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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=1727",
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"results": [
{
"id": "mp-704943",
"created_at": "2022-09-04T14:40:12.191906Z",
"structure_string": "Li8 Mn12 Zn4 O32\n1.0\n8.302348 0.000000 0.000000\n0.000000 8.302348 0.000000\n0.000000 0.000000 8.302348\nLi Mn Zn O\n8 12 4 32\ndirect\n0.125057 0.874943 0.374943 Li\n0.249380 0.249380 0.249380 Li\n0.750620 0.749380 0.250620 Li\n0.874943 0.374943 0.125057 Li\n0.374943 0.125057 0.874943 Li\n0.250620 0.750620 0.749380 Li\n0.749380 0.250620 0.750620 Li\n0.625057 0.625057 0.625057 Li\n0.377801 0.876012 0.123042 Mn\n0.123988 0.623042 0.122199 Mn\n0.123042 0.377801 0.876012 Mn\n0.122199 0.123988 0.623042 Mn\n0.376958 0.622199 0.376012 Mn\n0.623988 0.876958 0.877801 Mn\n0.622199 0.376012 0.376958 Mn\n0.376012 0.376958 0.622199 Mn\n0.623042 0.122199 0.123988 Mn\n0.877801 0.623988 0.876958 Mn\n0.876958 0.877801 0.623988 Mn\n0.876012 0.123042 0.377801 Mn\n0.498706 0.998706 0.501294 Zn\n0.001294 0.001294 0.001294 Zn\n0.998706 0.501294 0.498706 Zn\n0.501294 0.498706 0.998706 Zn\n0.606036 0.601296 0.371155 O\n0.386694 0.386694 0.386694 O\n0.106036 0.898704 0.628845 O\n0.628845 0.106036 0.898704 O\n0.878770 0.648083 0.641461 O\n0.648083 0.641461 0.878770 O\n0.128845 0.393964 0.101296 O\n0.601296 0.371155 0.606036 O\n0.893964 0.398704 0.871155 O\n0.148083 0.858539 0.121230 O\n0.641461 0.878770 0.648083 O\n0.371155 0.606036 0.601296 O\n0.101296 0.128845 0.393964 O\n0.886694 0.113306 0.613306 O\n0.378770 0.851917 0.358539 O\n0.398704 0.871155 0.893964 O\n0.358539 0.378770 0.851917 O\n0.351917 0.141461 0.621230 O\n0.613306 0.886694 0.113306 O\n0.862905 0.862905 0.862905 O\n0.113306 0.613306 0.886694 O\n0.362905 0.637095 0.137095 O\n0.121230 0.148083 0.858539 O\n0.898704 0.628845 0.106036 O\n0.637095 0.137095 0.362905 O\n0.851917 0.358539 0.378770 O\n0.141461 0.621230 0.351917 O\n0.393964 0.101296 0.128845 O\n0.871155 0.893964 0.398704 O\n0.137095 0.362905 0.637095 O\n0.621230 0.351917 0.141461 O\n0.858539 0.121230 0.148083 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Zn",
"O"
],
"chemical_system": "Li-Mn-O-Zn",
"density": 4.318832392663504,
"density_atomic": 0.09785549705306588,
"volume": 572.2723984492344,
"volume_molar": 6.154115958078743,
"formula_full": "Li8 Mn12 Zn4 O32",
"formula_reduced": "Li2Mn3ZnO8",
"formula_anonymous": "AB2C3D8",
"energy": -401.60305266,
"energy_per_atom": -7.1714830832142855,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -359.60305266,
"band_gap": 1.2898999999999998,
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"is_magnetic": true,
"total_magnetization": 36.0048916,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.686000Z",
"spacegroup": 198
},
{
"id": "mp-1224614",
"created_at": "2022-09-04T14:40:14.265415Z",
"structure_string": "K8 Yb4 Ti4 P12 O48\n1.0\n10.298215 0.000000 0.000000\n0.000000 10.298215 0.000000\n0.000000 0.000000 10.298215\nK Yb Ti P O\n8 4 4 12 48\ndirect\n0.543903 0.956097 0.043903 K\n0.956097 0.043903 0.543903 K\n0.456097 0.456097 0.456097 K\n0.043903 0.543903 0.956097 K\n0.325779 0.174221 0.825779 K\n0.174221 0.825779 0.325779 K\n0.674221 0.674221 0.674221 K\n0.825779 0.325779 0.174221 K\n0.169167 0.169167 0.169167 Yb\n0.830833 0.669167 0.330833 Yb\n0.669167 0.330833 0.830833 Yb\n0.330833 0.830833 0.669167 Yb\n0.395423 0.604577 0.104577 Ti\n0.895423 0.895423 0.895423 Ti\n0.104577 0.395423 0.604577 Ti\n0.604577 0.104577 0.395423 Ti\n0.204410 0.864076 0.995505 P\n0.004495 0.704410 0.635924 P\n0.364076 0.504495 0.795590 P\n0.704410 0.635924 0.004495 P\n0.504495 0.795590 0.364076 P\n0.864076 0.995505 0.204410 P\n0.795590 0.364076 0.504495 P\n0.995505 0.204410 0.864076 P\n0.635924 0.004495 0.704410 P\n0.295590 0.135924 0.495505 P\n0.495505 0.295590 0.135924 P\n0.135924 0.495505 0.295590 P\n0.054459 0.835479 0.986798 O\n0.013202 0.554459 0.664521 O\n0.335479 0.513202 0.945541 O\n0.554459 0.664521 0.013202 O\n0.513202 0.945541 0.335479 O\n0.835479 0.986798 0.054459 O\n0.945541 0.335479 0.513202 O\n0.986798 0.054459 0.835479 O\n0.664521 0.013202 0.554459 O\n0.445541 0.164521 0.486798 O\n0.486798 0.445541 0.164521 O\n0.164521 0.486798 0.445541 O\n0.269659 0.734448 0.043611 O\n0.956389 0.769659 0.765552 O\n0.234448 0.456389 0.730341 O\n0.769659 0.765552 0.956389 O\n0.456389 0.730341 0.234448 O\n0.734448 0.043611 0.269659 O\n0.730341 0.234448 0.456389 O\n0.043611 0.269659 0.734448 O\n0.765552 0.956389 0.769659 O\n0.230341 0.265552 0.543611 O\n0.543611 0.230341 0.265552 O\n0.265552 0.543611 0.230341 O\n0.260373 0.902323 0.864356 O\n0.135644 0.760373 0.597677 O\n0.402323 0.635644 0.739627 O\n0.760373 0.597677 0.135644 O\n0.635644 0.739627 0.402323 O\n0.902323 0.864356 0.260373 O\n0.739627 0.402323 0.635644 O\n0.864356 0.260373 0.902323 O\n0.597677 0.135644 0.760373 O\n0.239627 0.097677 0.364356 O\n0.364356 0.239627 0.097677 O\n0.097677 0.364356 0.239627 O\n0.229282 0.966922 0.099515 O\n0.900485 0.729282 0.533078 O\n0.466922 0.400485 0.770718 O\n0.729282 0.533078 0.900485 O\n0.400485 0.770718 0.466922 O\n0.966922 0.099515 0.229282 O\n0.770718 0.466922 0.400485 O\n0.099515 0.229282 0.966922 O\n0.533078 0.900485 0.729282 O\n0.270718 0.033078 0.599515 O\n0.599515 0.270718 0.033078 O\n0.033078 0.599515 0.270718 O\n",
"nsites": 76,
"nelements": 5,
"elements": [
"K",
"Yb",
"Ti",
"P",
"O"
],
"chemical_system": "K-O-P-Ti-Yb",
"density": 3.551805900704428,
"density_atomic": 0.06958693829334056,
"volume": 1092.1589864986654,
"volume_molar": 8.65412519604461,
"formula_full": "K8 Yb4 Ti4 P12 O48",
"formula_reduced": "K2YbTi(PO4)3",
"formula_anonymous": "ABC2D3E12",
"energy": -571.93065876,
"energy_per_atom": -7.525403404736842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -538.95465876,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 4.0000642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.750000Z",
"spacegroup": 198
},
{
"id": "mp-8458",
"created_at": "2022-09-04T14:40:14.606209Z",
"structure_string": "Ba4 As4 Pt4\n1.0\n6.829255 0.000000 0.000000\n0.000000 6.829255 0.000000\n0.000000 0.000000 6.829255\nBa As Pt\n4 4 4\ndirect\n0.610121 0.389879 0.889879 Ba\n0.389879 0.889879 0.610121 Ba\n0.110121 0.110121 0.110121 Ba\n0.889879 0.610121 0.389879 Ba\n0.171194 0.328806 0.671194 As\n0.671194 0.171194 0.328806 As\n0.328806 0.671194 0.171194 As\n0.828806 0.828806 0.828806 As\n0.595574 0.904426 0.095574 Pt\n0.095574 0.595574 0.904426 Pt\n0.404426 0.404426 0.404426 Pt\n0.904426 0.095574 0.595574 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pt"
],
"chemical_system": "As-Ba-Pt",
"density": 8.494508792482721,
"density_atomic": 0.03767569375964508,
"volume": 318.50773808054873,
"volume_molar": 15.984153598918974,
"formula_full": "Ba4 As4 Pt4",
"formula_reduced": "BaAsPt",
"formula_anonymous": "ABC",
"energy": -62.54059751,
"energy_per_atom": -5.2117164591666665,
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"updated_at": "2021-11-28T01:34:51.543000Z",
"spacegroup": 198
},
{
"id": "mp-317",
"created_at": "2022-09-04T14:40:19.075205Z",
"structure_string": "Sn4 Rh4\n1.0\n5.213012 0.000000 0.000000\n0.000000 5.213012 0.000000\n0.000000 0.000000 5.213012\nSn Rh\n4 4\ndirect\n0.839791 0.839791 0.839791 Sn\n0.660209 0.160209 0.339791 Sn\n0.339791 0.660209 0.160209 Sn\n0.160209 0.339791 0.660209 Sn\n0.143523 0.143523 0.143523 Rh\n0.356477 0.856477 0.643523 Rh\n0.643523 0.356477 0.856477 Rh\n0.856477 0.643523 0.356477 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn",
"density": 10.390657912404716,
"density_atomic": 0.05647078345976089,
"volume": 141.66617691253603,
"volume_molar": 10.664170728729427,
"formula_full": "Sn4 Rh4",
"formula_reduced": "SnRh",
"formula_anonymous": "AB",
"energy": -49.19871731,
"energy_per_atom": -6.14983966375,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:02.164000Z",
"spacegroup": 198
},
{
"id": "mp-12651",
"created_at": "2022-09-04T14:40:15.616635Z",
"structure_string": "Mg4 Pt4\n1.0\n5.092573 0.000000 0.000000\n0.000000 5.092573 0.000000\n0.000000 0.000000 5.092573\nMg Pt\n4 4\ndirect\n0.155732 0.344268 0.655732 Mg\n0.344268 0.655732 0.155732 Mg\n0.655732 0.155732 0.344268 Mg\n0.844268 0.844268 0.844268 Mg\n0.852552 0.647448 0.352552 Pt\n0.647448 0.352552 0.852552 Pt\n0.352552 0.852552 0.647448 Pt\n0.147448 0.147448 0.147448 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Pt"
],
"chemical_system": "Mg-Pt",
"density": 11.033470747228266,
"density_atomic": 0.0605728764287298,
"volume": 132.07231473335793,
"volume_molar": 9.941975872791291,
"formula_full": "Mg4 Pt4",
"formula_reduced": "MgPt",
"formula_anonymous": "AB",
"energy": -36.37814384,
"energy_per_atom": -4.54726798,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:54.991000Z",
"spacegroup": 198
},
{
"id": "mp-1212188",
"created_at": "2022-09-04T14:40:16.291111Z",
"structure_string": "K8 Be12 Ni8 F48\n1.0\n10.032740 0.000000 0.000000\n0.000000 10.032740 0.000000\n0.000000 0.000000 10.032740\nK Be Ni F\n8 12 8 48\ndirect\n0.049712 0.049712 0.049712 K\n0.450288 0.950288 0.549712 K\n0.950288 0.549712 0.450288 K\n0.549712 0.450288 0.950288 K\n0.815656 0.815656 0.815656 K\n0.684344 0.184344 0.315656 K\n0.184344 0.315656 0.684344 K\n0.315656 0.684344 0.184344 K\n0.020097 0.213940 0.375610 Be\n0.479903 0.786060 0.875610 Be\n0.979903 0.713940 0.124390 Be\n0.375610 0.020097 0.213940 Be\n0.520097 0.286060 0.624390 Be\n0.875610 0.479903 0.786060 Be\n0.124390 0.979903 0.713940 Be\n0.624390 0.520097 0.286060 Be\n0.213940 0.375610 0.020097 Be\n0.713940 0.124390 0.979903 Be\n0.286060 0.624390 0.520097 Be\n0.786060 0.875610 0.479903 Be\n0.335795 0.335795 0.335795 Ni\n0.164205 0.664205 0.835795 Ni\n0.664205 0.835795 0.164205 Ni\n0.835795 0.164205 0.664205 Ni\n0.599230 0.599230 0.599230 Ni\n0.900770 0.400770 0.099230 Ni\n0.400770 0.099230 0.900770 Ni\n0.099230 0.900770 0.400770 Ni\n0.011968 0.067369 0.327345 F\n0.488032 0.932631 0.827345 F\n0.988032 0.567369 0.172655 F\n0.327345 0.011968 0.067369 F\n0.511968 0.432631 0.672655 F\n0.827345 0.488032 0.932631 F\n0.172655 0.988032 0.567369 F\n0.672655 0.511968 0.432631 F\n0.067369 0.327345 0.011968 F\n0.567369 0.172655 0.988032 F\n0.432631 0.672655 0.511968 F\n0.932631 0.827345 0.488032 F\n0.265338 0.495712 0.436442 F\n0.234662 0.504288 0.936442 F\n0.734662 0.995712 0.063558 F\n0.436442 0.265338 0.495712 F\n0.765338 0.004288 0.563558 F\n0.936442 0.234662 0.504288 F\n0.063558 0.734662 0.995712 F\n0.563558 0.765338 0.004288 F\n0.495712 0.436442 0.265338 F\n0.995712 0.063558 0.734662 F\n0.004288 0.563558 0.765338 F\n0.504288 0.936442 0.234662 F\n0.046964 0.806711 0.229319 F\n0.453036 0.193289 0.729319 F\n0.953036 0.306711 0.270681 F\n0.229319 0.046964 0.806711 F\n0.546964 0.693289 0.770681 F\n0.729319 0.453036 0.193289 F\n0.270681 0.953036 0.306711 F\n0.770681 0.546964 0.693289 F\n0.806711 0.229319 0.046964 F\n0.306711 0.270681 0.953036 F\n0.693289 0.770681 0.546964 F\n0.193289 0.729319 0.453036 F\n0.164947 0.255160 0.404600 F\n0.335053 0.744840 0.904600 F\n0.835053 0.755160 0.095400 F\n0.404600 0.164947 0.255160 F\n0.664947 0.244840 0.595400 F\n0.904600 0.335053 0.744840 F\n0.095400 0.835053 0.755160 F\n0.595400 0.664947 0.244840 F\n0.255160 0.404600 0.164947 F\n0.755160 0.095400 0.835053 F\n0.244840 0.595400 0.664947 F\n0.744840 0.904600 0.335053 F\n",
"nsites": 76,
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"elements": [
"K",
"Be",
"Ni",
"F"
],
"chemical_system": "Be-F-K-Ni",
"density": 2.9637554079610435,
"density_atomic": 0.07525838935740894,
"volume": 1009.8541923222549,
"volume_molar": 8.001952754264117,
"formula_full": "K8 Be12 Ni8 F48",
"formula_reduced": "K2Be3Ni2F12",
"formula_anonymous": "A2B2C3D12",
"energy": -426.3538002,
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"updated_at": "2021-11-28T01:34:49.619000Z",
"spacegroup": 198
},
{
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"total_magnetization": 40.2661294,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.025000Z",
"spacegroup": 198
}
]
}