volume": 319.5126793942915,
"volume_molar": 6.871965463989911,
"formula_full": "Li4 V2 Cr3 Sb3 O16",
"formula_reduced": "Li4V2Cr3Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -207.76774194,
"energy_per_atom": -7.420276497857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -187.37874194,
"band_gap": 0.2214999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.9997119,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.590000Z",
"spacegroup": 1
},
{
"id": "mp-1664776",
"created_at": "2022-09-04T14:45:57.796713Z",
"structure_string": "Li4 Mn3 Nb3 Sb2 O16\n1.0\n6.323601 0.131283 -0.011541\n-3.049231 5.348405 0.018383\n-0.028690 0.019274 10.552705\nLi Mn Nb Sb O\n4 3 3 2 16\ndirect\n0.337323 0.674116 0.889116 Li\n0.988644 0.989731 0.003072 Li\n0.999707 0.996431 0.486417 Li\n0.693859 0.351146 0.393782 Li\n0.167213 0.831267 0.216927 Mn\n0.161953 0.335707 0.216863 Mn\n0.328327 0.166340 0.705579 Mn\n0.648214 0.819504 0.233105 Nb\n0.821424 0.658944 0.718452 Nb\n0.821671 0.161442 0.716916 Nb\n0.288592 0.647223 0.497885 Sb\n0.645482 0.316063 0.023935 Sb\n0.129541 0.824143 0.596007 O\n0.053316 0.546407 0.345473 O\n0.347564 0.697669 0.119241 O\n0.992938 0.974532 0.305473 O\n0.988470 0.993190 0.817100 O\n0.123888 0.305437 0.591146 O\n0.538691 0.995738 0.336116 O\n0.514156 0.524414 0.330393 O\n0.307752 0.136735 0.108298 O\n0.724417 0.864549 0.607163 O\n0.528408 0.521018 0.807771 O\n0.529811 0.013618 0.808436 O\n0.696742 0.352198 0.606689 O\n0.816493 0.664218 0.105139 O\n0.980394 0.487693 0.815907 O\n0.825007 0.150824 0.105436 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Nb",
"Sb",
"O"
],
"chemical_system": "Li-Mn-Nb-O-Sb",
"density": 4.463994596122181,
"density_atomic": 0.07753528595995937,
"volume": 361.1259009795838,
"volume_molar": 7.766967884931698,
"formula_full": "Li4 Mn3 Nb3 Sb2 O16",
"formula_reduced": "Li4Mn3Nb3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -220.20543202,
"energy_per_atom": -7.864479715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.20943202,
"band_gap": 0.6898,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.999865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.642000Z",
"spacegroup": 1
},
{
"id": "mp-771073",
"created_at": "2022-09-04T14:45:53.731020Z",
"structure_string": "Li4 Mn3 Co3 Cu2 O16\n1.0\n2.868969 4.972155 0.000000\n-2.868969 4.972155 0.000000\n0.000000 0.024767 9.549548\nLi Mn Co Cu O\n4 3 3 2 16\ndirect\n0.664916 0.664916 0.899718 Li\n0.004441 0.004441 0.998062 Li\n0.005382 0.005382 0.493826 Li\n0.331706 0.331706 0.394330 Li\n0.830803 0.830803 0.214185 Mn\n0.661718 0.169484 0.715525 Mn\n0.169484 0.661718 0.715525 Mn\n0.830609 0.338182 0.213321 Co\n0.338182 0.830609 0.213321 Co\n0.168784 0.168784 0.712232 Co\n0.666883 0.666883 0.483415 Cu\n0.332382 0.332382 0.996681 Cu\n0.843616 0.323860 0.607415 O\n0.516277 0.516277 0.324988 O\n0.667119 0.667119 0.108587 O\n0.999894 0.999894 0.308665 O\n0.001517 0.001517 0.811360 O\n0.323860 0.843616 0.607415 O\n0.961418 0.515185 0.333521 O\n0.515185 0.961418 0.333521 O\n0.159093 0.159093 0.107897 O\n0.841854 0.841854 0.605146 O\n0.475932 0.036145 0.831356 O\n0.036145 0.475932 0.831356 O\n0.334018 0.334018 0.608072 O\n0.680750 0.160034 0.102770 O\n0.482241 0.482241 0.833226 O\n0.160034 0.680750 0.102770 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-Li-Mn-O",
"density": 4.586160600225979,
"density_atomic": 0.10277197566005178,
"volume": 272.44781293898785,
"volume_molar": 5.8597109974026225,
"formula_full": "Li4 Mn3 Co3 Cu2 O16",
"formula_reduced": "Li4Mn3Co3(CuO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -183.74353084,
"energy_per_atom": -6.562268958571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.83353084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.542351,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.918000Z",
"spacegroup": 8
},
{
"id": "mp-761969",
"created_at": "2022-09-04T14:46:03.036811Z",
"structure_string": "Li4 Fe3 Ni3 Sb2 O16\n1.0\n-5.907947 0.000000 0.000000\n2.922821 5.143717 0.000000\n-0.020842 -0.122379 -9.703019\nLi Fe Ni Sb O\n4 3 3 2 16\ndirect\n0.667623 0.332204 0.901729 Li\n0.996204 0.990057 0.988072 Li\n0.998463 0.999140 0.491102 Li\n0.332615 0.670678 0.404628 Li\n0.340094 0.171617 0.212917 Fe\n0.832784 0.172047 0.214116 Fe\n0.166181 0.337373 0.715091 Fe\n0.829584 0.659387 0.213490 Ni\n0.168801 0.829409 0.712826 Ni\n0.659445 0.825988 0.712630 Ni\n0.664665 0.335046 0.488074 Sb\n0.337613 0.668664 0.984086 Sb\n0.330989 0.167501 0.596173 O\n0.519105 0.034647 0.346018 O\n0.667394 0.332324 0.108462 O\n0.999447 0.997603 0.302173 O\n0.992465 0.987840 0.798454 O\n0.838964 0.176401 0.594401 O\n0.509519 0.477891 0.348836 O\n0.964472 0.482415 0.347725 O\n0.167136 0.335979 0.095151 O\n0.831910 0.676699 0.593714 O\n0.033680 0.518583 0.846065 O\n0.476163 0.504827 0.847748 O\n0.337711 0.674717 0.615169 O\n0.173780 0.840093 0.092612 O\n0.491999 0.963233 0.842047 O\n0.670891 0.837636 0.094331 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"Sb",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Sb",
"density": 4.9044652649492075,
"density_atomic": 0.09495929739789352,
"volume": 294.8631757738882,
"volume_molar": 6.3418126766106315,
"formula_full": "Li4 Fe3 Ni3 Sb2 O16",
"formula_reduced": "Li4Fe3Ni3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -186.34120341,
"energy_per_atom": -6.655042978928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -160.95820341,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0006429,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.423000Z",
"spacegroup": 1
},
{
"id": "mp-757393",
"created_at": "2022-09-04T14:46:03.746505Z",
"structure_string": "Li4 Mn3 Cu3 Te2 O16\n1.0\n2.970696 5.184505 0.000000\n-2.970696 5.184505 0.000000\n0.000000 0.474776 9.888216\nLi Mn Cu Te O\n4 3 3 2 16\ndirect\n0.668030 0.668030 0.917825 Li\n0.997991 0.997991 0.984124 Li\n0.999666 0.999666 0.477893 Li\n0.341448 0.341448 0.411402 Li\n0.828296 0.828296 0.212293 Mn\n0.662040 0.170024 0.711564 Mn\n0.170024 0.662040 0.711564 Mn\n0.830401 0.337014 0.209862 Cu\n0.337014 0.830401 0.209862 Cu\n0.169855 0.169855 0.710637 Cu\n0.669426 0.669426 0.480388 Te\n0.330025 0.330025 0.983221 Te\n0.826594 0.335454 0.584690 O\n0.526015 0.526015 0.353090 O\n0.670484 0.670484 0.121624 O\n0.994014 0.994014 0.289847 O\n0.995711 0.995711 0.793641 O\n0.335454 0.826594 0.584690 O\n0.974243 0.532338 0.358783 O\n0.532338 0.974243 0.358783 O\n0.160665 0.160665 0.083402 O\n0.822950 0.822950 0.592820 O\n0.490899 0.037340 0.854220 O\n0.037340 0.490899 0.854220 O\n0.340558 0.340558 0.619595 O\n0.647686 0.159268 0.089151 O\n0.485488 0.485488 0.859410 O\n0.159268 0.647686 0.089151 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-Li-Mn-O-Te",
"density": 4.876077636176034,
"density_atomic": 0.09192731635987657,
"volume": 304.5884630242631,
"volume_molar": 6.550980707872027,
"formula_full": "Li4 Mn3 Cu3 Te2 O16",
"formula_reduced": "Li4Mn3Cu3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -180.69610008,
"energy_per_atom": -6.453432145714286,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -164.70010008,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 14.4375803,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.196000Z",
"spacegroup": 8
},
{
"id": "mp-754975",
"created_at": "2022-09-04T14:46:07.091047Z",
"structure_string": "Li4 Cr2 Ni3 Te3 O16\n1.0\n6.109677 0.000000 0.000000\n-2.951056 -5.365266 0.000000\n-0.222911 0.019716 -9.642399\nLi Cr Ni Te O\n4 2 3 3 16\ndirect\n0.342556 0.662871 0.127662 Li\n0.024953 0.975899 0.015479 Li\n0.009742 0.978720 0.493482 Li\n0.684838 0.336191 0.594061 Li\n0.320949 0.680418 0.502590 Cr\n0.641599 0.331303 0.027120 Cr\n0.169827 0.833846 0.783549 Ni\n0.827360 0.663474 0.285102 Ni\n0.337012 0.173256 0.286993 Ni\n0.659170 0.830365 0.785738 Te\n0.164381 0.339708 0.787743 Te\n0.828538 0.173102 0.287660 Te\n0.674697 0.862985 0.399417 O\n0.504547 0.538117 0.657910 O\n0.363028 0.694231 0.901415 O\n0.970925 0.980249 0.682359 O\n0.987182 0.011490 0.194166 O\n0.142058 0.327944 0.402779 O\n0.495153 0.962928 0.661065 O\n0.046168 0.532715 0.649415 O\n0.808315 0.133661 0.898963 O\n0.169584 0.837413 0.398091 O\n0.955321 0.458912 0.155909 O\n0.534815 0.041339 0.159156 O\n0.676763 0.328362 0.394361 O\n0.819355 0.677781 0.897347 O\n0.517603 0.477409 0.156359 O\n0.323859 0.155611 0.906272 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Ni",
"Te",
"O"
],
"chemical_system": "Cr-Li-Ni-O-Te",
"density": 4.973169771562139,
"density_atomic": 0.08858565964391381,
"volume": 316.07824689177795,
"volume_molar": 6.798098906986855,
"formula_full": "Li4 Cr2 Ni3 Te3 O16",
"formula_reduced": "Li4Cr2Ni3Te3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -181.62117209,
"energy_per_atom": -6.486470431785714,
"energy_above_hull": null,
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"energy_uncorrected": -159.00817209,
"band_gap": 0.6059000000000001,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.855000Z",
"spacegroup": 1
},
{
"id": "mp-1197762",
"created_at": "2022-09-04T14:40:56.470068Z",
"structure_string": "Na4 Y6 Te8 Cl6 O24\n1.0\n2.797794 12.072564 0.000000\n-2.797794 12.072564 0.000000\n0.000000 11.666753 12.122966\nNa Y Te Cl O\n4 6 8 6 24\ndirect\n0.108371 0.560370 0.574117 Na\n0.439630 0.891629 0.925883 Na\n0.891629 0.439630 0.425883 Na\n0.560370 0.108371 0.074117 Na\n0.249379 0.750621 0.250000 Y\n0.750621 0.249379 0.750000 Y\n0.249554 0.748352 0.585934 Y\n0.251648 0.750446 0.914066 Y\n0.750446 0.251648 0.414066 Y\n0.748352 0.249554 0.085934 Y\n0.665297 0.063936 0.403552 Te\n0.936064 0.334703 0.096448 Te\n0.334703 0.936064 0.596448 Te\n0.063936 0.665297 0.903552 Te\n0.162631 0.572077 0.196678 Te\n0.427923 0.837369 0.303322 Te\n0.837369 0.427923 0.803322 Te\n0.572077 0.162631 0.696678 Te\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.000000 Cl\n0.003409 0.496943 0.168720 Cl\n0.503057 0.996591 0.331280 Cl\n0.996591 0.503057 0.831280 Cl\n0.496944 0.003409 0.668720 Cl\n0.478221 0.375483 0.384774 O\n0.624517 0.521779 0.115226 O\n0.521779 0.624517 0.615226 O\n0.375483 0.478221 0.884774 O\n0.003358 0.854074 0.757036 O\n0.145926 0.996642 0.742964 O\n0.996642 0.145926 0.242964 O\n0.854074 0.003358 0.257036 O\n0.930768 0.896906 0.426611 O\n0.103094 0.069232 0.073389 O\n0.069232 0.103094 0.573389 O\n0.896906 0.930768 0.926611 O\n0.983135 0.878483 0.090436 O\n0.121517 0.016865 0.409564 O\n0.016865 0.121517 0.909564 O\n0.878483 0.983135 0.590436 O\n0.353228 0.513781 0.211040 O\n0.486219 0.646772 0.288960 O\n0.646772 0.486219 0.788960 O\n0.513781 0.353228 0.711040 O\n0.400001 0.431189 0.576715 O\n0.568811 0.599999 0.923285 O\n0.599999 0.568811 0.423285 O\n0.431189 0.400001 0.076715 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Y",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O-Te-Y",
"density": 4.547832325961465,
"density_atomic": 0.05861207594996146,
"volume": 818.9438647588383,
"volume_molar": 10.274573391908602,
"formula_full": "Na4 Y6 Te8 Cl6 O24",
"formula_reduced": "Na2Y3Te4(ClO4)3",
"formula_anonymous": "A2B3C3D4E12",
"energy": -316.82148987000005,
"energy_per_atom": -6.600447705625001,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -296.64948987,
"band_gap": 3.6276,
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"updated_at": "2021-11-28T01:34:57.766000Z",
"spacegroup": 15
},
{
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{
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{
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{
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}